USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 GLN : amide:sc= -2.18 K(o=-4.1,f=-1.2) USER MOD Set 1.2: A 65 GLN : amide:sc= -1.96 K(o=-4.1,f=-2.1) USER MOD Set 2.1: A 59 LYS NZ :NH3+ 169:sc= 0.124 (180deg=0.0838) USER MOD Set 2.2: A 60 TYR OH : rot -99:sc= 1.08 USER MOD Set 3.1: A 33 HIS : no HD1:sc= -7.93! C(o=-12!,f=-15!) USER MOD Set 3.2: A 36 MET CE :methyl -122:sc= -3.92 (180deg=0) USER MOD Set 4.1: A 28 LYS NZ :NH3+ -159:sc= -0.901 (180deg=-0.747) USER MOD Set 4.2: A 31 LYS NZ :NH3+ -149:sc= -0.179 (180deg=0) USER MOD Set 5.1: A 12 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.0407) USER MOD Set 5.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= -0.163 (180deg=-0.862) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 135:sc= 0.279 (180deg=4.62e-05) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-4.1!) USER MOD Single : A 13 LYS NZ :NH3+ -106:sc= 0 (180deg=-1.2) USER MOD Single : A 16 THR OG1 : rot -101:sc= 0.707! USER MOD Single : A 18 TYR OH : rot 180:sc= -0.532 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 1.69 (180deg=1.39) USER MOD Single : A 29 TYR OH : rot 130:sc= -0.727 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.412 K(o=-0.41,f=-5.7!) USER MOD Single : A 42 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -170:sc= -0.885 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0114) USER MOD Single : A 49 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= -0.0514 (180deg=-0.305) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -7.68! C(o=-7.7!,f=-11!) USER MOD Single : A 82 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.072) USER MOD Single : A 87 GLN : amide:sc= -0.323 K(o=-0.32,f=-3.5!) USER MOD Single : A 88 ASN : amide:sc= -0.904 K(o=-0.9,f=-3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.809 21.452 -8.406 1.00 0.00 N ATOM 2 CA MET A 1 -1.949 21.189 -7.487 1.00 0.00 C ATOM 3 C MET A 1 -3.188 20.745 -8.257 1.00 0.00 C ATOM 4 O MET A 1 -4.317 20.995 -7.836 1.00 0.00 O ATOM 5 CB MET A 1 -2.247 22.468 -6.700 1.00 0.00 C ATOM 6 CG MET A 1 -2.603 23.655 -7.580 1.00 0.00 C ATOM 7 SD MET A 1 -4.316 24.186 -7.375 1.00 0.00 S ATOM 8 CE MET A 1 -4.096 25.942 -7.100 1.00 0.00 C ATOM 0 H1 MET A 1 -0.188 22.176 -7.991 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.270 20.574 -8.550 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.171 21.790 -9.320 1.00 0.00 H new ATOM 0 HA MET A 1 -1.679 20.382 -6.806 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.070 22.277 -6.011 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.377 22.723 -6.095 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.939 24.487 -7.347 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.431 23.393 -8.624 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.069 26.412 -6.956 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.483 26.097 -6.212 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.603 26.387 -7.964 1.00 0.00 H new ATOM 20 N LYS A 2 -2.970 20.082 -9.389 1.00 0.00 N ATOM 21 CA LYS A 2 -4.067 19.601 -10.220 1.00 0.00 C ATOM 22 C LYS A 2 -3.643 18.372 -11.018 1.00 0.00 C ATOM 23 O LYS A 2 -2.454 18.148 -11.242 1.00 0.00 O ATOM 24 CB LYS A 2 -4.540 20.704 -11.168 1.00 0.00 C ATOM 25 CG LYS A 2 -5.651 21.567 -10.590 1.00 0.00 C ATOM 26 CD LYS A 2 -6.417 22.294 -11.684 1.00 0.00 C ATOM 27 CE LYS A 2 -7.696 21.561 -12.055 1.00 0.00 C ATOM 28 NZ LYS A 2 -7.595 20.906 -13.389 1.00 0.00 N ATOM 0 H LYS A 2 -2.041 19.866 -9.752 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.892 19.320 -9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.693 21.340 -11.424 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.889 20.250 -12.095 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.337 20.943 -10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.226 22.293 -9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -6.659 23.303 -11.350 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.785 22.393 -12.567 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.916 20.809 -11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.529 22.264 -12.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.487 20.417 -13.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.410 21.626 -14.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.816 20.217 -13.379 1.00 0.00 H new ATOM 42 N LYS A 3 -4.626 17.579 -11.445 1.00 0.00 N ATOM 43 CA LYS A 3 -4.366 16.367 -12.222 1.00 0.00 C ATOM 44 C LYS A 3 -3.190 15.580 -11.647 1.00 0.00 C ATOM 45 O LYS A 3 -2.038 15.802 -12.023 1.00 0.00 O ATOM 46 CB LYS A 3 -4.099 16.714 -13.691 1.00 0.00 C ATOM 47 CG LYS A 3 -3.086 17.832 -13.885 1.00 0.00 C ATOM 48 CD LYS A 3 -2.776 18.052 -15.358 1.00 0.00 C ATOM 49 CE LYS A 3 -3.498 19.274 -15.905 1.00 0.00 C ATOM 50 NZ LYS A 3 -4.627 18.899 -16.801 1.00 0.00 N ATOM 0 H LYS A 3 -5.614 17.756 -11.265 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.256 15.740 -12.163 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.744 15.822 -14.206 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.038 17.002 -14.163 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.473 18.754 -13.451 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.167 17.589 -13.351 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.701 18.174 -15.490 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.069 17.170 -15.928 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.876 19.873 -15.077 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.792 19.898 -16.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.092 19.760 -17.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.264 18.349 -17.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.314 18.325 -16.272 1.00 0.00 H new ATOM 64 N LEU A 4 -3.488 14.663 -10.732 1.00 0.00 N ATOM 65 CA LEU A 4 -2.457 13.847 -10.103 1.00 0.00 C ATOM 66 C LEU A 4 -1.477 14.720 -9.324 1.00 0.00 C ATOM 67 O LEU A 4 -0.423 15.099 -9.837 1.00 0.00 O ATOM 68 CB LEU A 4 -1.710 13.025 -11.158 1.00 0.00 C ATOM 69 CG LEU A 4 -1.595 11.529 -10.849 1.00 0.00 C ATOM 70 CD1 LEU A 4 -2.412 10.712 -11.839 1.00 0.00 C ATOM 71 CD2 LEU A 4 -0.139 11.088 -10.869 1.00 0.00 C ATOM 0 H LEU A 4 -4.436 14.467 -10.410 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.941 13.165 -9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.216 13.145 -12.116 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.707 13.435 -11.274 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.993 11.356 -9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.317 9.652 -11.602 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.460 11.005 -11.776 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.045 10.892 -12.850 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.078 10.023 -10.647 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.285 11.278 -11.855 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.421 11.647 -10.119 1.00 0.00 H new ATOM 83 N LYS A 5 -1.835 15.041 -8.085 1.00 0.00 N ATOM 84 CA LYS A 5 -0.989 15.874 -7.238 1.00 0.00 C ATOM 85 C LYS A 5 0.195 15.076 -6.695 1.00 0.00 C ATOM 86 O LYS A 5 1.334 15.277 -7.117 1.00 0.00 O ATOM 87 CB LYS A 5 -1.808 16.459 -6.085 1.00 0.00 C ATOM 88 CG LYS A 5 -3.118 17.091 -6.531 1.00 0.00 C ATOM 89 CD LYS A 5 -4.264 16.717 -5.604 1.00 0.00 C ATOM 90 CE LYS A 5 -5.486 17.586 -5.852 1.00 0.00 C ATOM 91 NZ LYS A 5 -6.223 17.883 -4.593 1.00 0.00 N ATOM 0 H LYS A 5 -2.704 14.737 -7.646 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.598 16.691 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.021 15.670 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.209 17.209 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.009 18.175 -6.557 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.351 16.770 -7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.525 15.669 -5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.945 16.823 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.177 18.520 -6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.153 17.083 -6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.472 18.892 -4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.091 17.311 -4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.622 17.653 -3.776 1.00 0.00 H new ATOM 105 N LYS A 6 -0.079 14.170 -5.759 1.00 0.00 N ATOM 106 CA LYS A 6 0.967 13.343 -5.165 1.00 0.00 C ATOM 107 C LYS A 6 2.112 14.200 -4.626 1.00 0.00 C ATOM 108 O LYS A 6 3.276 13.982 -4.960 1.00 0.00 O ATOM 109 CB LYS A 6 1.500 12.347 -6.198 1.00 0.00 C ATOM 110 CG LYS A 6 2.586 11.428 -5.660 1.00 0.00 C ATOM 111 CD LYS A 6 2.499 10.041 -6.275 1.00 0.00 C ATOM 112 CE LYS A 6 2.781 10.073 -7.769 1.00 0.00 C ATOM 113 NZ LYS A 6 4.091 9.447 -8.099 1.00 0.00 N ATOM 0 H LYS A 6 -1.015 13.991 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 6 0.530 12.797 -4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.672 11.740 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.894 12.899 -7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.565 11.859 -5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.496 11.353 -4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.212 9.379 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.506 9.626 -6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.985 9.551 -8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.774 11.106 -8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.247 9.488 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.853 9.960 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.089 8.454 -7.789 1.00 0.00 H new ATOM 127 N HIS A 7 1.771 15.176 -3.790 1.00 0.00 N ATOM 128 CA HIS A 7 2.769 16.065 -3.204 1.00 0.00 C ATOM 129 C HIS A 7 2.116 17.055 -2.238 1.00 0.00 C ATOM 130 O HIS A 7 2.416 17.055 -1.045 1.00 0.00 O ATOM 131 CB HIS A 7 3.525 16.818 -4.303 1.00 0.00 C ATOM 132 CG HIS A 7 4.951 16.387 -4.454 1.00 0.00 C ATOM 133 ND1 HIS A 7 5.410 15.148 -4.055 1.00 0.00 N ATOM 134 CD2 HIS A 7 6.023 17.037 -4.965 1.00 0.00 C ATOM 135 CE1 HIS A 7 6.703 15.057 -4.314 1.00 0.00 C ATOM 136 NE2 HIS A 7 7.099 16.190 -4.866 1.00 0.00 N ATOM 0 H HIS A 7 0.812 15.371 -3.503 1.00 0.00 H new ATOM 0 HA HIS A 7 3.479 15.456 -2.644 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.008 16.674 -5.252 1.00 0.00 H new ATOM 0 HB3 HIS A 7 3.498 17.886 -4.085 1.00 0.00 H new ATOM 0 HD2 HIS A 7 6.030 18.036 -5.375 1.00 0.00 H new ATOM 0 HE1 HIS A 7 7.329 14.201 -4.109 1.00 0.00 H new ATOM 0 HE2 HIS A 7 8.050 16.401 -5.169 1.00 0.00 H new ATOM 145 N PRO A 8 1.212 17.912 -2.743 1.00 0.00 N ATOM 146 CA PRO A 8 0.518 18.905 -1.920 1.00 0.00 C ATOM 147 C PRO A 8 -0.643 18.308 -1.126 1.00 0.00 C ATOM 148 O PRO A 8 -1.332 19.020 -0.395 1.00 0.00 O ATOM 149 CB PRO A 8 -0.002 19.897 -2.956 1.00 0.00 C ATOM 150 CG PRO A 8 -0.258 19.064 -4.165 1.00 0.00 C ATOM 151 CD PRO A 8 0.792 17.984 -4.158 1.00 0.00 C ATOM 0 HA PRO A 8 1.173 19.342 -1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.911 20.391 -2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.729 20.680 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.259 18.634 -4.137 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.194 19.664 -5.073 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.390 17.032 -4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.628 18.234 -4.811 1.00 0.00 H new ATOM 159 N ASP A 9 -0.863 17.004 -1.278 1.00 0.00 N ATOM 160 CA ASP A 9 -1.949 16.328 -0.578 1.00 0.00 C ATOM 161 C ASP A 9 -1.411 15.311 0.426 1.00 0.00 C ATOM 162 O ASP A 9 -0.213 15.275 0.709 1.00 0.00 O ATOM 163 CB ASP A 9 -2.876 15.636 -1.581 1.00 0.00 C ATOM 164 CG ASP A 9 -4.247 16.283 -1.643 1.00 0.00 C ATOM 165 OD1 ASP A 9 -4.344 17.422 -2.144 1.00 0.00 O ATOM 166 OD2 ASP A 9 -5.223 15.648 -1.190 1.00 0.00 O ATOM 0 H ASP A 9 -0.305 16.397 -1.878 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.514 17.081 -0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.420 15.662 -2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.985 14.587 -1.307 1.00 0.00 H new ATOM 171 N PHE A 10 -2.309 14.487 0.958 1.00 0.00 N ATOM 172 CA PHE A 10 -1.935 13.468 1.931 1.00 0.00 C ATOM 173 C PHE A 10 -0.998 12.431 1.306 1.00 0.00 C ATOM 174 O PHE A 10 -1.211 11.996 0.175 1.00 0.00 O ATOM 175 CB PHE A 10 -3.186 12.779 2.477 1.00 0.00 C ATOM 176 CG PHE A 10 -2.902 11.748 3.533 1.00 0.00 C ATOM 177 CD1 PHE A 10 -2.791 12.115 4.865 1.00 0.00 C ATOM 178 CD2 PHE A 10 -2.747 10.415 3.193 1.00 0.00 C ATOM 179 CE1 PHE A 10 -2.530 11.169 5.838 1.00 0.00 C ATOM 180 CE2 PHE A 10 -2.487 9.466 4.161 1.00 0.00 C ATOM 181 CZ PHE A 10 -2.377 9.842 5.486 1.00 0.00 C ATOM 0 H PHE A 10 -3.303 14.506 0.730 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.408 13.957 2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.853 13.535 2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.716 12.303 1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.910 13.151 5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.830 10.114 2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.446 11.467 6.873 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.369 8.429 3.883 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.172 9.101 6.244 1.00 0.00 H new ATOM 191 N PRO A 11 0.054 12.022 2.038 1.00 0.00 N ATOM 192 CA PRO A 11 1.021 11.036 1.548 1.00 0.00 C ATOM 193 C PRO A 11 0.458 9.618 1.552 1.00 0.00 C ATOM 194 O PRO A 11 0.491 8.933 2.574 1.00 0.00 O ATOM 195 CB PRO A 11 2.175 11.149 2.543 1.00 0.00 C ATOM 196 CG PRO A 11 1.539 11.616 3.806 1.00 0.00 C ATOM 197 CD PRO A 11 0.386 12.490 3.399 1.00 0.00 C ATOM 0 HA PRO A 11 1.307 11.227 0.514 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.674 10.190 2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.930 11.854 2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.195 10.772 4.404 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.250 12.171 4.418 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.460 12.379 4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.662 13.544 3.403 1.00 0.00 H new ATOM 205 N LYS A 12 -0.054 9.180 0.406 1.00 0.00 N ATOM 206 CA LYS A 12 -0.618 7.839 0.289 1.00 0.00 C ATOM 207 C LYS A 12 -1.132 7.577 -1.123 1.00 0.00 C ATOM 208 O LYS A 12 -1.623 8.484 -1.797 1.00 0.00 O ATOM 209 CB LYS A 12 -1.750 7.647 1.302 1.00 0.00 C ATOM 210 CG LYS A 12 -1.639 6.358 2.100 1.00 0.00 C ATOM 211 CD LYS A 12 -3.006 5.832 2.506 1.00 0.00 C ATOM 212 CE LYS A 12 -3.072 4.317 2.401 1.00 0.00 C ATOM 213 NZ LYS A 12 -2.064 3.655 3.273 1.00 0.00 N ATOM 0 H LYS A 12 -0.090 9.731 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 12 0.176 7.123 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.757 8.492 1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.704 7.657 0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.121 5.605 1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.036 6.532 2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.225 6.137 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.772 6.276 1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.070 3.977 2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.909 4.018 1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.353 3.178 2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.597 4.369 3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.536 2.954 3.879 1.00 0.00 H new ATOM 227 N LYS A 13 -1.014 6.328 -1.563 1.00 0.00 N ATOM 228 CA LYS A 13 -1.463 5.933 -2.894 1.00 0.00 C ATOM 229 C LYS A 13 -1.144 4.461 -3.161 1.00 0.00 C ATOM 230 O LYS A 13 -2.047 3.661 -3.409 1.00 0.00 O ATOM 231 CB LYS A 13 -0.814 6.813 -3.964 1.00 0.00 C ATOM 232 CG LYS A 13 -1.791 7.310 -5.017 1.00 0.00 C ATOM 233 CD LYS A 13 -1.074 7.749 -6.282 1.00 0.00 C ATOM 234 CE LYS A 13 -2.017 7.786 -7.473 1.00 0.00 C ATOM 235 NZ LYS A 13 -1.919 6.552 -8.300 1.00 0.00 N ATOM 0 H LYS A 13 -0.609 5.569 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.544 6.067 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.345 7.671 -3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.020 6.249 -4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.502 6.519 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.366 8.145 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.639 8.737 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.250 7.066 -6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.042 7.906 -7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.788 8.655 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.410 6.765 -9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.404 5.820 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.874 6.209 -8.526 1.00 0.00 H new ATOM 249 N PRO A 14 0.147 4.080 -3.111 1.00 0.00 N ATOM 250 CA PRO A 14 0.570 2.696 -3.348 1.00 0.00 C ATOM 251 C PRO A 14 -0.187 1.704 -2.471 1.00 0.00 C ATOM 252 O PRO A 14 -0.981 2.097 -1.616 1.00 0.00 O ATOM 253 CB PRO A 14 2.065 2.698 -2.993 1.00 0.00 C ATOM 254 CG PRO A 14 2.308 3.988 -2.282 1.00 0.00 C ATOM 255 CD PRO A 14 1.293 4.954 -2.821 1.00 0.00 C ATOM 0 HA PRO A 14 0.371 2.384 -4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.318 1.848 -2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.681 2.623 -3.889 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.198 3.867 -1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.322 4.347 -2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.041 5.726 -2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.652 5.463 -3.715 1.00 0.00 H new ATOM 263 N LEU A 15 0.063 0.417 -2.691 1.00 0.00 N ATOM 264 CA LEU A 15 -0.598 -0.632 -1.920 1.00 0.00 C ATOM 265 C LEU A 15 0.415 -1.622 -1.359 1.00 0.00 C ATOM 266 O LEU A 15 1.606 -1.551 -1.665 1.00 0.00 O ATOM 267 CB LEU A 15 -1.614 -1.373 -2.791 1.00 0.00 C ATOM 268 CG LEU A 15 -2.609 -0.479 -3.532 1.00 0.00 C ATOM 269 CD1 LEU A 15 -2.935 -1.064 -4.898 1.00 0.00 C ATOM 270 CD2 LEU A 15 -3.878 -0.303 -2.711 1.00 0.00 C ATOM 0 H LEU A 15 0.717 0.075 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.116 -0.157 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.073 -1.972 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.172 -2.066 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.153 0.500 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.644 -0.415 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.022 -1.142 -5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.373 -2.055 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.576 0.336 -3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.337 -1.276 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.632 0.158 -1.754 1.00 0.00 H new ATOM 282 N THR A 16 -0.069 -2.549 -0.538 1.00 0.00 N ATOM 283 CA THR A 16 0.790 -3.562 0.066 1.00 0.00 C ATOM 284 C THR A 16 0.966 -4.747 -0.881 1.00 0.00 C ATOM 285 O THR A 16 0.316 -4.814 -1.923 1.00 0.00 O ATOM 286 CB THR A 16 0.197 -4.035 1.396 1.00 0.00 C ATOM 287 OG1 THR A 16 -0.836 -4.981 1.177 1.00 0.00 O ATOM 288 CG2 THR A 16 -0.381 -2.912 2.230 1.00 0.00 C ATOM 0 H THR A 16 -1.052 -2.620 -0.276 1.00 0.00 H new ATOM 0 HA THR A 16 1.768 -3.118 0.254 1.00 0.00 H new ATOM 0 HB THR A 16 1.031 -4.477 1.941 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.707 -4.543 1.275 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.784 -3.318 3.158 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.402 -2.189 2.460 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.178 -2.419 1.674 1.00 0.00 H new ATOM 296 N PRO A 17 1.843 -5.706 -0.536 1.00 0.00 N ATOM 297 CA PRO A 17 2.083 -6.881 -1.372 1.00 0.00 C ATOM 298 C PRO A 17 0.855 -7.782 -1.437 1.00 0.00 C ATOM 299 O PRO A 17 0.552 -8.357 -2.482 1.00 0.00 O ATOM 300 CB PRO A 17 3.251 -7.606 -0.690 1.00 0.00 C ATOM 301 CG PRO A 17 3.783 -6.654 0.334 1.00 0.00 C ATOM 302 CD PRO A 17 2.657 -5.726 0.687 1.00 0.00 C ATOM 0 HA PRO A 17 2.304 -6.606 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.917 -8.533 -0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.022 -7.872 -1.414 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.133 -7.190 1.216 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.634 -6.098 -0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.089 -6.090 1.543 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.021 -4.731 0.945 1.00 0.00 H new ATOM 310 N TYR A 18 0.141 -7.886 -0.320 1.00 0.00 N ATOM 311 CA TYR A 18 -1.066 -8.702 -0.260 1.00 0.00 C ATOM 312 C TYR A 18 -2.209 -8.003 -0.988 1.00 0.00 C ATOM 313 O TYR A 18 -3.089 -8.652 -1.555 1.00 0.00 O ATOM 314 CB TYR A 18 -1.457 -8.983 1.193 1.00 0.00 C ATOM 315 CG TYR A 18 -2.537 -10.036 1.345 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.576 -11.149 0.512 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.517 -9.915 2.323 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.561 -12.109 0.650 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.504 -10.872 2.467 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.522 -11.967 1.629 1.00 0.00 C ATOM 321 OH TYR A 18 -5.503 -12.921 1.771 1.00 0.00 O ATOM 0 H TYR A 18 0.377 -7.416 0.554 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.864 -9.654 -0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.571 -9.303 1.742 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.800 -8.056 1.653 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.825 -11.265 -0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.507 -9.059 2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.578 -12.967 -0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.258 -10.763 3.233 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.099 -12.670 2.507 1.00 0.00 H new ATOM 331 N PHE A 19 -2.182 -6.672 -0.976 1.00 0.00 N ATOM 332 CA PHE A 19 -3.208 -5.881 -1.645 1.00 0.00 C ATOM 333 C PHE A 19 -3.081 -6.025 -3.158 1.00 0.00 C ATOM 334 O PHE A 19 -4.030 -6.414 -3.837 1.00 0.00 O ATOM 335 CB PHE A 19 -3.094 -4.409 -1.246 1.00 0.00 C ATOM 336 CG PHE A 19 -4.023 -4.017 -0.132 1.00 0.00 C ATOM 337 CD1 PHE A 19 -3.869 -4.549 1.137 1.00 0.00 C ATOM 338 CD2 PHE A 19 -5.052 -3.116 -0.356 1.00 0.00 C ATOM 339 CE1 PHE A 19 -4.721 -4.189 2.164 1.00 0.00 C ATOM 340 CE2 PHE A 19 -5.909 -2.754 0.666 1.00 0.00 C ATOM 341 CZ PHE A 19 -5.743 -3.292 1.928 1.00 0.00 C ATOM 0 H PHE A 19 -1.461 -6.121 -0.510 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.186 -6.251 -1.336 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.068 -4.201 -0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.301 -3.787 -2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.073 -5.254 1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.186 -2.692 -1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.587 -4.609 3.150 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.708 -2.051 0.479 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.412 -3.011 2.728 1.00 0.00 H new ATOM 351 N ARG A 20 -1.894 -5.730 -3.677 1.00 0.00 N ATOM 352 CA ARG A 20 -1.639 -5.847 -5.110 1.00 0.00 C ATOM 353 C ARG A 20 -1.789 -7.298 -5.568 1.00 0.00 C ATOM 354 O ARG A 20 -1.877 -7.575 -6.763 1.00 0.00 O ATOM 355 CB ARG A 20 -0.235 -5.339 -5.447 1.00 0.00 C ATOM 356 CG ARG A 20 0.028 -3.915 -4.986 1.00 0.00 C ATOM 357 CD ARG A 20 1.305 -3.358 -5.592 1.00 0.00 C ATOM 358 NE ARG A 20 1.124 -1.995 -6.089 1.00 0.00 N ATOM 359 CZ ARG A 20 1.932 -1.412 -6.971 1.00 0.00 C ATOM 360 NH1 ARG A 20 2.977 -2.069 -7.460 1.00 0.00 N ATOM 361 NH2 ARG A 20 1.695 -0.168 -7.367 1.00 0.00 N ATOM 0 H ARG A 20 -1.095 -5.409 -3.130 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.373 -5.236 -5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.500 -6.001 -4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.087 -5.395 -6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.814 -3.281 -5.263 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.100 -3.891 -3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.097 -3.369 -4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.630 -4.002 -6.409 1.00 0.00 H new ATOM 0 HE ARG A 20 0.330 -1.459 -5.738 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.164 -3.026 -7.160 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.593 -1.617 -8.136 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.893 0.342 -6.995 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.314 0.279 -8.043 1.00 0.00 H new ATOM 375 N PHE A 21 -1.808 -8.219 -4.606 1.00 0.00 N ATOM 376 CA PHE A 21 -1.939 -9.641 -4.900 1.00 0.00 C ATOM 377 C PHE A 21 -3.395 -10.092 -4.798 1.00 0.00 C ATOM 378 O PHE A 21 -3.867 -10.892 -5.606 1.00 0.00 O ATOM 379 CB PHE A 21 -1.079 -10.445 -3.923 1.00 0.00 C ATOM 380 CG PHE A 21 -0.847 -11.870 -4.333 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.898 -12.769 -4.408 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.431 -12.311 -4.635 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.678 -14.083 -4.779 1.00 0.00 C ATOM 384 CE2 PHE A 21 0.658 -13.621 -5.007 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.399 -14.510 -5.079 1.00 0.00 C ATOM 0 H PHE A 21 -1.734 -8.002 -3.612 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.600 -9.815 -5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.115 -9.949 -3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.556 -10.434 -2.943 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.900 -12.440 -4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.260 -11.621 -4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.506 -14.775 -4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.659 -13.951 -5.241 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.225 -15.536 -5.369 1.00 0.00 H new ATOM 395 N PHE A 22 -4.101 -9.570 -3.798 1.00 0.00 N ATOM 396 CA PHE A 22 -5.498 -9.922 -3.582 1.00 0.00 C ATOM 397 C PHE A 22 -6.403 -8.990 -4.374 1.00 0.00 C ATOM 398 O PHE A 22 -7.229 -9.432 -5.172 1.00 0.00 O ATOM 399 CB PHE A 22 -5.821 -9.839 -2.086 1.00 0.00 C ATOM 400 CG PHE A 22 -7.275 -10.027 -1.750 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.202 -9.036 -2.038 1.00 0.00 C ATOM 402 CD2 PHE A 22 -7.713 -11.189 -1.137 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.537 -9.204 -1.724 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.047 -11.361 -0.817 1.00 0.00 C ATOM 405 CZ PHE A 22 -9.959 -10.368 -1.111 1.00 0.00 C ATOM 0 H PHE A 22 -3.726 -8.901 -3.125 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.670 -10.942 -3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.239 -10.595 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.497 -8.868 -1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.876 -8.122 -2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.004 -11.970 -0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.249 -8.427 -1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.375 -12.271 -0.337 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.002 -10.501 -0.862 1.00 0.00 H new ATOM 415 N MET A 23 -6.232 -7.700 -4.141 1.00 0.00 N ATOM 416 CA MET A 23 -7.016 -6.677 -4.814 1.00 0.00 C ATOM 417 C MET A 23 -7.009 -6.869 -6.332 1.00 0.00 C ATOM 418 O MET A 23 -7.924 -6.424 -7.026 1.00 0.00 O ATOM 419 CB MET A 23 -6.467 -5.300 -4.432 1.00 0.00 C ATOM 420 CG MET A 23 -5.518 -4.692 -5.455 1.00 0.00 C ATOM 421 SD MET A 23 -6.381 -3.780 -6.749 1.00 0.00 S ATOM 422 CE MET A 23 -5.077 -3.600 -7.963 1.00 0.00 C ATOM 0 H MET A 23 -5.547 -7.332 -3.481 1.00 0.00 H new ATOM 0 HA MET A 23 -8.054 -6.758 -4.492 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.304 -4.618 -4.282 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.947 -5.382 -3.477 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.823 -4.024 -4.947 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.924 -5.485 -5.909 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.457 -3.054 -8.827 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.244 -3.051 -7.524 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.735 -4.586 -8.279 1.00 0.00 H new ATOM 432 N GLU A 24 -5.974 -7.531 -6.842 1.00 0.00 N ATOM 433 CA GLU A 24 -5.855 -7.776 -8.273 1.00 0.00 C ATOM 434 C GLU A 24 -6.503 -9.109 -8.647 1.00 0.00 C ATOM 435 O GLU A 24 -7.311 -9.180 -9.573 1.00 0.00 O ATOM 436 CB GLU A 24 -4.375 -7.751 -8.682 1.00 0.00 C ATOM 437 CG GLU A 24 -3.973 -8.831 -9.675 1.00 0.00 C ATOM 438 CD GLU A 24 -4.697 -8.703 -11.001 1.00 0.00 C ATOM 439 OE1 GLU A 24 -4.953 -7.559 -11.429 1.00 0.00 O ATOM 440 OE2 GLU A 24 -5.006 -9.748 -11.613 1.00 0.00 O ATOM 0 H GLU A 24 -5.207 -7.907 -6.284 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.380 -6.988 -8.813 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.148 -6.776 -9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.762 -7.854 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.898 -8.780 -9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.181 -9.811 -9.245 1.00 0.00 H new ATOM 447 N LYS A 25 -6.137 -10.161 -7.921 1.00 0.00 N ATOM 448 CA LYS A 25 -6.677 -11.491 -8.178 1.00 0.00 C ATOM 449 C LYS A 25 -8.194 -11.513 -8.025 1.00 0.00 C ATOM 450 O LYS A 25 -8.882 -12.320 -8.651 1.00 0.00 O ATOM 451 CB LYS A 25 -6.040 -12.507 -7.232 1.00 0.00 C ATOM 452 CG LYS A 25 -4.991 -13.372 -7.904 1.00 0.00 C ATOM 453 CD LYS A 25 -3.650 -13.288 -7.192 1.00 0.00 C ATOM 454 CE LYS A 25 -2.635 -14.237 -7.806 1.00 0.00 C ATOM 455 NZ LYS A 25 -1.265 -13.655 -7.817 1.00 0.00 N ATOM 0 H LYS A 25 -5.469 -10.118 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.439 -11.758 -9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.584 -11.978 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.819 -13.147 -6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.330 -14.408 -7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.872 -13.059 -8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.273 -12.267 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.781 -13.527 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.627 -15.172 -7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.935 -14.479 -8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.616 -14.305 -8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.280 -12.742 -8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.941 -13.511 -6.839 1.00 0.00 H new ATOM 469 N ARG A 26 -8.709 -10.618 -7.189 1.00 0.00 N ATOM 470 CA ARG A 26 -10.144 -10.520 -6.947 1.00 0.00 C ATOM 471 C ARG A 26 -10.907 -10.493 -8.262 1.00 0.00 C ATOM 472 O ARG A 26 -11.939 -11.149 -8.412 1.00 0.00 O ATOM 473 CB ARG A 26 -10.462 -9.263 -6.133 1.00 0.00 C ATOM 474 CG ARG A 26 -10.275 -9.442 -4.635 1.00 0.00 C ATOM 475 CD ARG A 26 -11.029 -10.657 -4.123 1.00 0.00 C ATOM 476 NE ARG A 26 -10.179 -11.841 -4.052 1.00 0.00 N ATOM 477 CZ ARG A 26 -10.282 -12.777 -3.112 1.00 0.00 C ATOM 478 NH1 ARG A 26 -11.196 -12.677 -2.154 1.00 0.00 N ATOM 479 NH2 ARG A 26 -9.474 -13.825 -3.136 1.00 0.00 N ATOM 0 H ARG A 26 -8.150 -9.946 -6.664 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.456 -11.397 -6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.824 -8.448 -6.475 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.492 -8.965 -6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.214 -9.549 -4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.623 -8.550 -4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.433 -10.442 -3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.877 -10.859 -4.777 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.461 -11.958 -4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.828 -11.877 -2.134 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.266 -13.400 -1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.775 -13.913 -3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.550 -14.544 -2.417 1.00 0.00 H new ATOM 493 N ALA A 27 -10.377 -9.743 -9.217 1.00 0.00 N ATOM 494 CA ALA A 27 -10.986 -9.639 -10.532 1.00 0.00 C ATOM 495 C ALA A 27 -11.056 -11.011 -11.184 1.00 0.00 C ATOM 496 O ALA A 27 -12.002 -11.328 -11.904 1.00 0.00 O ATOM 497 CB ALA A 27 -10.179 -8.696 -11.403 1.00 0.00 C ATOM 0 H ALA A 27 -9.523 -9.196 -9.104 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.997 -9.246 -10.422 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.642 -8.624 -12.387 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.151 -7.709 -10.942 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.163 -9.077 -11.507 1.00 0.00 H new ATOM 503 N LYS A 28 -10.033 -11.814 -10.923 1.00 0.00 N ATOM 504 CA LYS A 28 -9.948 -13.160 -11.480 1.00 0.00 C ATOM 505 C LYS A 28 -10.676 -14.183 -10.605 1.00 0.00 C ATOM 506 O LYS A 28 -10.899 -15.317 -11.024 1.00 0.00 O ATOM 507 CB LYS A 28 -8.482 -13.565 -11.649 1.00 0.00 C ATOM 508 CG LYS A 28 -8.119 -13.953 -13.073 1.00 0.00 C ATOM 509 CD LYS A 28 -8.826 -15.230 -13.500 1.00 0.00 C ATOM 510 CE LYS A 28 -9.712 -15.002 -14.714 1.00 0.00 C ATOM 511 NZ LYS A 28 -10.907 -15.890 -14.704 1.00 0.00 N ATOM 0 H LYS A 28 -9.247 -11.556 -10.327 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.438 -13.148 -12.454 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.846 -12.738 -11.333 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.267 -14.403 -10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.387 -13.143 -13.751 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.040 -14.090 -13.150 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.086 -15.997 -13.728 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.430 -15.606 -12.674 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.034 -13.961 -14.738 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.136 -15.179 -15.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.285 -15.974 -15.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.637 -16.832 -14.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.635 -15.486 -14.081 1.00 0.00 H new ATOM 525 N TYR A 29 -11.038 -13.783 -9.388 1.00 0.00 N ATOM 526 CA TYR A 29 -11.735 -14.681 -8.470 1.00 0.00 C ATOM 527 C TYR A 29 -13.232 -14.404 -8.453 1.00 0.00 C ATOM 528 O TYR A 29 -14.033 -15.300 -8.190 1.00 0.00 O ATOM 529 CB TYR A 29 -11.161 -14.555 -7.059 1.00 0.00 C ATOM 530 CG TYR A 29 -9.913 -15.372 -6.850 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.956 -16.760 -6.855 1.00 0.00 C ATOM 532 CD2 TYR A 29 -8.691 -14.753 -6.651 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.810 -17.508 -6.665 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.542 -15.491 -6.462 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.605 -16.869 -6.470 1.00 0.00 C ATOM 536 OH TYR A 29 -6.460 -17.608 -6.282 1.00 0.00 O ATOM 0 H TYR A 29 -10.862 -12.850 -9.016 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.583 -15.700 -8.825 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.939 -13.507 -6.856 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.916 -14.867 -6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.899 -17.262 -7.010 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.637 -13.674 -6.644 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.858 -18.587 -6.669 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.596 -14.992 -6.308 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.759 -17.285 -6.886 1.00 0.00 H new ATOM 546 N ALA A 30 -13.606 -13.165 -8.747 1.00 0.00 N ATOM 547 CA ALA A 30 -15.011 -12.787 -8.776 1.00 0.00 C ATOM 548 C ALA A 30 -15.648 -13.253 -10.078 1.00 0.00 C ATOM 549 O ALA A 30 -16.872 -13.344 -10.192 1.00 0.00 O ATOM 550 CB ALA A 30 -15.160 -11.281 -8.619 1.00 0.00 C ATOM 0 H ALA A 30 -12.958 -12.409 -8.968 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.522 -13.270 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.217 -11.015 -8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.729 -10.970 -7.667 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.641 -10.777 -9.434 1.00 0.00 H new ATOM 556 N LYS A 31 -14.800 -13.547 -11.057 1.00 0.00 N ATOM 557 CA LYS A 31 -15.248 -14.003 -12.356 1.00 0.00 C ATOM 558 C LYS A 31 -15.105 -15.519 -12.487 1.00 0.00 C ATOM 559 O LYS A 31 -15.737 -16.139 -13.345 1.00 0.00 O ATOM 560 CB LYS A 31 -14.427 -13.307 -13.436 1.00 0.00 C ATOM 561 CG LYS A 31 -14.858 -13.661 -14.845 1.00 0.00 C ATOM 562 CD LYS A 31 -14.081 -14.852 -15.387 1.00 0.00 C ATOM 563 CE LYS A 31 -13.268 -14.478 -16.616 1.00 0.00 C ATOM 564 NZ LYS A 31 -12.895 -15.673 -17.422 1.00 0.00 N ATOM 0 H LYS A 31 -13.787 -13.474 -10.967 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.303 -13.756 -12.472 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.504 -12.228 -13.301 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.377 -13.570 -13.309 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.924 -13.887 -14.854 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.709 -12.801 -15.498 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.416 -15.236 -14.613 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.774 -15.655 -15.639 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.842 -13.788 -17.235 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.364 -13.952 -16.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.983 -15.504 -17.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.815 -16.501 -16.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.626 -15.850 -18.140 1.00 0.00 H new ATOM 578 N LEU A 32 -14.265 -16.110 -11.640 1.00 0.00 N ATOM 579 CA LEU A 32 -14.033 -17.550 -11.671 1.00 0.00 C ATOM 580 C LEU A 32 -14.820 -18.279 -10.579 1.00 0.00 C ATOM 581 O LEU A 32 -14.786 -19.506 -10.498 1.00 0.00 O ATOM 582 CB LEU A 32 -12.539 -17.840 -11.516 1.00 0.00 C ATOM 583 CG LEU A 32 -12.145 -19.315 -11.646 1.00 0.00 C ATOM 584 CD1 LEU A 32 -11.215 -19.519 -12.831 1.00 0.00 C ATOM 585 CD2 LEU A 32 -11.492 -19.809 -10.363 1.00 0.00 C ATOM 0 H LEU A 32 -13.734 -15.613 -10.924 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.383 -17.920 -12.635 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.994 -17.267 -12.266 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.214 -17.478 -10.541 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.050 -19.897 -11.817 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.947 -20.573 -12.906 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.718 -19.207 -13.746 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.312 -18.924 -12.692 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.219 -20.858 -10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.597 -19.221 -10.160 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.192 -19.702 -9.534 1.00 0.00 H new ATOM 597 N HIS A 33 -15.531 -17.524 -9.741 1.00 0.00 N ATOM 598 CA HIS A 33 -16.319 -18.121 -8.666 1.00 0.00 C ATOM 599 C HIS A 33 -17.813 -17.886 -8.888 1.00 0.00 C ATOM 600 O HIS A 33 -18.450 -17.131 -8.153 1.00 0.00 O ATOM 601 CB HIS A 33 -15.887 -17.555 -7.308 1.00 0.00 C ATOM 602 CG HIS A 33 -14.618 -18.162 -6.790 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.536 -18.817 -5.578 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.378 -18.213 -7.328 1.00 0.00 C ATOM 605 CE1 HIS A 33 -13.299 -19.245 -5.396 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.577 -18.891 -6.442 1.00 0.00 N ATOM 0 H HIS A 33 -15.577 -16.506 -9.786 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.139 -19.196 -8.671 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.756 -16.477 -7.397 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.684 -17.721 -6.583 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -13.074 -17.798 -8.278 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.940 -19.792 -4.537 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.585 -19.089 -6.572 1.00 0.00 H new ATOM 615 N PRO A 34 -18.396 -18.540 -9.911 1.00 0.00 N ATOM 616 CA PRO A 34 -19.822 -18.403 -10.230 1.00 0.00 C ATOM 617 C PRO A 34 -20.709 -19.161 -9.249 1.00 0.00 C ATOM 618 O PRO A 34 -21.788 -18.695 -8.885 1.00 0.00 O ATOM 619 CB PRO A 34 -19.925 -19.015 -11.627 1.00 0.00 C ATOM 620 CG PRO A 34 -18.833 -20.027 -11.670 1.00 0.00 C ATOM 621 CD PRO A 34 -17.711 -19.462 -10.839 1.00 0.00 C ATOM 0 HA PRO A 34 -20.159 -17.368 -10.175 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -20.900 -19.475 -11.788 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.797 -18.259 -12.402 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.171 -20.983 -11.271 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -18.508 -20.207 -12.695 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.175 -20.245 -10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -16.979 -18.940 -11.455 1.00 0.00 H new ATOM 629 N GLU A 35 -20.245 -20.331 -8.823 1.00 0.00 N ATOM 630 CA GLU A 35 -20.995 -21.152 -7.880 1.00 0.00 C ATOM 631 C GLU A 35 -20.415 -21.029 -6.477 1.00 0.00 C ATOM 632 O GLU A 35 -20.656 -21.872 -5.613 1.00 0.00 O ATOM 633 CB GLU A 35 -20.988 -22.617 -8.322 1.00 0.00 C ATOM 634 CG GLU A 35 -21.871 -22.891 -9.528 1.00 0.00 C ATOM 635 CD GLU A 35 -22.744 -24.117 -9.347 1.00 0.00 C ATOM 636 OE1 GLU A 35 -23.668 -24.071 -8.507 1.00 0.00 O ATOM 637 OE2 GLU A 35 -22.501 -25.126 -10.043 1.00 0.00 O ATOM 0 H GLU A 35 -19.354 -20.732 -9.116 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.024 -20.793 -7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -19.965 -22.913 -8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -21.318 -23.240 -7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -22.504 -22.023 -9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.244 -23.023 -10.410 1.00 0.00 H new ATOM 644 N MET A 36 -19.649 -19.967 -6.260 1.00 0.00 N ATOM 645 CA MET A 36 -19.030 -19.715 -4.964 1.00 0.00 C ATOM 646 C MET A 36 -19.176 -18.247 -4.578 1.00 0.00 C ATOM 647 O MET A 36 -19.898 -17.494 -5.230 1.00 0.00 O ATOM 648 CB MET A 36 -17.551 -20.105 -5.000 1.00 0.00 C ATOM 649 CG MET A 36 -17.309 -21.526 -5.487 1.00 0.00 C ATOM 650 SD MET A 36 -16.198 -22.452 -4.408 1.00 0.00 S ATOM 651 CE MET A 36 -14.604 -21.939 -5.044 1.00 0.00 C ATOM 0 H MET A 36 -19.441 -19.263 -6.968 1.00 0.00 H new ATOM 0 HA MET A 36 -19.537 -20.323 -4.215 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.016 -19.411 -5.649 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.130 -19.995 -4.000 1.00 0.00 H new ATOM 0 HG2 MET A 36 -18.263 -22.050 -5.555 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.890 -21.495 -6.493 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.042 -22.815 -5.366 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.749 -21.269 -5.891 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.050 -21.420 -4.262 1.00 0.00 H new ATOM 661 N SER A 37 -18.490 -17.845 -3.515 1.00 0.00 N ATOM 662 CA SER A 37 -18.549 -16.466 -3.047 1.00 0.00 C ATOM 663 C SER A 37 -17.150 -15.913 -2.798 1.00 0.00 C ATOM 664 O SER A 37 -16.170 -16.657 -2.780 1.00 0.00 O ATOM 665 CB SER A 37 -19.385 -16.375 -1.768 1.00 0.00 C ATOM 666 OG SER A 37 -20.428 -15.427 -1.904 1.00 0.00 O ATOM 0 H SER A 37 -17.887 -18.454 -2.961 1.00 0.00 H new ATOM 0 HA SER A 37 -19.021 -15.865 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.807 -17.353 -1.536 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.745 -16.097 -0.931 1.00 0.00 H new ATOM 0 HG SER A 37 -20.947 -15.390 -1.074 1.00 0.00 H new ATOM 672 N ASN A 38 -17.068 -14.601 -2.597 1.00 0.00 N ATOM 673 CA ASN A 38 -15.792 -13.941 -2.341 1.00 0.00 C ATOM 674 C ASN A 38 -15.084 -14.553 -1.135 1.00 0.00 C ATOM 675 O ASN A 38 -13.873 -14.404 -0.973 1.00 0.00 O ATOM 676 CB ASN A 38 -16.010 -12.446 -2.109 1.00 0.00 C ATOM 677 CG ASN A 38 -16.732 -11.782 -3.265 1.00 0.00 C ATOM 678 OD1 ASN A 38 -17.518 -12.417 -3.967 1.00 0.00 O ATOM 679 ND2 ASN A 38 -16.467 -10.496 -3.468 1.00 0.00 N ATOM 0 H ASN A 38 -17.872 -13.973 -2.607 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.159 -14.084 -3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.585 -12.303 -1.194 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.046 -11.960 -1.959 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.923 -9.996 -4.231 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -15.808 -10.009 -2.861 1.00 0.00 H new ATOM 686 N LEU A 39 -15.846 -15.239 -0.292 1.00 0.00 N ATOM 687 CA LEU A 39 -15.290 -15.871 0.900 1.00 0.00 C ATOM 688 C LEU A 39 -14.433 -17.075 0.529 1.00 0.00 C ATOM 689 O LEU A 39 -13.372 -17.298 1.113 1.00 0.00 O ATOM 690 CB LEU A 39 -16.414 -16.301 1.844 1.00 0.00 C ATOM 691 CG LEU A 39 -17.033 -15.173 2.671 1.00 0.00 C ATOM 692 CD1 LEU A 39 -16.017 -14.615 3.654 1.00 0.00 C ATOM 693 CD2 LEU A 39 -17.558 -14.072 1.761 1.00 0.00 C ATOM 0 H LEU A 39 -16.850 -15.372 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.658 -15.142 1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.201 -16.773 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.026 -17.059 2.525 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.871 -15.579 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.474 -13.813 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.688 -15.407 4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.159 -14.223 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.995 -13.278 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.737 -13.667 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -18.318 -14.481 1.096 1.00 0.00 H new ATOM 705 N ASP A 40 -14.898 -17.850 -0.446 1.00 0.00 N ATOM 706 CA ASP A 40 -14.173 -19.033 -0.892 1.00 0.00 C ATOM 707 C ASP A 40 -12.833 -18.650 -1.511 1.00 0.00 C ATOM 708 O ASP A 40 -11.804 -19.254 -1.206 1.00 0.00 O ATOM 709 CB ASP A 40 -15.009 -19.817 -1.904 1.00 0.00 C ATOM 710 CG ASP A 40 -15.912 -20.838 -1.239 1.00 0.00 C ATOM 711 OD1 ASP A 40 -16.812 -20.428 -0.477 1.00 0.00 O ATOM 712 OD2 ASP A 40 -15.720 -22.049 -1.482 1.00 0.00 O ATOM 0 H ASP A 40 -15.773 -17.680 -0.942 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.984 -19.661 -0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.616 -19.123 -2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.345 -20.324 -2.604 1.00 0.00 H new ATOM 717 N LEU A 41 -12.850 -17.647 -2.382 1.00 0.00 N ATOM 718 CA LEU A 41 -11.632 -17.192 -3.041 1.00 0.00 C ATOM 719 C LEU A 41 -10.678 -16.543 -2.044 1.00 0.00 C ATOM 720 O LEU A 41 -9.460 -16.626 -2.195 1.00 0.00 O ATOM 721 CB LEU A 41 -11.953 -16.208 -4.176 1.00 0.00 C ATOM 722 CG LEU A 41 -13.194 -15.333 -3.967 1.00 0.00 C ATOM 723 CD1 LEU A 41 -12.902 -13.883 -4.326 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.359 -15.864 -4.792 1.00 0.00 C ATOM 0 H LEU A 41 -13.691 -17.135 -2.647 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.145 -18.069 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.092 -15.556 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.082 -16.775 -5.098 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.467 -15.371 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.798 -13.282 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.097 -13.507 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.601 -13.821 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.234 -15.233 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.091 -15.855 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.587 -16.885 -4.485 1.00 0.00 H new ATOM 736 N THR A 42 -11.234 -15.896 -1.023 1.00 0.00 N ATOM 737 CA THR A 42 -10.423 -15.236 -0.004 1.00 0.00 C ATOM 738 C THR A 42 -9.425 -16.212 0.614 1.00 0.00 C ATOM 739 O THR A 42 -8.236 -15.916 0.714 1.00 0.00 O ATOM 740 CB THR A 42 -11.320 -14.637 1.084 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.128 -13.601 0.555 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.551 -14.063 2.256 1.00 0.00 C ATOM 0 H THR A 42 -12.241 -15.815 -0.879 1.00 0.00 H new ATOM 0 HA THR A 42 -9.864 -14.432 -0.483 1.00 0.00 H new ATOM 0 HB THR A 42 -11.925 -15.470 1.443 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.990 -13.971 0.270 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.251 -13.657 2.986 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.956 -14.849 2.721 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.892 -13.269 1.905 1.00 0.00 H new ATOM 750 N LYS A 43 -9.919 -17.377 1.020 1.00 0.00 N ATOM 751 CA LYS A 43 -9.067 -18.397 1.620 1.00 0.00 C ATOM 752 C LYS A 43 -7.924 -18.754 0.671 1.00 0.00 C ATOM 753 O LYS A 43 -6.789 -18.966 1.095 1.00 0.00 O ATOM 754 CB LYS A 43 -9.905 -19.638 1.967 1.00 0.00 C ATOM 755 CG LYS A 43 -9.184 -20.966 1.779 1.00 0.00 C ATOM 756 CD LYS A 43 -9.456 -21.557 0.404 1.00 0.00 C ATOM 757 CE LYS A 43 -9.921 -23.002 0.497 1.00 0.00 C ATOM 758 NZ LYS A 43 -10.879 -23.348 -0.589 1.00 0.00 N ATOM 0 H LYS A 43 -10.902 -17.638 0.945 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.632 -18.007 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.231 -19.561 3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.803 -19.637 1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.111 -20.821 1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.505 -21.668 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.215 -20.962 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.551 -21.504 -0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.058 -23.665 0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.393 -23.170 1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.172 -24.341 -0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.715 -22.732 -0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.420 -23.213 -1.513 1.00 0.00 H new ATOM 772 N ILE A 44 -8.241 -18.814 -0.617 1.00 0.00 N ATOM 773 CA ILE A 44 -7.255 -19.142 -1.639 1.00 0.00 C ATOM 774 C ILE A 44 -6.057 -18.200 -1.586 1.00 0.00 C ATOM 775 O ILE A 44 -4.908 -18.638 -1.637 1.00 0.00 O ATOM 776 CB ILE A 44 -7.866 -19.069 -3.054 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.126 -19.927 -3.151 1.00 0.00 C ATOM 778 CG2 ILE A 44 -6.850 -19.506 -4.100 1.00 0.00 C ATOM 779 CD1 ILE A 44 -9.824 -19.803 -4.487 1.00 0.00 C ATOM 0 H ILE A 44 -9.178 -18.639 -0.979 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.927 -20.161 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.142 -18.032 -3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.862 -20.971 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.817 -19.639 -2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.300 -19.448 -5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.980 -18.851 -4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.542 -20.533 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.711 -20.436 -4.494 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.117 -18.766 -4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.148 -20.118 -5.282 1.00 0.00 H new ATOM 791 N LEU A 45 -6.331 -16.900 -1.508 1.00 0.00 N ATOM 792 CA LEU A 45 -5.270 -15.899 -1.478 1.00 0.00 C ATOM 793 C LEU A 45 -4.740 -15.670 -0.065 1.00 0.00 C ATOM 794 O LEU A 45 -3.618 -15.197 0.110 1.00 0.00 O ATOM 795 CB LEU A 45 -5.775 -14.585 -2.073 1.00 0.00 C ATOM 796 CG LEU A 45 -6.240 -14.676 -3.530 1.00 0.00 C ATOM 797 CD1 LEU A 45 -6.525 -13.293 -4.089 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.202 -15.391 -4.382 1.00 0.00 C ATOM 0 H LEU A 45 -7.275 -16.517 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.442 -16.276 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.603 -14.221 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.980 -13.843 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.163 -15.255 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.854 -13.380 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.307 -12.816 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.619 -12.689 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.552 -15.445 -5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.261 -14.842 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.048 -16.399 -3.998 1.00 0.00 H new ATOM 810 N SER A 46 -5.539 -16.008 0.939 1.00 0.00 N ATOM 811 CA SER A 46 -5.121 -15.836 2.325 1.00 0.00 C ATOM 812 C SER A 46 -4.301 -17.032 2.794 1.00 0.00 C ATOM 813 O SER A 46 -3.566 -16.949 3.779 1.00 0.00 O ATOM 814 CB SER A 46 -6.336 -15.636 3.231 1.00 0.00 C ATOM 815 OG SER A 46 -6.960 -16.874 3.531 1.00 0.00 O ATOM 0 H SER A 46 -6.473 -16.400 0.822 1.00 0.00 H new ATOM 0 HA SER A 46 -4.494 -14.946 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.028 -15.148 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.051 -14.973 2.744 1.00 0.00 H new ATOM 0 HG SER A 46 -7.817 -16.709 3.976 1.00 0.00 H new ATOM 821 N LYS A 47 -4.431 -18.143 2.079 1.00 0.00 N ATOM 822 CA LYS A 47 -3.711 -19.358 2.408 1.00 0.00 C ATOM 823 C LYS A 47 -2.415 -19.453 1.610 1.00 0.00 C ATOM 824 O LYS A 47 -1.386 -19.892 2.123 1.00 0.00 O ATOM 825 CB LYS A 47 -4.600 -20.558 2.112 1.00 0.00 C ATOM 826 CG LYS A 47 -4.170 -21.819 2.829 1.00 0.00 C ATOM 827 CD LYS A 47 -4.238 -21.647 4.338 1.00 0.00 C ATOM 828 CE LYS A 47 -4.644 -22.938 5.028 1.00 0.00 C ATOM 829 NZ LYS A 47 -3.494 -23.872 5.181 1.00 0.00 N ATOM 0 H LYS A 47 -5.035 -18.223 1.261 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.453 -19.344 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.625 -20.320 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.602 -20.743 1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.810 -22.648 2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.153 -22.078 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.267 -21.323 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.953 -20.862 4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.059 -22.710 6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.432 -23.424 4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.813 -24.740 5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.113 -24.110 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.752 -23.418 5.751 1.00 0.00 H new ATOM 843 N LYS A 48 -2.475 -19.040 0.347 1.00 0.00 N ATOM 844 CA LYS A 48 -1.307 -19.080 -0.528 1.00 0.00 C ATOM 845 C LYS A 48 -0.299 -18.002 -0.142 1.00 0.00 C ATOM 846 O LYS A 48 0.875 -18.291 0.088 1.00 0.00 O ATOM 847 CB LYS A 48 -1.731 -18.896 -1.987 1.00 0.00 C ATOM 848 CG LYS A 48 -2.636 -20.004 -2.502 1.00 0.00 C ATOM 849 CD LYS A 48 -3.410 -19.563 -3.734 1.00 0.00 C ATOM 850 CE LYS A 48 -2.605 -19.781 -5.005 1.00 0.00 C ATOM 851 NZ LYS A 48 -1.849 -18.562 -5.403 1.00 0.00 N ATOM 0 H LYS A 48 -3.319 -18.674 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.832 -20.054 -0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.246 -17.941 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.840 -18.846 -2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.037 -20.882 -2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.334 -20.299 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.346 -20.118 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.670 -18.508 -3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.909 -20.607 -4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.276 -20.072 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.117 -18.818 -6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.501 -17.872 -5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.399 -18.143 -4.564 1.00 0.00 H new ATOM 865 N TYR A 49 -0.765 -16.758 -0.075 1.00 0.00 N ATOM 866 CA TYR A 49 0.084 -15.632 0.279 1.00 0.00 C ATOM 867 C TYR A 49 0.959 -15.943 1.492 1.00 0.00 C ATOM 868 O TYR A 49 2.116 -15.528 1.557 1.00 0.00 O ATOM 869 CB TYR A 49 -0.778 -14.406 0.565 1.00 0.00 C ATOM 870 CG TYR A 49 0.031 -13.162 0.811 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.638 -12.498 -0.241 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.192 -12.660 2.092 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.390 -11.358 -0.025 1.00 0.00 C ATOM 874 CE2 TYR A 49 0.940 -11.522 2.322 1.00 0.00 C ATOM 875 CZ TYR A 49 1.537 -10.874 1.260 1.00 0.00 C ATOM 876 OH TYR A 49 2.284 -9.741 1.484 1.00 0.00 O ATOM 0 H TYR A 49 -1.735 -16.506 -0.264 1.00 0.00 H new ATOM 0 HA TYR A 49 0.743 -15.432 -0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.448 -14.236 -0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.404 -14.604 1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.522 -12.876 -1.246 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.275 -13.166 2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.859 -10.850 -0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.057 -11.142 3.326 1.00 0.00 H new ATOM 0 HH TYR A 49 2.286 -9.535 2.442 1.00 0.00 H new ATOM 886 N LYS A 50 0.401 -16.675 2.450 1.00 0.00 N ATOM 887 CA LYS A 50 1.131 -17.038 3.655 1.00 0.00 C ATOM 888 C LYS A 50 2.075 -18.207 3.376 1.00 0.00 C ATOM 889 O LYS A 50 3.224 -18.208 3.818 1.00 0.00 O ATOM 890 CB LYS A 50 0.130 -17.367 4.780 1.00 0.00 C ATOM 891 CG LYS A 50 0.490 -18.571 5.647 1.00 0.00 C ATOM 892 CD LYS A 50 0.841 -18.151 7.066 1.00 0.00 C ATOM 893 CE LYS A 50 2.344 -18.001 7.248 1.00 0.00 C ATOM 894 NZ LYS A 50 2.740 -16.579 7.441 1.00 0.00 N ATOM 0 H LYS A 50 -0.555 -17.028 2.414 1.00 0.00 H new ATOM 0 HA LYS A 50 1.746 -16.198 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.034 -16.493 5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.848 -17.543 4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.348 -19.268 5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.333 -19.101 5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.349 -17.207 7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.460 -18.891 7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.666 -18.588 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.858 -18.406 6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.771 -16.519 7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.456 -16.023 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.270 -16.200 8.288 1.00 0.00 H new ATOM 908 N GLU A 51 1.580 -19.198 2.641 1.00 0.00 N ATOM 909 CA GLU A 51 2.378 -20.372 2.302 1.00 0.00 C ATOM 910 C GLU A 51 3.667 -19.977 1.584 1.00 0.00 C ATOM 911 O GLU A 51 4.642 -20.729 1.581 1.00 0.00 O ATOM 912 CB GLU A 51 1.565 -21.325 1.423 1.00 0.00 C ATOM 913 CG GLU A 51 2.265 -22.646 1.148 1.00 0.00 C ATOM 914 CD GLU A 51 2.625 -22.823 -0.314 1.00 0.00 C ATOM 915 OE1 GLU A 51 1.858 -22.344 -1.176 1.00 0.00 O ATOM 916 OE2 GLU A 51 3.673 -23.440 -0.599 1.00 0.00 O ATOM 0 H GLU A 51 0.630 -19.212 2.269 1.00 0.00 H new ATOM 0 HA GLU A 51 2.646 -20.876 3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.608 -21.524 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.347 -20.834 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.171 -22.705 1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.620 -23.467 1.461 1.00 0.00 H new ATOM 923 N LEU A 52 3.664 -18.795 0.974 1.00 0.00 N ATOM 924 CA LEU A 52 4.830 -18.299 0.251 1.00 0.00 C ATOM 925 C LEU A 52 6.076 -18.309 1.134 1.00 0.00 C ATOM 926 O LEU A 52 6.031 -17.893 2.292 1.00 0.00 O ATOM 927 CB LEU A 52 4.566 -16.885 -0.268 1.00 0.00 C ATOM 928 CG LEU A 52 4.079 -16.812 -1.719 1.00 0.00 C ATOM 929 CD1 LEU A 52 2.679 -16.226 -1.789 1.00 0.00 C ATOM 930 CD2 LEU A 52 5.042 -15.995 -2.566 1.00 0.00 C ATOM 0 H LEU A 52 2.864 -18.162 0.966 1.00 0.00 H new ATOM 0 HA LEU A 52 5.009 -18.964 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.823 -16.411 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.483 -16.303 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 52 4.045 -17.826 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.354 -16.184 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.993 -16.853 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.684 -15.220 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.679 -15.955 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.111 -14.984 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.028 -16.460 -2.548 1.00 0.00 H new ATOM 942 N PRO A 53 7.211 -18.785 0.590 1.00 0.00 N ATOM 943 CA PRO A 53 8.479 -18.848 1.324 1.00 0.00 C ATOM 944 C PRO A 53 9.177 -17.503 1.426 1.00 0.00 C ATOM 945 O PRO A 53 10.393 -17.436 1.603 1.00 0.00 O ATOM 946 CB PRO A 53 9.339 -19.775 0.482 1.00 0.00 C ATOM 947 CG PRO A 53 8.783 -19.707 -0.901 1.00 0.00 C ATOM 948 CD PRO A 53 7.339 -19.302 -0.786 1.00 0.00 C ATOM 0 HA PRO A 53 8.312 -19.178 2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.383 -19.462 0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.306 -20.794 0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.337 -18.986 -1.502 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.872 -20.673 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.080 -18.541 -1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.674 -20.149 -0.956 1.00 0.00 H new ATOM 956 N GLU A 54 8.414 -16.437 1.282 1.00 0.00 N ATOM 957 CA GLU A 54 8.964 -15.087 1.325 1.00 0.00 C ATOM 958 C GLU A 54 10.039 -14.917 0.253 1.00 0.00 C ATOM 959 O GLU A 54 10.777 -13.931 0.258 1.00 0.00 O ATOM 960 CB GLU A 54 9.546 -14.748 2.710 1.00 0.00 C ATOM 961 CG GLU A 54 9.423 -15.859 3.740 1.00 0.00 C ATOM 962 CD GLU A 54 9.447 -15.340 5.164 1.00 0.00 C ATOM 963 OE1 GLU A 54 8.364 -15.005 5.692 1.00 0.00 O ATOM 964 OE2 GLU A 54 10.545 -15.267 5.752 1.00 0.00 O ATOM 0 H GLU A 54 7.406 -16.476 1.133 1.00 0.00 H new ATOM 0 HA GLU A 54 8.144 -14.396 1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.600 -14.494 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.044 -13.859 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.494 -16.404 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.239 -16.569 3.602 1.00 0.00 H new ATOM 971 N LYS A 55 10.127 -15.880 -0.668 1.00 0.00 N ATOM 972 CA LYS A 55 11.114 -15.815 -1.732 1.00 0.00 C ATOM 973 C LYS A 55 10.596 -14.980 -2.900 1.00 0.00 C ATOM 974 O LYS A 55 11.374 -14.351 -3.619 1.00 0.00 O ATOM 975 CB LYS A 55 11.478 -17.222 -2.210 1.00 0.00 C ATOM 976 CG LYS A 55 12.182 -18.058 -1.155 1.00 0.00 C ATOM 977 CD LYS A 55 13.565 -17.511 -0.842 1.00 0.00 C ATOM 978 CE LYS A 55 14.178 -18.195 0.370 1.00 0.00 C ATOM 979 NZ LYS A 55 14.247 -17.285 1.548 1.00 0.00 N ATOM 0 H LYS A 55 9.528 -16.706 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 55 12.010 -15.336 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.570 -17.737 -2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.119 -17.144 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.583 -18.077 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.267 -19.088 -1.502 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.215 -17.649 -1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.500 -16.438 -0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.589 -19.076 0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.181 -18.543 0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.671 -17.790 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.830 -16.457 1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.288 -16.973 1.802 1.00 0.00 H new ATOM 993 N LYS A 56 9.278 -14.975 -3.081 1.00 0.00 N ATOM 994 CA LYS A 56 8.656 -14.213 -4.160 1.00 0.00 C ATOM 995 C LYS A 56 8.083 -12.898 -3.635 1.00 0.00 C ATOM 996 O LYS A 56 7.956 -11.925 -4.377 1.00 0.00 O ATOM 997 CB LYS A 56 7.553 -15.035 -4.828 1.00 0.00 C ATOM 998 CG LYS A 56 8.079 -16.201 -5.649 1.00 0.00 C ATOM 999 CD LYS A 56 7.034 -17.295 -5.795 1.00 0.00 C ATOM 1000 CE LYS A 56 7.167 -18.343 -4.701 1.00 0.00 C ATOM 1001 NZ LYS A 56 8.404 -19.156 -4.858 1.00 0.00 N ATOM 0 H LYS A 56 8.621 -15.490 -2.495 1.00 0.00 H new ATOM 0 HA LYS A 56 9.424 -13.986 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.879 -15.416 -4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.965 -14.383 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.377 -15.847 -6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.971 -16.609 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.038 -16.855 -5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.138 -17.771 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.176 -17.852 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.297 -18.999 -4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.296 -20.054 -4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.566 -19.351 -5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.215 -18.632 -4.472 1.00 0.00 H new ATOM 1015 N LYS A 57 7.751 -12.874 -2.348 1.00 0.00 N ATOM 1016 CA LYS A 57 7.204 -11.679 -1.717 1.00 0.00 C ATOM 1017 C LYS A 57 8.175 -10.524 -1.872 1.00 0.00 C ATOM 1018 O LYS A 57 7.768 -9.376 -2.055 1.00 0.00 O ATOM 1019 CB LYS A 57 6.912 -11.949 -0.242 1.00 0.00 C ATOM 1020 CG LYS A 57 5.964 -13.114 -0.030 1.00 0.00 C ATOM 1021 CD LYS A 57 5.909 -13.539 1.428 1.00 0.00 C ATOM 1022 CE LYS A 57 4.502 -13.428 1.991 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.507 -13.059 3.434 1.00 0.00 N ATOM 0 H LYS A 57 7.852 -13.672 -1.720 1.00 0.00 H new ATOM 0 HA LYS A 57 6.267 -11.412 -2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.849 -12.151 0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.485 -11.053 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.965 -12.835 -0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.282 -13.958 -0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.259 -14.567 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.586 -12.918 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.944 -12.680 1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.983 -14.378 1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.528 -12.994 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.018 -13.785 3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.979 -12.140 3.556 1.00 0.00 H new ATOM 1037 N MET A 58 9.467 -10.836 -1.838 1.00 0.00 N ATOM 1038 CA MET A 58 10.492 -9.826 -2.015 1.00 0.00 C ATOM 1039 C MET A 58 10.204 -9.019 -3.275 1.00 0.00 C ATOM 1040 O MET A 58 10.590 -7.858 -3.385 1.00 0.00 O ATOM 1041 CB MET A 58 11.867 -10.486 -2.112 1.00 0.00 C ATOM 1042 CG MET A 58 12.180 -11.414 -0.951 1.00 0.00 C ATOM 1043 SD MET A 58 13.949 -11.686 -0.736 1.00 0.00 S ATOM 1044 CE MET A 58 13.944 -12.975 0.508 1.00 0.00 C ATOM 0 H MET A 58 9.824 -11.780 -1.689 1.00 0.00 H new ATOM 0 HA MET A 58 10.488 -9.156 -1.155 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.925 -11.050 -3.043 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.631 -9.710 -2.162 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.767 -10.994 -0.034 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.686 -12.372 -1.114 1.00 0.00 H new ATOM 0 HE1 MET A 58 14.970 -13.253 0.748 1.00 0.00 H new ATOM 0 HE2 MET A 58 13.446 -12.611 1.407 1.00 0.00 H new ATOM 0 HE3 MET A 58 13.412 -13.847 0.127 1.00 0.00 H new ATOM 1054 N LYS A 59 9.499 -9.646 -4.216 1.00 0.00 N ATOM 1055 CA LYS A 59 9.128 -8.989 -5.462 1.00 0.00 C ATOM 1056 C LYS A 59 7.969 -8.029 -5.212 1.00 0.00 C ATOM 1057 O LYS A 59 8.017 -6.861 -5.600 1.00 0.00 O ATOM 1058 CB LYS A 59 8.759 -10.036 -6.525 1.00 0.00 C ATOM 1059 CG LYS A 59 7.307 -9.989 -6.987 1.00 0.00 C ATOM 1060 CD LYS A 59 7.039 -10.996 -8.093 1.00 0.00 C ATOM 1061 CE LYS A 59 7.084 -12.424 -7.573 1.00 0.00 C ATOM 1062 NZ LYS A 59 5.898 -13.213 -8.008 1.00 0.00 N ATOM 0 H LYS A 59 9.174 -10.610 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 59 9.977 -8.416 -5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.406 -9.899 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.967 -11.029 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.649 -10.192 -6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.070 -8.986 -7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.062 -10.800 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.778 -10.873 -8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.993 -12.910 -7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.132 -12.412 -6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.053 -14.219 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.054 -12.878 -7.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.758 -13.093 -9.032 1.00 0.00 H new ATOM 1076 N TYR A 60 6.932 -8.532 -4.545 1.00 0.00 N ATOM 1077 CA TYR A 60 5.767 -7.718 -4.224 1.00 0.00 C ATOM 1078 C TYR A 60 6.146 -6.605 -3.264 1.00 0.00 C ATOM 1079 O TYR A 60 5.864 -5.433 -3.511 1.00 0.00 O ATOM 1080 CB TYR A 60 4.674 -8.566 -3.588 1.00 0.00 C ATOM 1081 CG TYR A 60 4.176 -9.692 -4.457 1.00 0.00 C ATOM 1082 CD1 TYR A 60 3.734 -9.454 -5.751 1.00 0.00 C ATOM 1083 CD2 TYR A 60 4.139 -10.992 -3.978 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.269 -10.485 -6.543 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.679 -12.027 -4.762 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.244 -11.771 -6.046 1.00 0.00 C ATOM 1087 OH TYR A 60 2.783 -12.801 -6.832 1.00 0.00 O ATOM 0 H TYR A 60 6.877 -9.497 -4.218 1.00 0.00 H new ATOM 0 HA TYR A 60 5.395 -7.289 -5.155 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.051 -8.983 -2.654 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.833 -7.921 -3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.754 -8.448 -6.144 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.477 -11.197 -2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.926 -10.285 -7.547 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.659 -13.034 -4.373 1.00 0.00 H new ATOM 0 HH TYR A 60 1.851 -12.997 -6.601 1.00 0.00 H new ATOM 1097 N ILE A 61 6.788 -6.979 -2.159 1.00 0.00 N ATOM 1098 CA ILE A 61 7.199 -6.003 -1.162 1.00 0.00 C ATOM 1099 C ILE A 61 8.096 -4.946 -1.794 1.00 0.00 C ATOM 1100 O ILE A 61 7.952 -3.757 -1.516 1.00 0.00 O ATOM 1101 CB ILE A 61 7.923 -6.655 0.037 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.919 -7.381 0.933 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.675 -5.603 0.842 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.312 -8.610 0.298 1.00 0.00 C ATOM 0 H ILE A 61 7.032 -7.944 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 61 6.291 -5.535 -0.782 1.00 0.00 H new ATOM 0 HB ILE A 61 8.641 -7.380 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.415 -7.670 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.120 -6.690 1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.179 -6.080 1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.413 -5.116 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.971 -4.859 1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.611 -9.070 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.786 -8.326 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.101 -9.321 0.055 1.00 0.00 H new ATOM 1116 N GLN A 62 9.001 -5.382 -2.666 1.00 0.00 N ATOM 1117 CA GLN A 62 9.889 -4.457 -3.352 1.00 0.00 C ATOM 1118 C GLN A 62 9.073 -3.589 -4.288 1.00 0.00 C ATOM 1119 O GLN A 62 9.472 -2.478 -4.635 1.00 0.00 O ATOM 1120 CB GLN A 62 10.968 -5.208 -4.134 1.00 0.00 C ATOM 1121 CG GLN A 62 12.140 -5.657 -3.277 1.00 0.00 C ATOM 1122 CD GLN A 62 13.311 -4.698 -3.342 1.00 0.00 C ATOM 1123 OE1 GLN A 62 14.420 -5.077 -3.720 1.00 0.00 O ATOM 1124 NE2 GLN A 62 13.071 -3.446 -2.971 1.00 0.00 N ATOM 0 H GLN A 62 9.136 -6.363 -2.911 1.00 0.00 H new ATOM 0 HA GLN A 62 10.389 -3.833 -2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.520 -6.081 -4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.338 -4.566 -4.934 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.812 -5.754 -2.242 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.466 -6.645 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.137 -3.175 -2.665 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.821 -2.755 -2.993 1.00 0.00 H new ATOM 1133 N ASP A 63 7.907 -4.099 -4.672 1.00 0.00 N ATOM 1134 CA ASP A 63 7.010 -3.368 -5.543 1.00 0.00 C ATOM 1135 C ASP A 63 6.156 -2.417 -4.712 1.00 0.00 C ATOM 1136 O ASP A 63 5.644 -1.417 -5.214 1.00 0.00 O ATOM 1137 CB ASP A 63 6.118 -4.331 -6.329 1.00 0.00 C ATOM 1138 CG ASP A 63 5.702 -3.767 -7.672 1.00 0.00 C ATOM 1139 OD1 ASP A 63 5.561 -2.532 -7.780 1.00 0.00 O ATOM 1140 OD2 ASP A 63 5.515 -4.563 -8.618 1.00 0.00 O ATOM 0 H ASP A 63 7.566 -5.018 -4.390 1.00 0.00 H new ATOM 0 HA ASP A 63 7.600 -2.793 -6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.648 -5.271 -6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.228 -4.559 -5.742 1.00 0.00 H new ATOM 1145 N PHE A 64 6.018 -2.746 -3.429 1.00 0.00 N ATOM 1146 CA PHE A 64 5.240 -1.941 -2.502 1.00 0.00 C ATOM 1147 C PHE A 64 6.106 -0.840 -1.889 1.00 0.00 C ATOM 1148 O PHE A 64 5.708 0.324 -1.843 1.00 0.00 O ATOM 1149 CB PHE A 64 4.657 -2.847 -1.406 1.00 0.00 C ATOM 1150 CG PHE A 64 4.805 -2.310 -0.010 1.00 0.00 C ATOM 1151 CD1 PHE A 64 3.930 -1.352 0.475 1.00 0.00 C ATOM 1152 CD2 PHE A 64 5.822 -2.764 0.813 1.00 0.00 C ATOM 1153 CE1 PHE A 64 4.065 -0.855 1.757 1.00 0.00 C ATOM 1154 CE2 PHE A 64 5.963 -2.272 2.097 1.00 0.00 C ATOM 1155 CZ PHE A 64 5.083 -1.316 2.570 1.00 0.00 C ATOM 0 H PHE A 64 6.441 -3.574 -3.009 1.00 0.00 H new ATOM 0 HA PHE A 64 4.423 -1.462 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.598 -3.007 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.143 -3.821 -1.461 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.133 -0.989 -0.157 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.512 -3.510 0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.376 -0.108 2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.760 -2.634 2.730 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.191 -0.930 3.573 1.00 0.00 H new ATOM 1165 N GLN A 65 7.285 -1.224 -1.407 1.00 0.00 N ATOM 1166 CA GLN A 65 8.202 -0.278 -0.782 1.00 0.00 C ATOM 1167 C GLN A 65 8.737 0.734 -1.791 1.00 0.00 C ATOM 1168 O GLN A 65 8.786 1.931 -1.511 1.00 0.00 O ATOM 1169 CB GLN A 65 9.364 -1.020 -0.118 1.00 0.00 C ATOM 1170 CG GLN A 65 10.265 -1.749 -1.101 1.00 0.00 C ATOM 1171 CD GLN A 65 11.463 -2.390 -0.427 1.00 0.00 C ATOM 1172 OE1 GLN A 65 12.610 -2.097 -0.764 1.00 0.00 O ATOM 1173 NE2 GLN A 65 11.201 -3.272 0.531 1.00 0.00 N ATOM 0 H GLN A 65 7.627 -2.184 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 65 7.644 0.268 -0.021 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.962 -0.307 0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.963 -1.739 0.596 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.688 -2.517 -1.616 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.612 -1.048 -1.860 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.234 -3.485 0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.966 -3.737 1.020 1.00 0.00 H new ATOM 1182 N ARG A 66 9.141 0.253 -2.964 1.00 0.00 N ATOM 1183 CA ARG A 66 9.677 1.128 -4.004 1.00 0.00 C ATOM 1184 C ARG A 66 8.783 2.348 -4.213 1.00 0.00 C ATOM 1185 O ARG A 66 9.253 3.414 -4.608 1.00 0.00 O ATOM 1186 CB ARG A 66 9.836 0.364 -5.320 1.00 0.00 C ATOM 1187 CG ARG A 66 8.515 -0.048 -5.951 1.00 0.00 C ATOM 1188 CD ARG A 66 8.292 0.646 -7.286 1.00 0.00 C ATOM 1189 NE ARG A 66 7.162 0.077 -8.017 1.00 0.00 N ATOM 1190 CZ ARG A 66 6.517 0.708 -8.996 1.00 0.00 C ATOM 1191 NH1 ARG A 66 6.889 1.927 -9.367 1.00 0.00 N ATOM 1192 NH2 ARG A 66 5.498 0.118 -9.606 1.00 0.00 N ATOM 0 H ARG A 66 9.108 -0.734 -3.218 1.00 0.00 H new ATOM 0 HA ARG A 66 10.657 1.474 -3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.388 0.985 -6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.437 -0.528 -5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.501 -1.128 -6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.696 0.194 -5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.117 1.708 -7.117 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.194 0.564 -7.892 1.00 0.00 H new ATOM 0 HE ARG A 66 6.849 -0.860 -7.762 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.673 2.385 -8.901 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.391 2.406 -10.118 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.209 -0.819 -9.325 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.004 0.601 -10.356 1.00 0.00 H new ATOM 1206 N GLU A 67 7.492 2.181 -3.943 1.00 0.00 N ATOM 1207 CA GLU A 67 6.535 3.268 -4.101 1.00 0.00 C ATOM 1208 C GLU A 67 6.217 3.919 -2.759 1.00 0.00 C ATOM 1209 O GLU A 67 6.406 5.122 -2.581 1.00 0.00 O ATOM 1210 CB GLU A 67 5.248 2.752 -4.747 1.00 0.00 C ATOM 1211 CG GLU A 67 5.333 2.626 -6.259 1.00 0.00 C ATOM 1212 CD GLU A 67 4.017 2.932 -6.945 1.00 0.00 C ATOM 1213 OE1 GLU A 67 2.993 2.327 -6.561 1.00 0.00 O ATOM 1214 OE2 GLU A 67 4.009 3.775 -7.867 1.00 0.00 O ATOM 0 H GLU A 67 7.086 1.305 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 67 6.985 4.020 -4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.004 1.778 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.429 3.425 -4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.100 3.304 -6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.647 1.615 -6.518 1.00 0.00 H new ATOM 1221 N LYS A 68 5.727 3.117 -1.817 1.00 0.00 N ATOM 1222 CA LYS A 68 5.373 3.616 -0.489 1.00 0.00 C ATOM 1223 C LYS A 68 6.544 4.326 0.170 1.00 0.00 C ATOM 1224 O LYS A 68 6.394 5.415 0.722 1.00 0.00 O ATOM 1225 CB LYS A 68 4.889 2.467 0.400 1.00 0.00 C ATOM 1226 CG LYS A 68 3.375 2.378 0.508 1.00 0.00 C ATOM 1227 CD LYS A 68 2.790 3.615 1.173 1.00 0.00 C ATOM 1228 CE LYS A 68 2.591 3.406 2.665 1.00 0.00 C ATOM 1229 NZ LYS A 68 1.511 4.274 3.210 1.00 0.00 N ATOM 0 H LYS A 68 5.566 2.118 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 68 4.567 4.339 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.273 1.526 0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.310 2.589 1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.945 2.260 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.101 1.492 1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.453 4.465 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.835 3.861 0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.347 2.361 2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.524 3.616 3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.408 4.100 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.755 5.272 3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.615 4.056 2.729 1.00 0.00 H new ATOM 1243 N GLN A 69 7.708 3.701 0.110 1.00 0.00 N ATOM 1244 CA GLN A 69 8.912 4.266 0.702 1.00 0.00 C ATOM 1245 C GLN A 69 9.130 5.708 0.252 1.00 0.00 C ATOM 1246 O GLN A 69 9.342 6.600 1.073 1.00 0.00 O ATOM 1247 CB GLN A 69 10.111 3.414 0.312 1.00 0.00 C ATOM 1248 CG GLN A 69 11.361 3.704 1.126 1.00 0.00 C ATOM 1249 CD GLN A 69 12.020 2.444 1.655 1.00 0.00 C ATOM 1250 OE1 GLN A 69 11.543 1.837 2.615 1.00 0.00 O ATOM 1251 NE2 GLN A 69 13.122 2.044 1.031 1.00 0.00 N ATOM 0 H GLN A 69 7.846 2.798 -0.344 1.00 0.00 H new ATOM 0 HA GLN A 69 8.795 4.270 1.786 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.850 2.362 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.331 3.574 -0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.074 4.250 0.508 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.102 4.353 1.963 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.482 2.577 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 69 13.608 1.203 1.343 1.00 0.00 H new ATOM 1260 N GLU A 70 9.081 5.929 -1.058 1.00 0.00 N ATOM 1261 CA GLU A 70 9.276 7.261 -1.618 1.00 0.00 C ATOM 1262 C GLU A 70 8.002 8.103 -1.530 1.00 0.00 C ATOM 1263 O GLU A 70 7.987 9.260 -1.951 1.00 0.00 O ATOM 1264 CB GLU A 70 9.734 7.159 -3.075 1.00 0.00 C ATOM 1265 CG GLU A 70 11.039 7.885 -3.356 1.00 0.00 C ATOM 1266 CD GLU A 70 11.002 9.338 -2.924 1.00 0.00 C ATOM 1267 OE1 GLU A 70 10.114 10.075 -3.398 1.00 0.00 O ATOM 1268 OE2 GLU A 70 11.863 9.736 -2.111 1.00 0.00 O ATOM 0 H GLU A 70 8.908 5.202 -1.752 1.00 0.00 H new ATOM 0 HA GLU A 70 10.047 7.757 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.849 6.107 -3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.956 7.565 -3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.852 7.376 -2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.258 7.832 -4.423 1.00 0.00 H new ATOM 1275 N PHE A 71 6.934 7.523 -0.989 1.00 0.00 N ATOM 1276 CA PHE A 71 5.667 8.234 -0.863 1.00 0.00 C ATOM 1277 C PHE A 71 5.454 8.763 0.553 1.00 0.00 C ATOM 1278 O PHE A 71 4.934 9.861 0.740 1.00 0.00 O ATOM 1279 CB PHE A 71 4.501 7.321 -1.256 1.00 0.00 C ATOM 1280 CG PHE A 71 3.443 8.017 -2.060 1.00 0.00 C ATOM 1281 CD1 PHE A 71 2.896 9.213 -1.622 1.00 0.00 C ATOM 1282 CD2 PHE A 71 2.996 7.479 -3.256 1.00 0.00 C ATOM 1283 CE1 PHE A 71 1.923 9.858 -2.361 1.00 0.00 C ATOM 1284 CE2 PHE A 71 2.024 8.118 -3.999 1.00 0.00 C ATOM 1285 CZ PHE A 71 1.487 9.310 -3.551 1.00 0.00 C ATOM 0 H PHE A 71 6.921 6.567 -0.633 1.00 0.00 H new ATOM 0 HA PHE A 71 5.704 9.087 -1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.887 6.478 -1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.049 6.912 -0.352 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.234 9.646 -0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.413 6.548 -3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.504 10.789 -2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.684 7.687 -4.929 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.727 9.812 -4.131 1.00 0.00 H new ATOM 1295 N GLU A 72 5.838 7.973 1.549 1.00 0.00 N ATOM 1296 CA GLU A 72 5.662 8.365 2.945 1.00 0.00 C ATOM 1297 C GLU A 72 6.953 8.901 3.569 1.00 0.00 C ATOM 1298 O GLU A 72 6.969 9.254 4.749 1.00 0.00 O ATOM 1299 CB GLU A 72 5.146 7.177 3.761 1.00 0.00 C ATOM 1300 CG GLU A 72 3.659 7.255 4.071 1.00 0.00 C ATOM 1301 CD GLU A 72 3.342 8.268 5.153 1.00 0.00 C ATOM 1302 OE1 GLU A 72 3.726 9.446 4.995 1.00 0.00 O ATOM 1303 OE2 GLU A 72 2.710 7.883 6.160 1.00 0.00 O ATOM 0 H GLU A 72 6.272 7.059 1.418 1.00 0.00 H new ATOM 0 HA GLU A 72 4.932 9.174 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.347 6.256 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.702 7.120 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.115 7.516 3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.305 6.273 4.383 1.00 0.00 H new ATOM 1310 N ARG A 73 8.032 8.949 2.796 1.00 0.00 N ATOM 1311 CA ARG A 73 9.309 9.432 3.320 1.00 0.00 C ATOM 1312 C ARG A 73 9.451 10.947 3.181 1.00 0.00 C ATOM 1313 O ARG A 73 9.921 11.615 4.102 1.00 0.00 O ATOM 1314 CB ARG A 73 10.477 8.726 2.627 1.00 0.00 C ATOM 1315 CG ARG A 73 10.586 9.028 1.141 1.00 0.00 C ATOM 1316 CD ARG A 73 11.576 10.150 0.874 1.00 0.00 C ATOM 1317 NE ARG A 73 12.899 9.638 0.523 1.00 0.00 N ATOM 1318 CZ ARG A 73 14.021 10.349 0.623 1.00 0.00 C ATOM 1319 NH1 ARG A 73 13.986 11.602 1.059 1.00 0.00 N ATOM 1320 NH2 ARG A 73 15.182 9.803 0.285 1.00 0.00 N ATOM 0 H ARG A 73 8.052 8.664 1.817 1.00 0.00 H new ATOM 0 HA ARG A 73 9.329 9.196 4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 73 11.407 9.018 3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.370 7.650 2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.899 8.130 0.608 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.606 9.305 0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.203 10.778 0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.655 10.783 1.758 1.00 0.00 H new ATOM 0 HE ARG A 73 12.967 8.679 0.181 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.096 12.026 1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.849 12.141 1.133 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.214 8.840 -0.051 1.00 0.00 H new ATOM 0 HH22 ARG A 73 16.042 10.346 0.361 1.00 0.00 H new ATOM 1334 N ASN A 74 9.061 11.491 2.030 1.00 0.00 N ATOM 1335 CA ASN A 74 9.171 12.929 1.800 1.00 0.00 C ATOM 1336 C ASN A 74 7.833 13.641 2.000 1.00 0.00 C ATOM 1337 O ASN A 74 7.763 14.655 2.695 1.00 0.00 O ATOM 1338 CB ASN A 74 9.711 13.207 0.395 1.00 0.00 C ATOM 1339 CG ASN A 74 8.739 12.808 -0.697 1.00 0.00 C ATOM 1340 OD1 ASN A 74 8.011 13.645 -1.231 1.00 0.00 O ATOM 1341 ND2 ASN A 74 8.723 11.525 -1.036 1.00 0.00 N ATOM 0 H ASN A 74 8.670 10.964 1.249 1.00 0.00 H new ATOM 0 HA ASN A 74 9.871 13.324 2.537 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.939 14.269 0.302 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.647 12.666 0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.090 11.198 -1.766 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.344 10.866 -0.567 1.00 0.00 H new ATOM 1348 N LEU A 75 6.780 13.115 1.385 1.00 0.00 N ATOM 1349 CA LEU A 75 5.452 13.714 1.496 1.00 0.00 C ATOM 1350 C LEU A 75 4.941 13.666 2.933 1.00 0.00 C ATOM 1351 O LEU A 75 4.068 14.446 3.316 1.00 0.00 O ATOM 1352 CB LEU A 75 4.462 12.999 0.572 1.00 0.00 C ATOM 1353 CG LEU A 75 4.535 13.397 -0.904 1.00 0.00 C ATOM 1354 CD1 LEU A 75 5.543 12.533 -1.646 1.00 0.00 C ATOM 1355 CD2 LEU A 75 3.160 13.285 -1.548 1.00 0.00 C ATOM 0 H LEU A 75 6.818 12.277 0.805 1.00 0.00 H new ATOM 0 HA LEU A 75 5.535 14.758 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.630 11.925 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.451 13.191 0.933 1.00 0.00 H new ATOM 0 HG LEU A 75 4.866 14.434 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.578 12.833 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.529 12.659 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.245 11.487 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.226 13.571 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.806 12.257 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.463 13.947 -1.035 1.00 0.00 H new ATOM 1367 N ALA A 76 5.482 12.743 3.724 1.00 0.00 N ATOM 1368 CA ALA A 76 5.074 12.591 5.117 1.00 0.00 C ATOM 1369 C ALA A 76 5.066 13.931 5.851 1.00 0.00 C ATOM 1370 O ALA A 76 4.008 14.521 6.071 1.00 0.00 O ATOM 1371 CB ALA A 76 5.989 11.604 5.827 1.00 0.00 C ATOM 0 H ALA A 76 6.205 12.089 3.423 1.00 0.00 H new ATOM 0 HA ALA A 76 4.055 12.204 5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.675 11.499 6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.933 10.635 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.015 11.970 5.794 1.00 0.00 H new ATOM 1377 N ARG A 77 6.247 14.405 6.229 1.00 0.00 N ATOM 1378 CA ARG A 77 6.369 15.674 6.939 1.00 0.00 C ATOM 1379 C ARG A 77 6.278 16.866 5.984 1.00 0.00 C ATOM 1380 O ARG A 77 6.369 18.019 6.409 1.00 0.00 O ATOM 1381 CB ARG A 77 7.692 15.725 7.707 1.00 0.00 C ATOM 1382 CG ARG A 77 7.580 16.404 9.063 1.00 0.00 C ATOM 1383 CD ARG A 77 8.730 17.370 9.307 1.00 0.00 C ATOM 1384 NE ARG A 77 9.658 16.873 10.320 1.00 0.00 N ATOM 1385 CZ ARG A 77 10.716 17.553 10.751 1.00 0.00 C ATOM 1386 NH1 ARG A 77 10.986 18.757 10.264 1.00 0.00 N ATOM 1387 NH2 ARG A 77 11.509 17.027 11.676 1.00 0.00 N ATOM 0 H ARG A 77 7.133 13.931 6.056 1.00 0.00 H new ATOM 0 HA ARG A 77 5.538 15.740 7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.061 14.709 7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 77 8.432 16.252 7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.634 16.942 9.123 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.567 15.648 9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.268 17.536 8.374 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.332 18.335 9.622 1.00 0.00 H new ATOM 0 HE ARG A 77 9.484 15.951 10.720 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.380 19.167 9.554 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.800 19.272 10.600 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.306 16.102 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.321 17.548 12.008 1.00 0.00 H new ATOM 1401 N PHE A 78 6.105 16.588 4.692 1.00 0.00 N ATOM 1402 CA PHE A 78 6.008 17.644 3.688 1.00 0.00 C ATOM 1403 C PHE A 78 4.958 18.685 4.070 1.00 0.00 C ATOM 1404 O PHE A 78 5.294 19.801 4.466 1.00 0.00 O ATOM 1405 CB PHE A 78 5.678 17.046 2.319 1.00 0.00 C ATOM 1406 CG PHE A 78 5.664 18.058 1.209 1.00 0.00 C ATOM 1407 CD1 PHE A 78 6.839 18.419 0.569 1.00 0.00 C ATOM 1408 CD2 PHE A 78 4.477 18.648 0.807 1.00 0.00 C ATOM 1409 CE1 PHE A 78 6.829 19.349 -0.453 1.00 0.00 C ATOM 1410 CE2 PHE A 78 4.461 19.579 -0.214 1.00 0.00 C ATOM 1411 CZ PHE A 78 5.639 19.931 -0.845 1.00 0.00 C ATOM 0 H PHE A 78 6.029 15.642 4.318 1.00 0.00 H new ATOM 0 HA PHE A 78 6.975 18.144 3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 78 6.408 16.272 2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.703 16.560 2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.773 17.969 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.553 18.377 1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.751 19.621 -0.945 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.529 20.031 -0.519 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.629 20.659 -1.643 1.00 0.00 H new ATOM 1421 N ARG A 79 3.683 18.320 3.939 1.00 0.00 N ATOM 1422 CA ARG A 79 2.595 19.234 4.265 1.00 0.00 C ATOM 1423 C ARG A 79 2.007 18.939 5.652 1.00 0.00 C ATOM 1424 O ARG A 79 2.570 19.352 6.664 1.00 0.00 O ATOM 1425 CB ARG A 79 1.512 19.169 3.181 1.00 0.00 C ATOM 1426 CG ARG A 79 0.326 20.087 3.444 1.00 0.00 C ATOM 1427 CD ARG A 79 -0.728 19.965 2.356 1.00 0.00 C ATOM 1428 NE ARG A 79 -2.015 19.520 2.887 1.00 0.00 N ATOM 1429 CZ ARG A 79 -3.171 19.653 2.239 1.00 0.00 C ATOM 1430 NH1 ARG A 79 -3.205 20.218 1.039 1.00 0.00 N ATOM 1431 NH2 ARG A 79 -4.295 19.219 2.793 1.00 0.00 N ATOM 0 H ARG A 79 3.382 17.402 3.611 1.00 0.00 H new ATOM 0 HA ARG A 79 2.998 20.246 4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.956 19.430 2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.154 18.143 3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.117 19.843 4.409 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.670 21.119 3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.853 20.929 1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.386 19.261 1.597 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.029 19.082 3.808 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.343 20.553 0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.093 20.317 0.547 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.274 18.784 3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.180 19.321 2.297 1.00 0.00 H new ATOM 1445 N GLU A 80 0.873 18.237 5.697 1.00 0.00 N ATOM 1446 CA GLU A 80 0.228 17.913 6.966 1.00 0.00 C ATOM 1447 C GLU A 80 0.532 16.481 7.399 1.00 0.00 C ATOM 1448 O GLU A 80 1.324 16.256 8.315 1.00 0.00 O ATOM 1449 CB GLU A 80 -1.285 18.111 6.854 1.00 0.00 C ATOM 1450 CG GLU A 80 -1.742 19.517 7.210 1.00 0.00 C ATOM 1451 CD GLU A 80 -1.927 19.706 8.704 1.00 0.00 C ATOM 1452 OE1 GLU A 80 -0.912 19.737 9.429 1.00 0.00 O ATOM 1453 OE2 GLU A 80 -3.090 19.825 9.146 1.00 0.00 O ATOM 0 H GLU A 80 0.386 17.885 4.873 1.00 0.00 H new ATOM 0 HA GLU A 80 0.628 18.587 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.599 17.883 5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.786 17.398 7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.010 20.237 6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.682 19.730 6.701 1.00 0.00 H new ATOM 1460 N ASP A 81 -0.111 15.521 6.741 1.00 0.00 N ATOM 1461 CA ASP A 81 0.076 14.108 7.057 1.00 0.00 C ATOM 1462 C ASP A 81 -0.466 13.788 8.448 1.00 0.00 C ATOM 1463 O ASP A 81 0.239 13.924 9.447 1.00 0.00 O ATOM 1464 CB ASP A 81 1.556 13.723 6.966 1.00 0.00 C ATOM 1465 CG ASP A 81 1.808 12.276 7.347 1.00 0.00 C ATOM 1466 OD1 ASP A 81 1.519 11.909 8.505 1.00 0.00 O ATOM 1467 OD2 ASP A 81 2.295 11.511 6.489 1.00 0.00 O ATOM 0 H ASP A 81 -0.769 15.697 5.982 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.481 13.524 6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.910 13.894 5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.137 14.373 7.620 1.00 0.00 H new ATOM 1472 N HIS A 82 -1.722 13.358 8.500 1.00 0.00 N ATOM 1473 CA HIS A 82 -2.363 13.012 9.764 1.00 0.00 C ATOM 1474 C HIS A 82 -3.777 12.482 9.532 1.00 0.00 C ATOM 1475 O HIS A 82 -4.126 11.400 10.004 1.00 0.00 O ATOM 1476 CB HIS A 82 -2.399 14.227 10.696 1.00 0.00 C ATOM 1477 CG HIS A 82 -1.747 13.983 12.023 1.00 0.00 C ATOM 1478 ND1 HIS A 82 -1.128 14.976 12.753 1.00 0.00 N ATOM 1479 CD2 HIS A 82 -1.621 12.847 12.751 1.00 0.00 C ATOM 1480 CE1 HIS A 82 -0.648 14.463 13.871 1.00 0.00 C ATOM 1481 NE2 HIS A 82 -0.935 13.174 13.895 1.00 0.00 N ATOM 0 H HIS A 82 -2.317 13.240 7.680 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.776 12.224 10.236 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.904 15.065 10.206 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.436 14.520 10.858 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.991 11.868 12.482 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -0.112 15.005 14.636 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -0.687 12.526 14.643 1.00 0.00 H new ATOM 1490 N PRO A 83 -4.615 13.236 8.794 1.00 0.00 N ATOM 1491 CA PRO A 83 -5.991 12.828 8.501 1.00 0.00 C ATOM 1492 C PRO A 83 -6.048 11.639 7.548 1.00 0.00 C ATOM 1493 O PRO A 83 -5.043 11.269 6.941 1.00 0.00 O ATOM 1494 CB PRO A 83 -6.617 14.070 7.843 1.00 0.00 C ATOM 1495 CG PRO A 83 -5.643 15.180 8.070 1.00 0.00 C ATOM 1496 CD PRO A 83 -4.294 14.533 8.187 1.00 0.00 C ATOM 0 HA PRO A 83 -6.514 12.505 9.401 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.784 13.907 6.778 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.586 14.302 8.286 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.664 15.891 7.244 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.889 15.735 8.975 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.813 14.418 7.215 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.617 15.116 8.811 1.00 0.00 H new ATOM 1504 N ASP A 84 -7.231 11.046 7.418 1.00 0.00 N ATOM 1505 CA ASP A 84 -7.418 9.899 6.536 1.00 0.00 C ATOM 1506 C ASP A 84 -8.468 10.200 5.471 1.00 0.00 C ATOM 1507 O ASP A 84 -9.613 10.523 5.787 1.00 0.00 O ATOM 1508 CB ASP A 84 -7.833 8.668 7.344 1.00 0.00 C ATOM 1509 CG ASP A 84 -7.367 7.374 6.705 1.00 0.00 C ATOM 1510 OD1 ASP A 84 -7.657 7.165 5.510 1.00 0.00 O ATOM 1511 OD2 ASP A 84 -6.711 6.571 7.402 1.00 0.00 O ATOM 0 H ASP A 84 -8.074 11.340 7.912 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.469 9.695 6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.422 8.742 8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.918 8.651 7.444 1.00 0.00 H new ATOM 1516 N LEU A 85 -8.071 10.092 4.207 1.00 0.00 N ATOM 1517 CA LEU A 85 -8.978 10.355 3.096 1.00 0.00 C ATOM 1518 C LEU A 85 -8.412 9.809 1.788 1.00 0.00 C ATOM 1519 O LEU A 85 -7.238 10.014 1.474 1.00 0.00 O ATOM 1520 CB LEU A 85 -9.239 11.857 2.969 1.00 0.00 C ATOM 1521 CG LEU A 85 -10.708 12.250 2.805 1.00 0.00 C ATOM 1522 CD1 LEU A 85 -11.502 11.882 4.049 1.00 0.00 C ATOM 1523 CD2 LEU A 85 -10.832 13.737 2.513 1.00 0.00 C ATOM 0 H LEU A 85 -7.127 9.824 3.927 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.920 9.847 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.843 12.355 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.680 12.236 2.113 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.119 11.698 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.545 12.169 3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.441 10.806 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.090 12.406 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.884 13.999 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.403 14.307 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.298 13.973 1.593 1.00 0.00 H new ATOM 1535 N ILE A 86 -9.253 9.114 1.029 1.00 0.00 N ATOM 1536 CA ILE A 86 -8.838 8.541 -0.246 1.00 0.00 C ATOM 1537 C ILE A 86 -9.035 9.537 -1.386 1.00 0.00 C ATOM 1538 O ILE A 86 -9.992 9.439 -2.154 1.00 0.00 O ATOM 1539 CB ILE A 86 -9.616 7.243 -0.554 1.00 0.00 C ATOM 1540 CG1 ILE A 86 -9.113 6.607 -1.853 1.00 0.00 C ATOM 1541 CG2 ILE A 86 -11.111 7.522 -0.636 1.00 0.00 C ATOM 1542 CD1 ILE A 86 -7.801 5.868 -1.696 1.00 0.00 C ATOM 0 H ILE A 86 -10.226 8.934 1.275 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.777 8.304 -0.163 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.443 6.539 0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.868 5.915 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.994 7.385 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -11.643 6.596 -0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -11.459 7.925 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -11.303 8.245 -1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.505 5.443 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.032 6.560 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.920 5.067 -0.966 1.00 0.00 H new ATOM 1554 N GLN A 87 -8.122 10.498 -1.489 1.00 0.00 N ATOM 1555 CA GLN A 87 -8.196 11.514 -2.532 1.00 0.00 C ATOM 1556 C GLN A 87 -7.147 11.266 -3.614 1.00 0.00 C ATOM 1557 O GLN A 87 -6.551 10.190 -3.678 1.00 0.00 O ATOM 1558 CB GLN A 87 -8.006 12.907 -1.929 1.00 0.00 C ATOM 1559 CG GLN A 87 -9.009 13.931 -2.433 1.00 0.00 C ATOM 1560 CD GLN A 87 -10.391 13.732 -1.846 1.00 0.00 C ATOM 1561 OE1 GLN A 87 -10.862 12.602 -1.703 1.00 0.00 O ATOM 1562 NE2 GLN A 87 -11.052 14.831 -1.504 1.00 0.00 N ATOM 0 H GLN A 87 -7.323 10.594 -0.863 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.183 11.455 -2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.084 12.838 -0.844 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.998 13.257 -2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.655 14.932 -2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -9.068 13.872 -3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.624 15.747 -1.640 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.988 14.760 -1.105 1.00 0.00 H new ATOM 1571 N ASN A 88 -6.929 12.266 -4.463 1.00 0.00 N ATOM 1572 CA ASN A 88 -5.953 12.159 -5.542 1.00 0.00 C ATOM 1573 C ASN A 88 -6.368 11.087 -6.545 1.00 0.00 C ATOM 1574 O ASN A 88 -6.170 9.895 -6.313 1.00 0.00 O ATOM 1575 CB ASN A 88 -4.567 11.840 -4.979 1.00 0.00 C ATOM 1576 CG ASN A 88 -4.133 12.832 -3.918 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -3.509 13.849 -4.222 1.00 0.00 O ATOM 1578 ND2 ASN A 88 -4.461 12.541 -2.665 1.00 0.00 N ATOM 0 H ASN A 88 -7.416 13.161 -4.424 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.913 13.119 -6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.573 10.836 -4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.839 11.838 -5.791 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.195 13.172 -1.909 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.979 11.687 -2.459 1.00 0.00 H new ATOM 1585 N ALA A 89 -6.944 11.521 -7.662 1.00 0.00 N ATOM 1586 CA ALA A 89 -7.388 10.601 -8.701 1.00 0.00 C ATOM 1587 C ALA A 89 -6.267 10.308 -9.692 1.00 0.00 C ATOM 1588 O ALA A 89 -5.191 10.903 -9.623 1.00 0.00 O ATOM 1589 CB ALA A 89 -8.599 11.168 -9.426 1.00 0.00 C ATOM 0 H ALA A 89 -7.114 12.505 -7.870 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.670 9.663 -8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.920 10.470 -10.199 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.411 11.320 -8.715 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.335 12.121 -9.884 1.00 0.00 H new ATOM 1595 N LYS A 90 -6.526 9.386 -10.615 1.00 0.00 N ATOM 1596 CA LYS A 90 -5.540 9.013 -11.622 1.00 0.00 C ATOM 1597 C LYS A 90 -5.981 9.467 -13.009 1.00 0.00 C ATOM 1598 O LYS A 90 -5.364 10.346 -13.613 1.00 0.00 O ATOM 1599 CB LYS A 90 -5.320 7.498 -11.613 1.00 0.00 C ATOM 1600 CG LYS A 90 -4.061 7.071 -10.874 1.00 0.00 C ATOM 1601 CD LYS A 90 -2.850 7.064 -11.793 1.00 0.00 C ATOM 1602 CE LYS A 90 -2.574 5.671 -12.338 1.00 0.00 C ATOM 1603 NZ LYS A 90 -1.333 5.635 -13.161 1.00 0.00 N ATOM 0 H LYS A 90 -7.411 8.884 -10.686 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.601 9.511 -11.379 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.183 7.017 -11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.267 7.141 -12.641 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.881 7.748 -10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.205 6.076 -10.453 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.016 7.754 -12.621 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.976 7.423 -11.249 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.481 4.968 -11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.420 5.343 -12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.179 4.669 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.431 6.287 -13.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.522 5.924 -12.578 1.00 0.00 H new ATOM 1617 N LYS A 91 -7.055 8.863 -13.510 1.00 0.00 N ATOM 1618 CA LYS A 91 -7.580 9.206 -14.827 1.00 0.00 C ATOM 1619 C LYS A 91 -8.988 8.650 -15.013 1.00 0.00 C ATOM 1620 O LYS A 91 -9.332 7.670 -14.318 1.00 0.00 O ATOM 1621 CB LYS A 91 -6.655 8.670 -15.924 1.00 0.00 C ATOM 1622 CG LYS A 91 -5.737 9.728 -16.517 1.00 0.00 C ATOM 1623 CD LYS A 91 -6.264 10.241 -17.846 1.00 0.00 C ATOM 1624 CE LYS A 91 -5.528 11.495 -18.290 1.00 0.00 C ATOM 1625 NZ LYS A 91 -5.439 11.590 -19.774 1.00 0.00 N ATOM 0 H LYS A 91 -7.578 8.134 -13.024 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.626 10.292 -14.901 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.048 7.863 -15.514 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.261 8.239 -16.721 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.639 10.559 -15.818 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.740 9.309 -16.657 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.156 9.466 -18.605 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.329 10.455 -17.758 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.041 12.374 -17.900 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.524 11.497 -17.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.930 12.458 -20.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.928 10.764 -20.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.397 11.614 -20.178 1.00 0.00 H new TER 1639 LYS A 91