USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=18 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 25 LYS NZ :NH3+ -163:sc= -0.0784 (180deg=-0.38) USER MOD Set 1.2: A 29 TYR OH : rot 130:sc=-0.00211 USER MOD Set 1.3: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 33 HIS : no HE2:sc= -7.42! C(o=-11!,f=-13!) USER MOD Set 2.2: A 36 MET CE :methyl -142:sc= -3.7 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= 0 (180deg=-0.0784) 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+ -168:sc= 1.15 (180deg=0.986) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= -0.548 K(o=-0.55,f=-1.2) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.262) USER MOD Single : A 16 THR OG1 : rot 180:sc= -2.12! USER MOD Single : A 18 TYR OH : rot -30:sc= -1.97 USER MOD Single : A 23 MET CE :methyl -134:sc= 0 (180deg=-0.0515) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0472 USER MOD Single : A 38 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.073) USER MOD Single : A 42 THR OG1 : rot 96:sc= 1.06 USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00139) USER MOD Single : A 46 SER OG : rot 9:sc= 0.462! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 131:sc= -1.09 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+ -143:sc= -0.0365 (180deg=-0.338) 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 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.9!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.33) USER MOD Single : A 74 ASN : amide:sc= -3.73! C(o=-3.7!,f=-2.9!) USER MOD Single : A 82 HIS : no HD1:sc= -0.883 K(o=-0.88,f=0.024) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0.0935 X(o=0.093,f=0.2) 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 1.717 18.628 -12.091 1.00 0.00 N ATOM 2 CA MET A 1 1.263 19.177 -10.786 1.00 0.00 C ATOM 3 C MET A 1 -0.226 19.506 -10.813 1.00 0.00 C ATOM 4 O MET A 1 -0.994 19.019 -9.984 1.00 0.00 O ATOM 5 CB MET A 1 2.076 20.436 -10.478 1.00 0.00 C ATOM 6 CG MET A 1 3.500 20.148 -10.032 1.00 0.00 C ATOM 7 SD MET A 1 3.651 20.002 -8.241 1.00 0.00 S ATOM 8 CE MET A 1 5.075 18.926 -8.107 1.00 0.00 C ATOM 0 H1 MET A 1 2.497 17.959 -11.933 1.00 0.00 H new ATOM 0 H2 MET A 1 0.927 18.136 -12.554 1.00 0.00 H new ATOM 0 H3 MET A 1 2.045 19.405 -12.699 1.00 0.00 H new ATOM 0 HA MET A 1 1.419 18.428 -10.009 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.103 21.067 -11.366 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.568 21.004 -9.699 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.843 19.224 -10.498 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.155 20.945 -10.384 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.294 18.742 -7.055 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.864 17.980 -8.605 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.935 19.400 -8.579 1.00 0.00 H new ATOM 20 N LYS A 2 -0.627 20.333 -11.773 1.00 0.00 N ATOM 21 CA LYS A 2 -2.024 20.728 -11.908 1.00 0.00 C ATOM 22 C LYS A 2 -2.902 19.520 -12.215 1.00 0.00 C ATOM 23 O LYS A 2 -2.455 18.555 -12.834 1.00 0.00 O ATOM 24 CB LYS A 2 -2.175 21.779 -13.010 1.00 0.00 C ATOM 25 CG LYS A 2 -3.169 22.878 -12.670 1.00 0.00 C ATOM 26 CD LYS A 2 -2.652 24.246 -13.083 1.00 0.00 C ATOM 27 CE LYS A 2 -3.776 25.265 -13.164 1.00 0.00 C ATOM 28 NZ LYS A 2 -3.501 26.316 -14.183 1.00 0.00 N ATOM 0 H LYS A 2 -0.004 20.743 -12.469 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.348 21.158 -10.960 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.202 22.229 -13.207 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.491 21.286 -13.930 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.117 22.680 -13.171 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.367 22.871 -11.598 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.903 24.585 -12.367 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.156 24.172 -14.051 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.709 24.757 -13.409 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.913 25.732 -12.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.291 26.991 -14.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.624 26.818 -13.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.395 25.874 -15.118 1.00 0.00 H new ATOM 42 N LYS A 3 -4.157 19.581 -11.779 1.00 0.00 N ATOM 43 CA LYS A 3 -5.100 18.492 -12.008 1.00 0.00 C ATOM 44 C LYS A 3 -4.591 17.188 -11.397 1.00 0.00 C ATOM 45 O LYS A 3 -4.988 16.100 -11.814 1.00 0.00 O ATOM 46 CB LYS A 3 -5.341 18.306 -13.507 1.00 0.00 C ATOM 47 CG LYS A 3 -6.799 18.054 -13.863 1.00 0.00 C ATOM 48 CD LYS A 3 -6.946 16.886 -14.826 1.00 0.00 C ATOM 49 CE LYS A 3 -7.971 17.183 -15.910 1.00 0.00 C ATOM 50 NZ LYS A 3 -7.784 16.312 -17.103 1.00 0.00 N ATOM 0 H LYS A 3 -4.544 20.373 -11.265 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.041 18.754 -11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.995 19.195 -14.035 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.739 17.470 -13.862 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.366 17.851 -12.955 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.225 18.952 -14.311 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.982 16.668 -15.285 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.245 15.994 -14.275 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.975 17.040 -15.510 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.892 18.229 -16.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.501 16.545 -17.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.835 16.467 -17.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.884 15.315 -16.824 1.00 0.00 H new ATOM 64 N LEU A 4 -3.712 17.304 -10.405 1.00 0.00 N ATOM 65 CA LEU A 4 -3.148 16.135 -9.737 1.00 0.00 C ATOM 66 C LEU A 4 -2.130 16.556 -8.678 1.00 0.00 C ATOM 67 O LEU A 4 -1.049 15.974 -8.578 1.00 0.00 O ATOM 68 CB LEU A 4 -2.486 15.201 -10.756 1.00 0.00 C ATOM 69 CG LEU A 4 -2.742 13.711 -10.530 1.00 0.00 C ATOM 70 CD1 LEU A 4 -4.202 13.374 -10.790 1.00 0.00 C ATOM 71 CD2 LEU A 4 -1.834 12.874 -11.418 1.00 0.00 C ATOM 0 H LEU A 4 -3.375 18.197 -10.046 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.962 15.601 -9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.838 15.467 -11.753 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.410 15.376 -10.741 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.517 13.477 -9.490 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.365 12.309 -10.624 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.834 13.948 -10.112 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.455 13.623 -11.820 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.030 11.816 -11.244 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.028 13.112 -12.464 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.792 13.094 -11.183 1.00 0.00 H new ATOM 83 N LYS A 5 -2.482 17.568 -7.893 1.00 0.00 N ATOM 84 CA LYS A 5 -1.597 18.065 -6.846 1.00 0.00 C ATOM 85 C LYS A 5 -1.253 16.959 -5.851 1.00 0.00 C ATOM 86 O LYS A 5 -0.133 16.447 -5.844 1.00 0.00 O ATOM 87 CB LYS A 5 -2.240 19.249 -6.120 1.00 0.00 C ATOM 88 CG LYS A 5 -1.230 20.206 -5.505 1.00 0.00 C ATOM 89 CD LYS A 5 -0.660 21.160 -6.545 1.00 0.00 C ATOM 90 CE LYS A 5 0.778 20.808 -6.896 1.00 0.00 C ATOM 91 NZ LYS A 5 1.622 22.023 -7.066 1.00 0.00 N ATOM 0 H LYS A 5 -3.373 18.060 -7.962 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.673 18.401 -7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.868 19.798 -6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.895 18.871 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.707 20.777 -4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.420 19.637 -5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.274 21.127 -7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.704 22.181 -6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.200 20.180 -6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.794 20.223 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.530 21.757 -7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.131 22.703 -7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.795 22.458 -6.137 1.00 0.00 H new ATOM 105 N LYS A 6 -2.220 16.595 -5.011 1.00 0.00 N ATOM 106 CA LYS A 6 -2.016 15.547 -4.013 1.00 0.00 C ATOM 107 C LYS A 6 -0.705 15.749 -3.255 1.00 0.00 C ATOM 108 O LYS A 6 -0.098 14.789 -2.783 1.00 0.00 O ATOM 109 CB LYS A 6 -2.024 14.170 -4.685 1.00 0.00 C ATOM 110 CG LYS A 6 -2.962 13.174 -4.023 1.00 0.00 C ATOM 111 CD LYS A 6 -3.156 11.937 -4.885 1.00 0.00 C ATOM 112 CE LYS A 6 -4.299 12.117 -5.872 1.00 0.00 C ATOM 113 NZ LYS A 6 -3.960 11.585 -7.220 1.00 0.00 N ATOM 0 H LYS A 6 -3.152 17.010 -5.002 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.835 15.604 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.311 14.287 -5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.012 13.765 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.560 12.883 -3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.927 13.647 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.236 11.723 -5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.357 11.076 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.187 11.610 -5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.546 13.176 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.766 11.727 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.128 12.086 -7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.749 10.569 -7.149 1.00 0.00 H new ATOM 127 N HIS A 7 -0.270 17.002 -3.151 1.00 0.00 N ATOM 128 CA HIS A 7 0.975 17.324 -2.460 1.00 0.00 C ATOM 129 C HIS A 7 0.717 17.825 -1.038 1.00 0.00 C ATOM 130 O HIS A 7 1.239 17.265 -0.074 1.00 0.00 O ATOM 131 CB HIS A 7 1.764 18.371 -3.249 1.00 0.00 C ATOM 132 CG HIS A 7 3.180 17.969 -3.526 1.00 0.00 C ATOM 133 ND1 HIS A 7 4.268 18.695 -3.089 1.00 0.00 N ATOM 134 CD2 HIS A 7 3.683 16.906 -4.199 1.00 0.00 C ATOM 135 CE1 HIS A 7 5.379 18.097 -3.482 1.00 0.00 C ATOM 136 NE2 HIS A 7 5.052 17.011 -4.156 1.00 0.00 N ATOM 0 H HIS A 7 -0.760 17.810 -3.536 1.00 0.00 H new ATOM 0 HA HIS A 7 1.561 16.407 -2.391 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.257 18.560 -4.195 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.763 19.309 -2.694 1.00 0.00 H new ATOM 0 HD1 HIS A 7 4.222 19.558 -2.547 1.00 0.00 H new ATOM 0 HD2 HIS A 7 3.114 16.123 -4.679 1.00 0.00 H new ATOM 0 HE1 HIS A 7 6.384 18.439 -3.285 1.00 0.00 H new ATOM 145 N PRO A 8 -0.087 18.895 -0.882 1.00 0.00 N ATOM 146 CA PRO A 8 -0.392 19.462 0.429 1.00 0.00 C ATOM 147 C PRO A 8 -1.535 18.740 1.131 1.00 0.00 C ATOM 148 O PRO A 8 -1.446 18.422 2.317 1.00 0.00 O ATOM 149 CB PRO A 8 -0.786 20.896 0.091 1.00 0.00 C ATOM 150 CG PRO A 8 -1.400 20.811 -1.267 1.00 0.00 C ATOM 151 CD PRO A 8 -0.755 19.640 -1.969 1.00 0.00 C ATOM 0 HA PRO A 8 0.447 19.380 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.491 21.295 0.820 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.082 21.556 0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.479 20.671 -1.195 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.235 21.733 -1.824 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.495 19.024 -2.479 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.041 19.971 -2.723 1.00 0.00 H new ATOM 159 N ASP A 9 -2.611 18.484 0.394 1.00 0.00 N ATOM 160 CA ASP A 9 -3.773 17.801 0.952 1.00 0.00 C ATOM 161 C ASP A 9 -4.055 16.505 0.202 1.00 0.00 C ATOM 162 O ASP A 9 -3.549 16.290 -0.900 1.00 0.00 O ATOM 163 CB ASP A 9 -5.000 18.714 0.902 1.00 0.00 C ATOM 164 CG ASP A 9 -5.766 18.727 2.210 1.00 0.00 C ATOM 165 OD1 ASP A 9 -5.611 17.771 2.997 1.00 0.00 O ATOM 166 OD2 ASP A 9 -6.518 19.696 2.448 1.00 0.00 O ATOM 0 H ASP A 9 -2.703 18.739 -0.589 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.555 17.556 1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -4.684 19.729 0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.661 18.385 0.100 1.00 0.00 H new ATOM 171 N PHE A 10 -4.867 15.642 0.805 1.00 0.00 N ATOM 172 CA PHE A 10 -5.216 14.366 0.194 1.00 0.00 C ATOM 173 C PHE A 10 -3.970 13.508 -0.029 1.00 0.00 C ATOM 174 O PHE A 10 -3.676 13.104 -1.154 1.00 0.00 O ATOM 175 CB PHE A 10 -5.946 14.595 -1.131 1.00 0.00 C ATOM 176 CG PHE A 10 -7.119 13.679 -1.337 1.00 0.00 C ATOM 177 CD1 PHE A 10 -8.313 13.902 -0.670 1.00 0.00 C ATOM 178 CD2 PHE A 10 -7.027 12.596 -2.197 1.00 0.00 C ATOM 179 CE1 PHE A 10 -9.394 13.060 -0.858 1.00 0.00 C ATOM 180 CE2 PHE A 10 -8.104 11.752 -2.388 1.00 0.00 C ATOM 181 CZ PHE A 10 -9.289 11.985 -1.718 1.00 0.00 C ATOM 0 H PHE A 10 -5.295 15.804 1.716 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.879 13.833 0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.291 15.628 -1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.242 14.461 -1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.400 14.742 0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.103 12.410 -2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.320 13.243 -0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -8.019 10.911 -3.060 1.00 0.00 H new ATOM 0 HZ PHE A 10 -10.133 11.327 -1.867 1.00 0.00 H new ATOM 191 N PRO A 11 -3.219 13.220 1.047 1.00 0.00 N ATOM 192 CA PRO A 11 -2.002 12.406 0.969 1.00 0.00 C ATOM 193 C PRO A 11 -2.308 10.936 0.705 1.00 0.00 C ATOM 194 O PRO A 11 -2.680 10.196 1.615 1.00 0.00 O ATOM 195 CB PRO A 11 -1.372 12.578 2.350 1.00 0.00 C ATOM 196 CG PRO A 11 -2.522 12.868 3.251 1.00 0.00 C ATOM 197 CD PRO A 11 -3.500 13.659 2.429 1.00 0.00 C ATOM 0 HA PRO A 11 -1.355 12.716 0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.843 11.677 2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.647 13.392 2.357 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.974 11.946 3.616 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.200 13.433 4.126 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.530 13.447 2.716 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.350 14.732 2.548 1.00 0.00 H new ATOM 205 N LYS A 12 -2.153 10.518 -0.547 1.00 0.00 N ATOM 206 CA LYS A 12 -2.415 9.135 -0.926 1.00 0.00 C ATOM 207 C LYS A 12 -1.308 8.211 -0.430 1.00 0.00 C ATOM 208 O LYS A 12 -0.228 8.665 -0.051 1.00 0.00 O ATOM 209 CB LYS A 12 -2.557 9.020 -2.447 1.00 0.00 C ATOM 210 CG LYS A 12 -3.920 8.514 -2.893 1.00 0.00 C ATOM 211 CD LYS A 12 -3.872 7.044 -3.277 1.00 0.00 C ATOM 212 CE LYS A 12 -3.383 6.855 -4.705 1.00 0.00 C ATOM 213 NZ LYS A 12 -2.209 5.940 -4.773 1.00 0.00 N ATOM 0 H LYS A 12 -1.848 11.116 -1.315 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.350 8.827 -0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.376 9.997 -2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.787 8.348 -2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.643 8.658 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.267 9.102 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.213 6.510 -2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.865 6.607 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.192 6.454 -5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.114 7.823 -5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.906 5.837 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.428 6.335 -4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.472 5.008 -4.393 1.00 0.00 H new ATOM 227 N LYS A 13 -1.586 6.911 -0.436 1.00 0.00 N ATOM 228 CA LYS A 13 -0.618 5.917 0.009 1.00 0.00 C ATOM 229 C LYS A 13 -0.919 4.556 -0.621 1.00 0.00 C ATOM 230 O LYS A 13 -1.971 3.971 -0.369 1.00 0.00 O ATOM 231 CB LYS A 13 -0.642 5.804 1.537 1.00 0.00 C ATOM 232 CG LYS A 13 0.649 6.252 2.201 1.00 0.00 C ATOM 233 CD LYS A 13 0.585 6.089 3.710 1.00 0.00 C ATOM 234 CE LYS A 13 0.000 7.322 4.379 1.00 0.00 C ATOM 235 NZ LYS A 13 -1.458 7.176 4.640 1.00 0.00 N ATOM 0 H LYS A 13 -2.477 6.522 -0.745 1.00 0.00 H new ATOM 0 HA LYS A 13 0.375 6.236 -0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.467 6.403 1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.842 4.769 1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.483 5.671 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.843 7.296 1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.021 5.217 3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.586 5.903 4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.520 7.505 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.170 8.193 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.742 7.829 5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.990 7.398 3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.662 6.199 4.931 1.00 0.00 H new ATOM 249 N PRO A 14 -0.001 4.036 -1.458 1.00 0.00 N ATOM 250 CA PRO A 14 -0.184 2.744 -2.124 1.00 0.00 C ATOM 251 C PRO A 14 -0.722 1.666 -1.189 1.00 0.00 C ATOM 252 O PRO A 14 -0.775 1.848 0.028 1.00 0.00 O ATOM 253 CB PRO A 14 1.226 2.392 -2.591 1.00 0.00 C ATOM 254 CG PRO A 14 1.871 3.706 -2.837 1.00 0.00 C ATOM 255 CD PRO A 14 1.283 4.663 -1.829 1.00 0.00 C ATOM 0 HA PRO A 14 -0.918 2.803 -2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.764 1.820 -1.835 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.205 1.784 -3.495 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.953 3.636 -2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.681 4.048 -3.854 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.935 4.783 -0.964 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.135 5.655 -2.257 1.00 0.00 H new ATOM 263 N LEU A 15 -1.109 0.538 -1.771 1.00 0.00 N ATOM 264 CA LEU A 15 -1.636 -0.585 -1.002 1.00 0.00 C ATOM 265 C LEU A 15 -0.487 -1.426 -0.447 1.00 0.00 C ATOM 266 O LEU A 15 0.550 -0.887 -0.059 1.00 0.00 O ATOM 267 CB LEU A 15 -2.565 -1.444 -1.874 1.00 0.00 C ATOM 268 CG LEU A 15 -3.346 -0.689 -2.954 1.00 0.00 C ATOM 269 CD1 LEU A 15 -2.915 -1.143 -4.341 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.843 -0.891 -2.770 1.00 0.00 C ATOM 0 H LEU A 15 -1.068 0.375 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.217 -0.196 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.968 -2.217 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.278 -1.951 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.127 0.374 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.481 -0.596 -5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.851 -0.948 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.104 -2.211 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.382 -0.347 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.078 -1.953 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.143 -0.518 -1.791 1.00 0.00 H new ATOM 282 N THR A 16 -0.666 -2.739 -0.411 1.00 0.00 N ATOM 283 CA THR A 16 0.366 -3.634 0.093 1.00 0.00 C ATOM 284 C THR A 16 0.580 -4.812 -0.860 1.00 0.00 C ATOM 285 O THR A 16 -0.343 -5.232 -1.554 1.00 0.00 O ATOM 286 CB THR A 16 -0.010 -4.133 1.492 1.00 0.00 C ATOM 287 OG1 THR A 16 1.100 -4.723 2.141 1.00 0.00 O ATOM 288 CG2 THR A 16 -1.125 -5.151 1.481 1.00 0.00 C ATOM 0 H THR A 16 -1.516 -3.208 -0.725 1.00 0.00 H new ATOM 0 HA THR A 16 1.303 -3.081 0.157 1.00 0.00 H new ATOM 0 HB THR A 16 -0.348 -3.246 2.027 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.832 -5.031 3.032 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.343 -5.463 2.502 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.018 -4.708 1.039 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.821 -6.017 0.894 1.00 0.00 H new ATOM 296 N PRO A 17 1.809 -5.359 -0.902 1.00 0.00 N ATOM 297 CA PRO A 17 2.159 -6.494 -1.763 1.00 0.00 C ATOM 298 C PRO A 17 1.081 -7.569 -1.772 1.00 0.00 C ATOM 299 O PRO A 17 0.630 -8.003 -2.832 1.00 0.00 O ATOM 300 CB PRO A 17 3.456 -7.036 -1.136 1.00 0.00 C ATOM 301 CG PRO A 17 3.670 -6.229 0.109 1.00 0.00 C ATOM 302 CD PRO A 17 2.961 -4.931 -0.114 1.00 0.00 C ATOM 0 HA PRO A 17 2.269 -6.194 -2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.366 -8.097 -0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.297 -6.930 -1.821 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.272 -6.746 0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.732 -6.067 0.291 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.664 -4.460 0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.581 -4.212 -0.650 1.00 0.00 H new ATOM 310 N TYR A 18 0.665 -7.990 -0.581 1.00 0.00 N ATOM 311 CA TYR A 18 -0.368 -9.010 -0.455 1.00 0.00 C ATOM 312 C TYR A 18 -1.659 -8.553 -1.139 1.00 0.00 C ATOM 313 O TYR A 18 -2.459 -9.371 -1.592 1.00 0.00 O ATOM 314 CB TYR A 18 -0.636 -9.312 1.024 1.00 0.00 C ATOM 315 CG TYR A 18 -1.828 -10.217 1.260 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.068 -11.313 0.441 1.00 0.00 C ATOM 317 CD2 TYR A 18 -2.711 -9.973 2.304 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.155 -12.138 0.655 1.00 0.00 C ATOM 319 CE2 TYR A 18 -3.800 -10.794 2.525 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.019 -11.875 1.697 1.00 0.00 C ATOM 321 OH TYR A 18 -5.103 -12.693 1.912 1.00 0.00 O ATOM 0 H TYR A 18 1.027 -7.641 0.307 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.017 -9.919 -0.944 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.251 -9.775 1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.795 -8.373 1.553 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.394 -11.523 -0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.543 -9.127 2.954 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.328 -12.986 0.009 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.476 -10.590 3.342 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.402 -13.071 1.059 1.00 0.00 H new ATOM 331 N PHE A 19 -1.851 -7.236 -1.208 1.00 0.00 N ATOM 332 CA PHE A 19 -3.036 -6.659 -1.832 1.00 0.00 C ATOM 333 C PHE A 19 -2.938 -6.735 -3.350 1.00 0.00 C ATOM 334 O PHE A 19 -3.827 -7.271 -4.010 1.00 0.00 O ATOM 335 CB PHE A 19 -3.215 -5.203 -1.393 1.00 0.00 C ATOM 336 CG PHE A 19 -4.485 -4.961 -0.628 1.00 0.00 C ATOM 337 CD1 PHE A 19 -4.664 -5.505 0.634 1.00 0.00 C ATOM 338 CD2 PHE A 19 -5.499 -4.188 -1.170 1.00 0.00 C ATOM 339 CE1 PHE A 19 -5.831 -5.283 1.341 1.00 0.00 C ATOM 340 CE2 PHE A 19 -6.668 -3.963 -0.470 1.00 0.00 C ATOM 341 CZ PHE A 19 -6.835 -4.511 0.788 1.00 0.00 C ATOM 0 H PHE A 19 -1.196 -6.548 -0.837 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.903 -7.236 -1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.366 -4.911 -0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.203 -4.562 -2.274 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.883 -6.110 1.070 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.374 -3.756 -2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.958 -5.712 2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.451 -3.360 -0.905 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.748 -4.336 1.338 1.00 0.00 H new ATOM 351 N ARG A 20 -1.849 -6.205 -3.903 1.00 0.00 N ATOM 352 CA ARG A 20 -1.647 -6.230 -5.350 1.00 0.00 C ATOM 353 C ARG A 20 -1.706 -7.661 -5.884 1.00 0.00 C ATOM 354 O ARG A 20 -1.854 -7.878 -7.083 1.00 0.00 O ATOM 355 CB ARG A 20 -0.305 -5.596 -5.716 1.00 0.00 C ATOM 356 CG ARG A 20 0.892 -6.345 -5.155 1.00 0.00 C ATOM 357 CD ARG A 20 2.142 -6.092 -5.979 1.00 0.00 C ATOM 358 NE ARG A 20 2.010 -6.604 -7.339 1.00 0.00 N ATOM 359 CZ ARG A 20 2.943 -6.464 -8.278 1.00 0.00 C ATOM 360 NH1 ARG A 20 4.075 -5.828 -8.010 1.00 0.00 N ATOM 361 NH2 ARG A 20 2.742 -6.963 -9.492 1.00 0.00 N ATOM 0 H ARG A 20 -1.099 -5.757 -3.377 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.449 -5.653 -5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.218 -5.549 -6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.285 -4.569 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.066 -6.036 -4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.678 -7.414 -5.136 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.344 -5.021 -6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.997 -6.563 -5.495 1.00 0.00 H new ATOM 0 HE ARG A 20 1.152 -7.098 -7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.235 -5.442 -7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.786 -5.724 -8.734 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.873 -7.453 -9.704 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.456 -6.856 -10.212 1.00 0.00 H new ATOM 375 N PHE A 21 -1.585 -8.632 -4.985 1.00 0.00 N ATOM 376 CA PHE A 21 -1.625 -10.041 -5.350 1.00 0.00 C ATOM 377 C PHE A 21 -3.067 -10.522 -5.448 1.00 0.00 C ATOM 378 O PHE A 21 -3.450 -11.226 -6.387 1.00 0.00 O ATOM 379 CB PHE A 21 -0.877 -10.850 -4.287 1.00 0.00 C ATOM 380 CG PHE A 21 -0.532 -12.252 -4.696 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.524 -13.168 -5.005 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.790 -12.656 -4.756 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.201 -14.460 -5.370 1.00 0.00 C ATOM 384 CE2 PHE A 21 1.121 -13.945 -5.117 1.00 0.00 C ATOM 385 CZ PHE A 21 0.124 -14.851 -5.426 1.00 0.00 C ATOM 0 H PHE A 21 -1.457 -8.464 -3.987 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.150 -10.177 -6.322 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.042 -10.324 -4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.486 -10.889 -3.384 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.561 -12.869 -4.960 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.573 -11.952 -4.517 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.983 -15.165 -5.612 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.157 -14.246 -5.158 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.379 -15.861 -5.710 1.00 0.00 H new ATOM 395 N PHE A 22 -3.864 -10.128 -4.464 1.00 0.00 N ATOM 396 CA PHE A 22 -5.264 -10.505 -4.405 1.00 0.00 C ATOM 397 C PHE A 22 -6.091 -9.602 -5.310 1.00 0.00 C ATOM 398 O PHE A 22 -6.948 -10.065 -6.063 1.00 0.00 O ATOM 399 CB PHE A 22 -5.735 -10.420 -2.944 1.00 0.00 C ATOM 400 CG PHE A 22 -7.223 -10.315 -2.746 1.00 0.00 C ATOM 401 CD1 PHE A 22 -7.892 -9.131 -3.012 1.00 0.00 C ATOM 402 CD2 PHE A 22 -7.945 -11.396 -2.267 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.256 -9.031 -2.810 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.307 -11.300 -2.060 1.00 0.00 C ATOM 405 CZ PHE A 22 -9.964 -10.117 -2.332 1.00 0.00 C ATOM 0 H PHE A 22 -3.557 -9.541 -3.689 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.394 -11.527 -4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.377 -11.303 -2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.263 -9.555 -2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.342 -8.278 -3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.437 -12.325 -2.053 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -9.768 -8.105 -3.026 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.858 -12.150 -1.685 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.029 -10.040 -2.172 1.00 0.00 H new ATOM 415 N MET A 23 -5.820 -8.312 -5.227 1.00 0.00 N ATOM 416 CA MET A 23 -6.522 -7.316 -6.018 1.00 0.00 C ATOM 417 C MET A 23 -6.257 -7.479 -7.517 1.00 0.00 C ATOM 418 O MET A 23 -7.044 -7.015 -8.343 1.00 0.00 O ATOM 419 CB MET A 23 -6.103 -5.921 -5.535 1.00 0.00 C ATOM 420 CG MET A 23 -5.168 -5.181 -6.479 1.00 0.00 C ATOM 421 SD MET A 23 -4.738 -3.535 -5.881 1.00 0.00 S ATOM 422 CE MET A 23 -6.241 -2.635 -6.254 1.00 0.00 C ATOM 0 H MET A 23 -5.107 -7.925 -4.609 1.00 0.00 H new ATOM 0 HA MET A 23 -7.595 -7.451 -5.880 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.999 -5.318 -5.385 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.617 -6.017 -4.564 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.257 -5.764 -6.613 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.639 -5.096 -7.458 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.989 -1.686 -6.727 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.860 -3.224 -6.931 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.790 -2.446 -5.332 1.00 0.00 H new ATOM 432 N GLU A 24 -5.142 -8.116 -7.867 1.00 0.00 N ATOM 433 CA GLU A 24 -4.789 -8.300 -9.272 1.00 0.00 C ATOM 434 C GLU A 24 -5.376 -9.582 -9.859 1.00 0.00 C ATOM 435 O GLU A 24 -5.833 -9.588 -11.002 1.00 0.00 O ATOM 436 CB GLU A 24 -3.267 -8.295 -9.447 1.00 0.00 C ATOM 437 CG GLU A 24 -2.588 -9.588 -9.020 1.00 0.00 C ATOM 438 CD GLU A 24 -2.567 -10.630 -10.121 1.00 0.00 C ATOM 439 OE1 GLU A 24 -3.122 -10.359 -11.208 1.00 0.00 O ATOM 440 OE2 GLU A 24 -1.997 -11.718 -9.898 1.00 0.00 O ATOM 0 H GLU A 24 -4.474 -8.510 -7.205 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.222 -7.462 -9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.033 -8.103 -10.494 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.849 -7.470 -8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.565 -9.371 -8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.104 -9.995 -8.151 1.00 0.00 H new ATOM 447 N LYS A 25 -5.353 -10.673 -9.095 1.00 0.00 N ATOM 448 CA LYS A 25 -5.879 -11.940 -9.595 1.00 0.00 C ATOM 449 C LYS A 25 -7.289 -12.228 -9.079 1.00 0.00 C ATOM 450 O LYS A 25 -7.888 -13.242 -9.438 1.00 0.00 O ATOM 451 CB LYS A 25 -4.929 -13.090 -9.250 1.00 0.00 C ATOM 452 CG LYS A 25 -5.018 -13.560 -7.811 1.00 0.00 C ATOM 453 CD LYS A 25 -3.655 -13.966 -7.276 1.00 0.00 C ATOM 454 CE LYS A 25 -3.117 -15.192 -7.994 1.00 0.00 C ATOM 455 NZ LYS A 25 -4.026 -16.362 -7.857 1.00 0.00 N ATOM 0 H LYS A 25 -4.983 -10.706 -8.145 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.949 -11.854 -10.679 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.141 -13.932 -9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.906 -12.775 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.432 -12.764 -7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.703 -14.405 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.956 -13.138 -7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.729 -14.172 -6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.979 -14.962 -9.050 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.136 -15.446 -7.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.511 -17.232 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.368 -16.423 -6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.836 -16.249 -8.499 1.00 0.00 H new ATOM 469 N ARG A 26 -7.833 -11.333 -8.256 1.00 0.00 N ATOM 470 CA ARG A 26 -9.179 -11.504 -7.730 1.00 0.00 C ATOM 471 C ARG A 26 -10.142 -11.780 -8.868 1.00 0.00 C ATOM 472 O ARG A 26 -11.066 -12.586 -8.744 1.00 0.00 O ATOM 473 CB ARG A 26 -9.615 -10.249 -6.971 1.00 0.00 C ATOM 474 CG ARG A 26 -9.648 -10.432 -5.465 1.00 0.00 C ATOM 475 CD ARG A 26 -10.327 -11.733 -5.075 1.00 0.00 C ATOM 476 NE ARG A 26 -11.442 -12.058 -5.963 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.678 -11.591 -5.807 1.00 0.00 C ATOM 478 NH1 ARG A 26 -12.966 -10.773 -4.802 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.631 -11.939 -6.660 1.00 0.00 N ATOM 0 H ARG A 26 -7.361 -10.485 -7.942 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.184 -12.349 -7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.935 -9.432 -7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.606 -9.952 -7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.631 -10.420 -5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.175 -9.595 -5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.598 -12.543 -5.097 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.690 -11.659 -4.050 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.261 -12.681 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.237 -10.498 -4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.916 -10.419 -4.689 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.417 -12.565 -7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.578 -11.581 -6.540 1.00 0.00 H new ATOM 493 N ALA A 27 -9.895 -11.119 -9.989 1.00 0.00 N ATOM 494 CA ALA A 27 -10.711 -11.297 -11.179 1.00 0.00 C ATOM 495 C ALA A 27 -10.800 -12.772 -11.524 1.00 0.00 C ATOM 496 O ALA A 27 -11.823 -13.258 -12.006 1.00 0.00 O ATOM 497 CB ALA A 27 -10.102 -10.534 -12.342 1.00 0.00 C ATOM 0 H ALA A 27 -9.132 -10.451 -10.099 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.712 -10.912 -10.985 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.718 -10.672 -13.230 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.053 -9.473 -12.095 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.097 -10.908 -12.536 1.00 0.00 H new ATOM 503 N LYS A 28 -9.705 -13.474 -11.263 1.00 0.00 N ATOM 504 CA LYS A 28 -9.626 -14.903 -11.535 1.00 0.00 C ATOM 505 C LYS A 28 -10.598 -15.690 -10.655 1.00 0.00 C ATOM 506 O LYS A 28 -10.961 -16.822 -10.976 1.00 0.00 O ATOM 507 CB LYS A 28 -8.198 -15.406 -11.320 1.00 0.00 C ATOM 508 CG LYS A 28 -7.658 -16.222 -12.484 1.00 0.00 C ATOM 509 CD LYS A 28 -7.766 -15.463 -13.798 1.00 0.00 C ATOM 510 CE LYS A 28 -8.911 -15.986 -14.653 1.00 0.00 C ATOM 511 NZ LYS A 28 -8.429 -16.893 -15.731 1.00 0.00 N ATOM 0 H LYS A 28 -8.856 -13.075 -10.862 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.907 -15.061 -12.576 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.542 -14.552 -11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.168 -16.014 -10.416 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.615 -16.479 -12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.209 -17.160 -12.558 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.917 -14.403 -13.595 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.830 -15.552 -14.349 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.622 -16.518 -14.021 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.446 -15.146 -15.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.239 -17.228 -16.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.770 -16.378 -16.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.941 -17.708 -15.307 1.00 0.00 H new ATOM 525 N TYR A 29 -11.020 -15.086 -9.547 1.00 0.00 N ATOM 526 CA TYR A 29 -11.950 -15.734 -8.628 1.00 0.00 C ATOM 527 C TYR A 29 -13.366 -15.221 -8.836 1.00 0.00 C ATOM 528 O TYR A 29 -14.337 -15.947 -8.624 1.00 0.00 O ATOM 529 CB TYR A 29 -11.523 -15.511 -7.182 1.00 0.00 C ATOM 530 CG TYR A 29 -10.202 -16.151 -6.836 1.00 0.00 C ATOM 531 CD1 TYR A 29 -10.138 -17.469 -6.400 1.00 0.00 C ATOM 532 CD2 TYR A 29 -9.019 -15.437 -6.945 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.928 -18.056 -6.084 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.807 -16.016 -6.631 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.764 -17.326 -6.201 1.00 0.00 C ATOM 536 OH TYR A 29 -6.556 -17.906 -5.888 1.00 0.00 O ATOM 0 H TYR A 29 -10.732 -14.149 -9.264 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.934 -16.803 -8.838 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.459 -14.440 -6.992 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.293 -15.906 -6.520 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.048 -18.043 -6.307 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.047 -14.411 -7.281 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.894 -19.082 -5.747 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.895 -15.445 -6.722 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.922 -17.756 -6.620 1.00 0.00 H new ATOM 546 N ALA A 30 -13.481 -13.969 -9.269 1.00 0.00 N ATOM 547 CA ALA A 30 -14.785 -13.376 -9.524 1.00 0.00 C ATOM 548 C ALA A 30 -15.445 -14.089 -10.693 1.00 0.00 C ATOM 549 O ALA A 30 -16.657 -14.011 -10.891 1.00 0.00 O ATOM 550 CB ALA A 30 -14.650 -11.888 -9.808 1.00 0.00 C ATOM 0 H ALA A 30 -12.690 -13.350 -9.449 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.410 -13.491 -8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.636 -11.463 -9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.199 -11.393 -8.948 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.018 -11.741 -10.684 1.00 0.00 H new ATOM 556 N LYS A 31 -14.619 -14.791 -11.459 1.00 0.00 N ATOM 557 CA LYS A 31 -15.077 -15.539 -12.614 1.00 0.00 C ATOM 558 C LYS A 31 -15.229 -17.017 -12.265 1.00 0.00 C ATOM 559 O LYS A 31 -16.037 -17.730 -12.860 1.00 0.00 O ATOM 560 CB LYS A 31 -14.077 -15.363 -13.754 1.00 0.00 C ATOM 561 CG LYS A 31 -14.696 -14.797 -15.019 1.00 0.00 C ATOM 562 CD LYS A 31 -14.592 -13.282 -15.061 1.00 0.00 C ATOM 563 CE LYS A 31 -14.973 -12.733 -16.428 1.00 0.00 C ATOM 564 NZ LYS A 31 -15.471 -11.333 -16.346 1.00 0.00 N ATOM 0 H LYS A 31 -13.615 -14.855 -11.294 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.051 -15.162 -12.925 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.275 -14.703 -13.425 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.623 -16.328 -13.981 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.197 -15.221 -15.890 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.744 -15.092 -15.076 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.243 -12.851 -14.301 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.573 -12.980 -14.818 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.107 -12.772 -17.089 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.741 -13.366 -16.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.720 -10.997 -17.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.313 -11.299 -15.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.729 -10.723 -15.946 1.00 0.00 H new ATOM 578 N LEU A 32 -14.437 -17.468 -11.296 1.00 0.00 N ATOM 579 CA LEU A 32 -14.467 -18.859 -10.857 1.00 0.00 C ATOM 580 C LEU A 32 -15.374 -19.049 -9.639 1.00 0.00 C ATOM 581 O LEU A 32 -15.542 -20.168 -9.155 1.00 0.00 O ATOM 582 CB LEU A 32 -13.052 -19.331 -10.525 1.00 0.00 C ATOM 583 CG LEU A 32 -12.927 -20.818 -10.177 1.00 0.00 C ATOM 584 CD1 LEU A 32 -12.047 -21.535 -11.192 1.00 0.00 C ATOM 585 CD2 LEU A 32 -12.372 -20.994 -8.773 1.00 0.00 C ATOM 0 H LEU A 32 -13.763 -16.886 -10.798 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.873 -19.456 -11.674 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.406 -19.118 -11.376 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.678 -18.745 -9.686 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.922 -21.261 -10.212 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.971 -22.590 -10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.486 -21.441 -12.185 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.053 -21.088 -11.191 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.291 -22.057 -8.544 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.386 -20.533 -8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.041 -20.519 -8.055 1.00 0.00 H new ATOM 597 N HIS A 33 -15.959 -17.957 -9.147 1.00 0.00 N ATOM 598 CA HIS A 33 -16.847 -18.024 -7.987 1.00 0.00 C ATOM 599 C HIS A 33 -18.178 -17.327 -8.273 1.00 0.00 C ATOM 600 O HIS A 33 -18.490 -16.297 -7.673 1.00 0.00 O ATOM 601 CB HIS A 33 -16.174 -17.392 -6.762 1.00 0.00 C ATOM 602 CG HIS A 33 -14.979 -18.154 -6.279 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.868 -18.645 -4.995 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.838 -18.512 -6.916 1.00 0.00 C ATOM 605 CE1 HIS A 33 -13.712 -19.270 -4.863 1.00 0.00 C ATOM 606 NE2 HIS A 33 -13.069 -19.204 -6.014 1.00 0.00 N ATOM 0 H HIS A 33 -15.835 -17.020 -9.531 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.049 -19.075 -7.778 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.871 -16.374 -7.008 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.901 -17.321 -5.953 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -15.569 -18.542 -4.262 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -13.581 -18.294 -7.942 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.354 -19.753 -3.966 1.00 0.00 H new ATOM 615 N PRO A 34 -18.988 -17.880 -9.196 1.00 0.00 N ATOM 616 CA PRO A 34 -20.285 -17.312 -9.560 1.00 0.00 C ATOM 617 C PRO A 34 -21.374 -17.658 -8.548 1.00 0.00 C ATOM 618 O PRO A 34 -22.206 -16.819 -8.205 1.00 0.00 O ATOM 619 CB PRO A 34 -20.602 -17.953 -10.923 1.00 0.00 C ATOM 620 CG PRO A 34 -19.436 -18.833 -11.254 1.00 0.00 C ATOM 621 CD PRO A 34 -18.712 -19.096 -9.964 1.00 0.00 C ATOM 0 HA PRO A 34 -20.251 -16.223 -9.588 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -21.525 -18.531 -10.876 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.743 -17.190 -11.688 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.772 -19.766 -11.706 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -18.778 -18.348 -11.975 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -19.087 -19.988 -9.462 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -17.644 -19.244 -10.121 1.00 0.00 H new ATOM 629 N GLU A 35 -21.362 -18.901 -8.074 1.00 0.00 N ATOM 630 CA GLU A 35 -22.349 -19.356 -7.103 1.00 0.00 C ATOM 631 C GLU A 35 -21.748 -19.422 -5.703 1.00 0.00 C ATOM 632 O GLU A 35 -22.285 -20.082 -4.813 1.00 0.00 O ATOM 633 CB GLU A 35 -22.897 -20.728 -7.502 1.00 0.00 C ATOM 634 CG GLU A 35 -21.813 -21.757 -7.779 1.00 0.00 C ATOM 635 CD GLU A 35 -22.266 -23.173 -7.480 1.00 0.00 C ATOM 636 OE1 GLU A 35 -23.132 -23.346 -6.597 1.00 0.00 O ATOM 637 OE2 GLU A 35 -21.754 -24.109 -8.130 1.00 0.00 O ATOM 0 H GLU A 35 -20.680 -19.609 -8.347 1.00 0.00 H new ATOM 0 HA GLU A 35 -23.167 -18.636 -7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -23.543 -21.098 -6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -23.518 -20.618 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.510 -21.689 -8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.934 -21.525 -7.177 1.00 0.00 H new ATOM 644 N MET A 36 -20.635 -18.727 -5.516 1.00 0.00 N ATOM 645 CA MET A 36 -19.959 -18.693 -4.227 1.00 0.00 C ATOM 646 C MET A 36 -19.845 -17.258 -3.723 1.00 0.00 C ATOM 647 O MET A 36 -20.510 -16.358 -4.236 1.00 0.00 O ATOM 648 CB MET A 36 -18.565 -19.318 -4.337 1.00 0.00 C ATOM 649 CG MET A 36 -18.533 -20.597 -5.159 1.00 0.00 C ATOM 650 SD MET A 36 -17.569 -21.905 -4.377 1.00 0.00 S ATOM 651 CE MET A 36 -15.908 -21.432 -4.855 1.00 0.00 C ATOM 0 H MET A 36 -20.179 -18.177 -6.244 1.00 0.00 H new ATOM 0 HA MET A 36 -20.549 -19.271 -3.516 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.885 -18.592 -4.783 1.00 0.00 H new ATOM 0 HB3 MET A 36 -18.191 -19.531 -3.335 1.00 0.00 H new ATOM 0 HG2 MET A 36 -19.553 -20.948 -5.317 1.00 0.00 H new ATOM 0 HG3 MET A 36 -18.115 -20.381 -6.142 1.00 0.00 H new ATOM 0 HE1 MET A 36 -15.325 -22.326 -5.077 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.951 -20.797 -5.740 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.436 -20.885 -4.039 1.00 0.00 H new ATOM 661 N SER A 37 -18.997 -17.051 -2.725 1.00 0.00 N ATOM 662 CA SER A 37 -18.797 -15.724 -2.162 1.00 0.00 C ATOM 663 C SER A 37 -17.319 -15.354 -2.171 1.00 0.00 C ATOM 664 O SER A 37 -16.451 -16.223 -2.264 1.00 0.00 O ATOM 665 CB SER A 37 -19.340 -15.665 -0.732 1.00 0.00 C ATOM 666 OG SER A 37 -19.130 -14.384 -0.161 1.00 0.00 O ATOM 0 H SER A 37 -18.437 -17.784 -2.289 1.00 0.00 H new ATOM 0 HA SER A 37 -19.340 -15.007 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.405 -15.896 -0.734 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.850 -16.424 -0.122 1.00 0.00 H new ATOM 0 HG SER A 37 -19.487 -14.370 0.752 1.00 0.00 H new ATOM 672 N ASN A 38 -17.038 -14.060 -2.066 1.00 0.00 N ATOM 673 CA ASN A 38 -15.663 -13.575 -2.055 1.00 0.00 C ATOM 674 C ASN A 38 -14.860 -14.238 -0.940 1.00 0.00 C ATOM 675 O ASN A 38 -13.631 -14.252 -0.974 1.00 0.00 O ATOM 676 CB ASN A 38 -15.643 -12.057 -1.872 1.00 0.00 C ATOM 677 CG ASN A 38 -16.466 -11.335 -2.922 1.00 0.00 C ATOM 678 OD1 ASN A 38 -17.491 -10.729 -2.612 1.00 0.00 O ATOM 679 ND2 ASN A 38 -16.021 -11.399 -4.169 1.00 0.00 N ATOM 0 H ASN A 38 -17.744 -13.328 -1.987 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.205 -13.831 -3.011 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.025 -11.809 -0.882 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -14.613 -11.703 -1.915 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.534 -10.934 -4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -15.166 -11.913 -4.379 1.00 0.00 H new ATOM 686 N LEU A 39 -15.561 -14.789 0.043 1.00 0.00 N ATOM 687 CA LEU A 39 -14.910 -15.451 1.166 1.00 0.00 C ATOM 688 C LEU A 39 -14.235 -16.742 0.717 1.00 0.00 C ATOM 689 O LEU A 39 -13.121 -17.052 1.141 1.00 0.00 O ATOM 690 CB LEU A 39 -15.926 -15.753 2.270 1.00 0.00 C ATOM 691 CG LEU A 39 -16.265 -14.571 3.179 1.00 0.00 C ATOM 692 CD1 LEU A 39 -15.069 -14.200 4.041 1.00 0.00 C ATOM 693 CD2 LEU A 39 -16.719 -13.377 2.354 1.00 0.00 C ATOM 0 H LEU A 39 -16.580 -14.790 0.085 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.148 -14.778 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -16.846 -16.112 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.540 -16.566 2.885 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.083 -14.866 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.329 -13.357 4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.788 -15.052 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.231 -13.924 3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.956 -12.545 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.922 -13.081 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -17.605 -13.647 1.780 1.00 0.00 H new ATOM 705 N ASP A 40 -14.915 -17.490 -0.145 1.00 0.00 N ATOM 706 CA ASP A 40 -14.376 -18.746 -0.651 1.00 0.00 C ATOM 707 C ASP A 40 -13.096 -18.503 -1.441 1.00 0.00 C ATOM 708 O ASP A 40 -12.191 -19.337 -1.444 1.00 0.00 O ATOM 709 CB ASP A 40 -15.409 -19.454 -1.531 1.00 0.00 C ATOM 710 CG ASP A 40 -16.304 -20.385 -0.736 1.00 0.00 C ATOM 711 OD1 ASP A 40 -15.834 -20.936 0.282 1.00 0.00 O ATOM 712 OD2 ASP A 40 -17.476 -20.561 -1.131 1.00 0.00 O ATOM 0 H ASP A 40 -15.838 -17.249 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.142 -19.384 0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.023 -18.709 -2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.894 -20.023 -2.305 1.00 0.00 H new ATOM 717 N LEU A 41 -13.026 -17.357 -2.108 1.00 0.00 N ATOM 718 CA LEU A 41 -11.858 -17.004 -2.897 1.00 0.00 C ATOM 719 C LEU A 41 -10.840 -16.245 -2.053 1.00 0.00 C ATOM 720 O LEU A 41 -9.633 -16.431 -2.207 1.00 0.00 O ATOM 721 CB LEU A 41 -12.270 -16.169 -4.111 1.00 0.00 C ATOM 722 CG LEU A 41 -13.275 -15.046 -3.845 1.00 0.00 C ATOM 723 CD1 LEU A 41 -12.550 -13.735 -3.583 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.231 -14.901 -5.021 1.00 0.00 C ATOM 0 H LEU A 41 -13.768 -16.657 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.391 -17.925 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.372 -15.730 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.693 -16.838 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.854 -15.302 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.279 -12.947 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.903 -13.845 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.947 -13.472 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.940 -14.098 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.666 -14.665 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.773 -15.835 -5.167 1.00 0.00 H new ATOM 736 N THR A 42 -11.330 -15.395 -1.154 1.00 0.00 N ATOM 737 CA THR A 42 -10.453 -14.621 -0.283 1.00 0.00 C ATOM 738 C THR A 42 -9.556 -15.548 0.530 1.00 0.00 C ATOM 739 O THR A 42 -8.374 -15.267 0.730 1.00 0.00 O ATOM 740 CB THR A 42 -11.281 -13.730 0.649 1.00 0.00 C ATOM 741 OG1 THR A 42 -11.963 -12.731 -0.086 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.456 -13.027 1.708 1.00 0.00 C ATOM 0 H THR A 42 -12.326 -15.226 -1.011 1.00 0.00 H new ATOM 0 HA THR A 42 -9.822 -13.985 -0.904 1.00 0.00 H new ATOM 0 HB THR A 42 -11.976 -14.408 1.143 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.876 -13.031 -0.277 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.108 -12.415 2.330 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.953 -13.768 2.329 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.712 -12.392 1.227 1.00 0.00 H new ATOM 750 N LYS A 43 -10.123 -16.660 0.990 1.00 0.00 N ATOM 751 CA LYS A 43 -9.369 -17.632 1.771 1.00 0.00 C ATOM 752 C LYS A 43 -8.273 -18.256 0.912 1.00 0.00 C ATOM 753 O LYS A 43 -7.148 -18.458 1.367 1.00 0.00 O ATOM 754 CB LYS A 43 -10.321 -18.705 2.328 1.00 0.00 C ATOM 755 CG LYS A 43 -9.728 -20.105 2.404 1.00 0.00 C ATOM 756 CD LYS A 43 -10.046 -20.908 1.153 1.00 0.00 C ATOM 757 CE LYS A 43 -11.368 -21.650 1.290 1.00 0.00 C ATOM 758 NZ LYS A 43 -11.234 -22.879 2.119 1.00 0.00 N ATOM 0 H LYS A 43 -11.100 -16.909 0.835 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.892 -17.130 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.639 -18.406 3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.215 -18.737 1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.647 -20.038 2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.121 -20.622 3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.089 -20.241 0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.244 -21.622 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.110 -20.989 1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.737 -21.919 0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.153 -23.363 2.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.533 -23.514 1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.923 -22.619 3.077 1.00 0.00 H new ATOM 772 N ILE A 44 -8.615 -18.550 -0.337 1.00 0.00 N ATOM 773 CA ILE A 44 -7.671 -19.143 -1.277 1.00 0.00 C ATOM 774 C ILE A 44 -6.447 -18.252 -1.459 1.00 0.00 C ATOM 775 O ILE A 44 -5.314 -18.732 -1.500 1.00 0.00 O ATOM 776 CB ILE A 44 -8.330 -19.373 -2.653 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.562 -20.264 -2.516 1.00 0.00 C ATOM 778 CG2 ILE A 44 -7.341 -19.987 -3.631 1.00 0.00 C ATOM 779 CD1 ILE A 44 -10.490 -20.192 -3.709 1.00 0.00 C ATOM 0 H ILE A 44 -9.544 -18.386 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.362 -20.101 -0.860 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.643 -18.405 -3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.241 -21.296 -2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.111 -19.977 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.829 -20.140 -4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.491 -19.317 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.994 -20.945 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.344 -20.849 -3.546 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.839 -19.167 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.956 -20.508 -4.605 1.00 0.00 H new ATOM 791 N LEU A 45 -6.688 -16.951 -1.582 1.00 0.00 N ATOM 792 CA LEU A 45 -5.612 -15.986 -1.775 1.00 0.00 C ATOM 793 C LEU A 45 -4.875 -15.703 -0.470 1.00 0.00 C ATOM 794 O LEU A 45 -3.693 -15.358 -0.478 1.00 0.00 O ATOM 795 CB LEU A 45 -6.170 -14.693 -2.363 1.00 0.00 C ATOM 796 CG LEU A 45 -6.668 -14.814 -3.804 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.415 -13.559 -4.226 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.503 -15.088 -4.742 1.00 0.00 C ATOM 0 H LEU A 45 -7.621 -16.540 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.894 -16.416 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.992 -14.349 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.396 -13.927 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.363 -15.652 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.759 -13.669 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.273 -13.408 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.749 -12.699 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.871 -15.172 -5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.786 -14.269 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.016 -16.020 -4.454 1.00 0.00 H new ATOM 810 N SER A 46 -5.571 -15.860 0.649 1.00 0.00 N ATOM 811 CA SER A 46 -4.965 -15.631 1.955 1.00 0.00 C ATOM 812 C SER A 46 -4.137 -16.842 2.375 1.00 0.00 C ATOM 813 O SER A 46 -3.373 -16.784 3.339 1.00 0.00 O ATOM 814 CB SER A 46 -6.041 -15.334 3.002 1.00 0.00 C ATOM 815 OG SER A 46 -5.573 -15.607 4.311 1.00 0.00 O ATOM 0 H SER A 46 -6.550 -16.143 0.679 1.00 0.00 H new ATOM 0 HA SER A 46 -4.306 -14.766 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.342 -14.289 2.931 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.927 -15.935 2.797 1.00 0.00 H new ATOM 0 HG SER A 46 -4.610 -15.787 4.283 1.00 0.00 H new ATOM 821 N LYS A 47 -4.298 -17.936 1.638 1.00 0.00 N ATOM 822 CA LYS A 47 -3.575 -19.162 1.912 1.00 0.00 C ATOM 823 C LYS A 47 -2.384 -19.298 0.967 1.00 0.00 C ATOM 824 O LYS A 47 -1.307 -19.733 1.369 1.00 0.00 O ATOM 825 CB LYS A 47 -4.523 -20.351 1.754 1.00 0.00 C ATOM 826 CG LYS A 47 -3.825 -21.701 1.771 1.00 0.00 C ATOM 827 CD LYS A 47 -3.830 -22.351 0.396 1.00 0.00 C ATOM 828 CE LYS A 47 -2.629 -23.260 0.205 1.00 0.00 C ATOM 829 NZ LYS A 47 -2.699 -24.012 -1.079 1.00 0.00 N ATOM 0 H LYS A 47 -4.930 -17.993 0.840 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.195 -19.139 2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.261 -20.324 2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.068 -20.246 0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.797 -21.576 2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.319 -22.358 2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.747 -22.926 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.829 -21.578 -0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.716 -22.665 0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.571 -23.964 1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.861 -24.621 -1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.557 -24.600 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.728 -23.341 -1.873 1.00 0.00 H new ATOM 843 N LYS A 48 -2.591 -18.916 -0.291 1.00 0.00 N ATOM 844 CA LYS A 48 -1.538 -18.988 -1.297 1.00 0.00 C ATOM 845 C LYS A 48 -0.386 -18.054 -0.942 1.00 0.00 C ATOM 846 O LYS A 48 0.768 -18.474 -0.864 1.00 0.00 O ATOM 847 CB LYS A 48 -2.093 -18.622 -2.674 1.00 0.00 C ATOM 848 CG LYS A 48 -2.779 -19.777 -3.385 1.00 0.00 C ATOM 849 CD LYS A 48 -3.721 -19.279 -4.468 1.00 0.00 C ATOM 850 CE LYS A 48 -4.048 -20.374 -5.473 1.00 0.00 C ATOM 851 NZ LYS A 48 -3.831 -19.922 -6.875 1.00 0.00 N ATOM 0 H LYS A 48 -3.479 -18.553 -0.637 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.164 -20.011 -1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.803 -17.802 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.278 -18.256 -3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.028 -20.432 -3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.336 -20.373 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.642 -18.917 -4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.267 -18.433 -4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.428 -21.248 -5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.085 -20.684 -5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.065 -20.696 -7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.441 -19.104 -7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.835 -19.650 -7.002 1.00 0.00 H new ATOM 865 N TYR A 49 -0.711 -16.780 -0.729 1.00 0.00 N ATOM 866 CA TYR A 49 0.290 -15.783 -0.386 1.00 0.00 C ATOM 867 C TYR A 49 1.165 -16.256 0.768 1.00 0.00 C ATOM 868 O TYR A 49 2.380 -16.379 0.627 1.00 0.00 O ATOM 869 CB TYR A 49 -0.389 -14.465 -0.017 1.00 0.00 C ATOM 870 CG TYR A 49 0.557 -13.292 0.013 1.00 0.00 C ATOM 871 CD1 TYR A 49 1.039 -12.739 -1.164 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.969 -12.739 1.218 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.910 -11.666 -1.144 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.837 -11.668 1.248 1.00 0.00 C ATOM 875 CZ TYR A 49 2.306 -11.133 0.066 1.00 0.00 C ATOM 876 OH TYR A 49 3.172 -10.065 0.092 1.00 0.00 O ATOM 0 H TYR A 49 -1.663 -16.418 -0.789 1.00 0.00 H new ATOM 0 HA TYR A 49 0.928 -15.631 -1.257 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.185 -14.262 -0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.859 -14.568 0.961 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.729 -13.154 -2.112 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.604 -13.154 2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.278 -11.247 -2.069 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.149 -11.249 2.194 1.00 0.00 H new ATOM 0 HH TYR A 49 2.818 -9.371 0.687 1.00 0.00 H new ATOM 886 N LYS A 50 0.541 -16.528 1.908 1.00 0.00 N ATOM 887 CA LYS A 50 1.269 -16.994 3.086 1.00 0.00 C ATOM 888 C LYS A 50 2.139 -18.195 2.739 1.00 0.00 C ATOM 889 O LYS A 50 3.280 -18.301 3.190 1.00 0.00 O ATOM 890 CB LYS A 50 0.296 -17.360 4.206 1.00 0.00 C ATOM 891 CG LYS A 50 -0.523 -16.182 4.703 1.00 0.00 C ATOM 892 CD LYS A 50 0.134 -15.511 5.900 1.00 0.00 C ATOM 893 CE LYS A 50 1.520 -14.986 5.556 1.00 0.00 C ATOM 894 NZ LYS A 50 1.944 -13.896 6.478 1.00 0.00 N ATOM 0 H LYS A 50 -0.466 -16.435 2.043 1.00 0.00 H new ATOM 0 HA LYS A 50 1.913 -16.184 3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.379 -18.138 3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.856 -17.781 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.644 -15.456 3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.521 -16.522 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.492 -14.688 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.208 -16.223 6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.240 -15.803 5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.524 -14.617 4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.893 -13.565 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.271 -13.106 6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.964 -14.255 7.454 1.00 0.00 H new ATOM 908 N GLU A 51 1.593 -19.094 1.928 1.00 0.00 N ATOM 909 CA GLU A 51 2.321 -20.288 1.510 1.00 0.00 C ATOM 910 C GLU A 51 3.634 -19.907 0.831 1.00 0.00 C ATOM 911 O GLU A 51 4.595 -20.678 0.841 1.00 0.00 O ATOM 912 CB GLU A 51 1.462 -21.128 0.561 1.00 0.00 C ATOM 913 CG GLU A 51 1.239 -22.552 1.044 1.00 0.00 C ATOM 914 CD GLU A 51 0.543 -22.609 2.391 1.00 0.00 C ATOM 915 OE1 GLU A 51 -0.135 -21.624 2.751 1.00 0.00 O ATOM 916 OE2 GLU A 51 0.676 -23.638 3.085 1.00 0.00 O ATOM 0 H GLU A 51 0.650 -19.020 1.547 1.00 0.00 H new ATOM 0 HA GLU A 51 2.549 -20.879 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.495 -20.641 0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.938 -21.156 -0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.643 -23.092 0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.199 -23.063 1.114 1.00 0.00 H new ATOM 923 N LEU A 52 3.669 -18.714 0.242 1.00 0.00 N ATOM 924 CA LEU A 52 4.866 -18.229 -0.439 1.00 0.00 C ATOM 925 C LEU A 52 6.085 -18.293 0.478 1.00 0.00 C ATOM 926 O LEU A 52 6.020 -17.894 1.639 1.00 0.00 O ATOM 927 CB LEU A 52 4.665 -16.791 -0.923 1.00 0.00 C ATOM 928 CG LEU A 52 3.549 -16.600 -1.952 1.00 0.00 C ATOM 929 CD1 LEU A 52 3.184 -15.128 -2.074 1.00 0.00 C ATOM 930 CD2 LEU A 52 3.969 -17.158 -3.302 1.00 0.00 C ATOM 0 H LEU A 52 2.882 -18.066 0.223 1.00 0.00 H new ATOM 0 HA LEU A 52 5.041 -18.876 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.453 -16.160 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.601 -16.436 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 52 2.669 -17.146 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.389 -15.010 -2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.842 -14.757 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.059 -14.561 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.163 -17.014 -4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.863 -16.639 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.183 -18.222 -3.205 1.00 0.00 H new ATOM 942 N PRO A 53 7.222 -18.791 -0.040 1.00 0.00 N ATOM 943 CA PRO A 53 8.465 -18.899 0.734 1.00 0.00 C ATOM 944 C PRO A 53 9.133 -17.553 0.979 1.00 0.00 C ATOM 945 O PRO A 53 10.350 -17.476 1.144 1.00 0.00 O ATOM 946 CB PRO A 53 9.376 -19.734 -0.154 1.00 0.00 C ATOM 947 CG PRO A 53 8.846 -19.582 -1.538 1.00 0.00 C ATOM 948 CD PRO A 53 7.378 -19.288 -1.418 1.00 0.00 C ATOM 0 HA PRO A 53 8.267 -19.323 1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.408 -19.388 -0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.371 -20.780 0.154 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.359 -18.775 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.011 -20.491 -2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.060 -18.544 -2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.777 -20.181 -1.590 1.00 0.00 H new ATOM 956 N GLU A 54 8.341 -16.499 0.970 1.00 0.00 N ATOM 957 CA GLU A 54 8.854 -15.145 1.160 1.00 0.00 C ATOM 958 C GLU A 54 9.840 -14.783 0.054 1.00 0.00 C ATOM 959 O GLU A 54 10.456 -13.717 0.092 1.00 0.00 O ATOM 960 CB GLU A 54 9.527 -14.971 2.533 1.00 0.00 C ATOM 961 CG GLU A 54 9.443 -16.185 3.441 1.00 0.00 C ATOM 962 CD GLU A 54 9.534 -15.825 4.910 1.00 0.00 C ATOM 963 OE1 GLU A 54 9.198 -14.675 5.261 1.00 0.00 O ATOM 964 OE2 GLU A 54 9.941 -16.693 5.710 1.00 0.00 O ATOM 0 H GLU A 54 7.332 -16.549 0.833 1.00 0.00 H new ATOM 0 HA GLU A 54 7.998 -14.471 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.577 -14.722 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.070 -14.122 3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.504 -16.707 3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.247 -16.877 3.190 1.00 0.00 H new ATOM 971 N LYS A 55 9.991 -15.665 -0.935 1.00 0.00 N ATOM 972 CA LYS A 55 10.906 -15.404 -2.032 1.00 0.00 C ATOM 973 C LYS A 55 10.231 -14.550 -3.107 1.00 0.00 C ATOM 974 O LYS A 55 10.892 -13.803 -3.827 1.00 0.00 O ATOM 975 CB LYS A 55 11.418 -16.720 -2.633 1.00 0.00 C ATOM 976 CG LYS A 55 10.491 -17.337 -3.669 1.00 0.00 C ATOM 977 CD LYS A 55 10.906 -16.962 -5.082 1.00 0.00 C ATOM 978 CE LYS A 55 12.121 -17.758 -5.533 1.00 0.00 C ATOM 979 NZ LYS A 55 12.561 -17.377 -6.903 1.00 0.00 N ATOM 0 H LYS A 55 9.495 -16.554 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 55 11.759 -14.850 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.390 -16.542 -3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.573 -17.438 -1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.496 -18.422 -3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.469 -17.004 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.077 -17.142 -5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.130 -15.896 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.940 -17.598 -4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.886 -18.822 -5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.391 -17.943 -7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.789 -17.554 -7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.811 -16.368 -6.919 1.00 0.00 H new ATOM 993 N LYS A 56 8.908 -14.666 -3.201 1.00 0.00 N ATOM 994 CA LYS A 56 8.137 -13.904 -4.180 1.00 0.00 C ATOM 995 C LYS A 56 7.478 -12.685 -3.540 1.00 0.00 C ATOM 996 O LYS A 56 6.815 -11.903 -4.220 1.00 0.00 O ATOM 997 CB LYS A 56 7.064 -14.782 -4.821 1.00 0.00 C ATOM 998 CG LYS A 56 7.624 -15.938 -5.634 1.00 0.00 C ATOM 999 CD LYS A 56 6.533 -16.920 -6.032 1.00 0.00 C ATOM 1000 CE LYS A 56 6.402 -18.048 -5.021 1.00 0.00 C ATOM 1001 NZ LYS A 56 7.575 -18.966 -5.058 1.00 0.00 N ATOM 0 H LYS A 56 8.348 -15.281 -2.611 1.00 0.00 H new ATOM 0 HA LYS A 56 8.832 -13.563 -4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.418 -15.180 -4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.440 -14.164 -5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.112 -15.552 -6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.387 -16.456 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.582 -16.394 -6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.757 -17.335 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.301 -17.628 -4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.492 -18.613 -5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.256 -19.944 -4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.041 -18.897 -5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.248 -18.699 -4.312 1.00 0.00 H new ATOM 1015 N LYS A 57 7.662 -12.526 -2.235 1.00 0.00 N ATOM 1016 CA LYS A 57 7.089 -11.394 -1.520 1.00 0.00 C ATOM 1017 C LYS A 57 8.135 -10.307 -1.343 1.00 0.00 C ATOM 1018 O LYS A 57 7.825 -9.117 -1.390 1.00 0.00 O ATOM 1019 CB LYS A 57 6.552 -11.839 -0.164 1.00 0.00 C ATOM 1020 CG LYS A 57 5.581 -12.998 -0.267 1.00 0.00 C ATOM 1021 CD LYS A 57 5.660 -13.901 0.955 1.00 0.00 C ATOM 1022 CE LYS A 57 4.318 -14.013 1.658 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.459 -14.551 3.039 1.00 0.00 N ATOM 0 H LYS A 57 8.202 -13.165 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 57 6.261 -10.993 -2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.387 -12.126 0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.056 -10.997 0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.566 -12.615 -0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.798 -13.578 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.997 -14.893 0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.403 -13.509 1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.845 -13.032 1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.659 -14.662 1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.522 -14.612 3.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.887 -15.498 3.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.067 -13.919 3.597 1.00 0.00 H new ATOM 1037 N MET A 58 9.383 -10.729 -1.173 1.00 0.00 N ATOM 1038 CA MET A 58 10.488 -9.796 -1.024 1.00 0.00 C ATOM 1039 C MET A 58 10.534 -8.863 -2.226 1.00 0.00 C ATOM 1040 O MET A 58 11.055 -7.752 -2.152 1.00 0.00 O ATOM 1041 CB MET A 58 11.803 -10.560 -0.907 1.00 0.00 C ATOM 1042 CG MET A 58 12.040 -11.160 0.470 1.00 0.00 C ATOM 1043 SD MET A 58 13.225 -10.216 1.447 1.00 0.00 S ATOM 1044 CE MET A 58 12.169 -9.596 2.755 1.00 0.00 C ATOM 0 H MET A 58 9.652 -11.712 -1.135 1.00 0.00 H new ATOM 0 HA MET A 58 10.341 -9.208 -0.118 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.816 -11.358 -1.649 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.626 -9.888 -1.147 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.093 -11.212 1.007 1.00 0.00 H new ATOM 0 HG3 MET A 58 12.400 -12.183 0.359 1.00 0.00 H new ATOM 0 HE1 MET A 58 12.759 -8.991 3.443 1.00 0.00 H new ATOM 0 HE2 MET A 58 11.376 -8.986 2.324 1.00 0.00 H new ATOM 0 HE3 MET A 58 11.729 -10.434 3.295 1.00 0.00 H new ATOM 1054 N LYS A 59 9.966 -9.332 -3.332 1.00 0.00 N ATOM 1055 CA LYS A 59 9.912 -8.561 -4.562 1.00 0.00 C ATOM 1056 C LYS A 59 8.731 -7.602 -4.529 1.00 0.00 C ATOM 1057 O LYS A 59 8.891 -6.403 -4.756 1.00 0.00 O ATOM 1058 CB LYS A 59 9.801 -9.488 -5.774 1.00 0.00 C ATOM 1059 CG LYS A 59 8.938 -10.718 -5.546 1.00 0.00 C ATOM 1060 CD LYS A 59 8.028 -10.994 -6.735 1.00 0.00 C ATOM 1061 CE LYS A 59 8.532 -12.164 -7.563 1.00 0.00 C ATOM 1062 NZ LYS A 59 7.542 -12.581 -8.595 1.00 0.00 N ATOM 0 H LYS A 59 9.533 -10.253 -3.398 1.00 0.00 H new ATOM 0 HA LYS A 59 10.834 -7.986 -4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.393 -8.923 -6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.802 -9.810 -6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.577 -11.583 -5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.334 -10.578 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.019 -11.206 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.966 -10.104 -7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.468 -11.889 -8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.749 -13.007 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.923 -13.381 -9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.657 -12.868 -8.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.354 -11.785 -9.237 1.00 0.00 H new ATOM 1076 N TYR A 60 7.546 -8.129 -4.229 1.00 0.00 N ATOM 1077 CA TYR A 60 6.352 -7.297 -4.154 1.00 0.00 C ATOM 1078 C TYR A 60 6.533 -6.206 -3.112 1.00 0.00 C ATOM 1079 O TYR A 60 6.406 -5.020 -3.407 1.00 0.00 O ATOM 1080 CB TYR A 60 5.134 -8.125 -3.768 1.00 0.00 C ATOM 1081 CG TYR A 60 4.706 -9.141 -4.797 1.00 0.00 C ATOM 1082 CD1 TYR A 60 4.750 -8.854 -6.153 1.00 0.00 C ATOM 1083 CD2 TYR A 60 4.241 -10.385 -4.401 1.00 0.00 C ATOM 1084 CE1 TYR A 60 4.341 -9.785 -7.089 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.834 -11.320 -5.326 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.884 -11.018 -6.669 1.00 0.00 C ATOM 1087 OH TYR A 60 3.476 -11.949 -7.597 1.00 0.00 O ATOM 0 H TYR A 60 7.389 -9.118 -4.036 1.00 0.00 H new ATOM 0 HA TYR A 60 6.198 -6.857 -5.139 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.346 -8.643 -2.833 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.300 -7.450 -3.576 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.109 -7.890 -6.482 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.197 -10.625 -3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.379 -9.549 -8.142 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.477 -12.286 -5.000 1.00 0.00 H new ATOM 0 HH TYR A 60 3.184 -12.764 -7.137 1.00 0.00 H new ATOM 1097 N ILE A 61 6.822 -6.626 -1.881 1.00 0.00 N ATOM 1098 CA ILE A 61 7.008 -5.694 -0.776 1.00 0.00 C ATOM 1099 C ILE A 61 8.049 -4.639 -1.119 1.00 0.00 C ATOM 1100 O ILE A 61 7.938 -3.486 -0.702 1.00 0.00 O ATOM 1101 CB ILE A 61 7.412 -6.423 0.525 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.346 -7.463 0.893 1.00 0.00 C ATOM 1103 CG2 ILE A 61 7.597 -5.421 1.657 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.900 -8.761 1.435 1.00 0.00 C ATOM 0 H ILE A 61 6.932 -7.608 -1.626 1.00 0.00 H new ATOM 0 HA ILE A 61 6.049 -5.204 -0.610 1.00 0.00 H new ATOM 0 HB ILE A 61 8.360 -6.936 0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.675 -7.031 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.746 -7.679 0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.881 -5.949 2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.379 -4.711 1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.663 -4.885 1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.078 -9.438 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.547 -9.221 0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.475 -8.562 2.340 1.00 0.00 H new ATOM 1116 N GLN A 62 9.047 -5.031 -1.896 1.00 0.00 N ATOM 1117 CA GLN A 62 10.087 -4.104 -2.307 1.00 0.00 C ATOM 1118 C GLN A 62 9.621 -3.295 -3.509 1.00 0.00 C ATOM 1119 O GLN A 62 10.024 -2.143 -3.688 1.00 0.00 O ATOM 1120 CB GLN A 62 11.377 -4.853 -2.646 1.00 0.00 C ATOM 1121 CG GLN A 62 12.241 -5.159 -1.434 1.00 0.00 C ATOM 1122 CD GLN A 62 13.710 -5.294 -1.785 1.00 0.00 C ATOM 1123 OE1 GLN A 62 14.579 -4.807 -1.063 1.00 0.00 O ATOM 1124 NE2 GLN A 62 13.994 -5.957 -2.901 1.00 0.00 N ATOM 0 H GLN A 62 9.158 -5.980 -2.253 1.00 0.00 H new ATOM 0 HA GLN A 62 10.290 -3.426 -1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.123 -5.788 -3.146 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.956 -4.260 -3.354 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.119 -4.366 -0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.896 -6.083 -0.970 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.241 -6.344 -3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.965 -6.079 -3.189 1.00 0.00 H new ATOM 1133 N ASP A 63 8.728 -3.883 -4.308 1.00 0.00 N ATOM 1134 CA ASP A 63 8.187 -3.186 -5.461 1.00 0.00 C ATOM 1135 C ASP A 63 7.050 -2.302 -5.000 1.00 0.00 C ATOM 1136 O ASP A 63 6.521 -1.483 -5.752 1.00 0.00 O ATOM 1137 CB ASP A 63 7.695 -4.180 -6.515 1.00 0.00 C ATOM 1138 CG ASP A 63 7.615 -3.564 -7.898 1.00 0.00 C ATOM 1139 OD1 ASP A 63 6.636 -2.836 -8.168 1.00 0.00 O ATOM 1140 OD2 ASP A 63 8.532 -3.808 -8.711 1.00 0.00 O ATOM 0 H ASP A 63 8.372 -4.829 -4.175 1.00 0.00 H new ATOM 0 HA ASP A 63 8.968 -2.578 -5.918 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.365 -5.039 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.711 -4.552 -6.228 1.00 0.00 H new ATOM 1145 N PHE A 64 6.685 -2.488 -3.740 1.00 0.00 N ATOM 1146 CA PHE A 64 5.623 -1.738 -3.130 1.00 0.00 C ATOM 1147 C PHE A 64 6.172 -0.616 -2.281 1.00 0.00 C ATOM 1148 O PHE A 64 5.913 0.560 -2.537 1.00 0.00 O ATOM 1149 CB PHE A 64 4.775 -2.657 -2.272 1.00 0.00 C ATOM 1150 CG PHE A 64 3.337 -2.483 -2.557 1.00 0.00 C ATOM 1151 CD1 PHE A 64 2.742 -1.265 -2.331 1.00 0.00 C ATOM 1152 CD2 PHE A 64 2.596 -3.518 -3.071 1.00 0.00 C ATOM 1153 CE1 PHE A 64 1.417 -1.069 -2.610 1.00 0.00 C ATOM 1154 CE2 PHE A 64 1.257 -3.339 -3.362 1.00 0.00 C ATOM 1155 CZ PHE A 64 0.664 -2.108 -3.129 1.00 0.00 C ATOM 0 H PHE A 64 7.125 -3.168 -3.119 1.00 0.00 H new ATOM 0 HA PHE A 64 5.011 -1.304 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 64 5.061 -3.693 -2.453 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.966 -2.453 -1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.328 -0.452 -1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.061 -4.476 -3.249 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.961 -0.108 -2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.676 -4.154 -3.769 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.382 -1.960 -3.352 1.00 0.00 H new ATOM 1165 N GLN A 65 6.931 -0.987 -1.262 1.00 0.00 N ATOM 1166 CA GLN A 65 7.511 -0.008 -0.372 1.00 0.00 C ATOM 1167 C GLN A 65 8.266 1.044 -1.176 1.00 0.00 C ATOM 1168 O GLN A 65 8.314 2.215 -0.796 1.00 0.00 O ATOM 1169 CB GLN A 65 8.442 -0.686 0.636 1.00 0.00 C ATOM 1170 CG GLN A 65 7.729 -1.662 1.558 1.00 0.00 C ATOM 1171 CD GLN A 65 7.535 -1.110 2.956 1.00 0.00 C ATOM 1172 OE1 GLN A 65 8.146 -0.111 3.333 1.00 0.00 O ATOM 1173 NE2 GLN A 65 6.677 -1.761 3.736 1.00 0.00 N ATOM 0 H GLN A 65 7.156 -1.956 -1.036 1.00 0.00 H new ATOM 0 HA GLN A 65 6.710 0.483 0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.226 -1.216 0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.932 0.079 1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.757 -1.913 1.133 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.302 -2.588 1.613 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.191 -2.586 3.383 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.505 -1.436 4.687 1.00 0.00 H new ATOM 1182 N ARG A 66 8.843 0.623 -2.303 1.00 0.00 N ATOM 1183 CA ARG A 66 9.571 1.541 -3.165 1.00 0.00 C ATOM 1184 C ARG A 66 8.648 2.647 -3.674 1.00 0.00 C ATOM 1185 O ARG A 66 9.106 3.725 -4.049 1.00 0.00 O ATOM 1186 CB ARG A 66 10.189 0.788 -4.344 1.00 0.00 C ATOM 1187 CG ARG A 66 11.587 0.267 -4.060 1.00 0.00 C ATOM 1188 CD ARG A 66 12.649 1.103 -4.757 1.00 0.00 C ATOM 1189 NE ARG A 66 12.965 2.318 -4.010 1.00 0.00 N ATOM 1190 CZ ARG A 66 13.801 3.259 -4.444 1.00 0.00 C ATOM 1191 NH1 ARG A 66 14.406 3.130 -5.618 1.00 0.00 N ATOM 1192 NH2 ARG A 66 14.033 4.333 -3.702 1.00 0.00 N ATOM 0 H ARG A 66 8.818 -0.341 -2.634 1.00 0.00 H new ATOM 0 HA ARG A 66 10.371 1.997 -2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.544 -0.050 -4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.225 1.449 -5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.766 0.273 -2.985 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.664 -0.769 -4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.554 0.509 -4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.303 1.371 -5.755 1.00 0.00 H new ATOM 0 HE ARG A 66 12.519 2.453 -3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.232 2.306 -6.194 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.045 3.855 -5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.571 4.438 -2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.673 5.054 -4.034 1.00 0.00 H new ATOM 1206 N GLU A 67 7.342 2.374 -3.674 1.00 0.00 N ATOM 1207 CA GLU A 67 6.361 3.350 -4.127 1.00 0.00 C ATOM 1208 C GLU A 67 5.996 4.300 -2.992 1.00 0.00 C ATOM 1209 O GLU A 67 6.081 5.519 -3.139 1.00 0.00 O ATOM 1210 CB GLU A 67 5.107 2.643 -4.646 1.00 0.00 C ATOM 1211 CG GLU A 67 4.868 2.843 -6.135 1.00 0.00 C ATOM 1212 CD GLU A 67 3.669 3.726 -6.420 1.00 0.00 C ATOM 1213 OE1 GLU A 67 2.588 3.462 -5.849 1.00 0.00 O ATOM 1214 OE2 GLU A 67 3.808 4.681 -7.213 1.00 0.00 O ATOM 0 H GLU A 67 6.944 1.487 -3.366 1.00 0.00 H new ATOM 0 HA GLU A 67 6.798 3.928 -4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.190 1.576 -4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.240 3.008 -4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.756 3.286 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.721 1.873 -6.609 1.00 0.00 H new ATOM 1221 N LYS A 68 5.599 3.733 -1.855 1.00 0.00 N ATOM 1222 CA LYS A 68 5.231 4.532 -0.692 1.00 0.00 C ATOM 1223 C LYS A 68 6.387 5.425 -0.276 1.00 0.00 C ATOM 1224 O LYS A 68 6.190 6.553 0.178 1.00 0.00 O ATOM 1225 CB LYS A 68 4.818 3.630 0.472 1.00 0.00 C ATOM 1226 CG LYS A 68 3.314 3.429 0.582 1.00 0.00 C ATOM 1227 CD LYS A 68 2.961 2.459 1.697 1.00 0.00 C ATOM 1228 CE LYS A 68 1.501 2.584 2.101 1.00 0.00 C ATOM 1229 NZ LYS A 68 0.996 1.342 2.747 1.00 0.00 N ATOM 0 H LYS A 68 5.524 2.725 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 68 4.382 5.160 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.299 2.659 0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.188 4.060 1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.830 4.388 0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.926 3.053 -0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.164 1.439 1.371 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.597 2.650 2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.385 3.423 2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.898 2.806 1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.003 1.468 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.083 0.546 2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.554 1.144 3.602 1.00 0.00 H new ATOM 1243 N GLN A 69 7.596 4.915 -0.450 1.00 0.00 N ATOM 1244 CA GLN A 69 8.795 5.658 -0.112 1.00 0.00 C ATOM 1245 C GLN A 69 8.909 6.898 -0.989 1.00 0.00 C ATOM 1246 O GLN A 69 9.119 8.007 -0.495 1.00 0.00 O ATOM 1247 CB GLN A 69 10.013 4.765 -0.299 1.00 0.00 C ATOM 1248 CG GLN A 69 11.229 5.206 0.500 1.00 0.00 C ATOM 1249 CD GLN A 69 12.368 5.678 -0.381 1.00 0.00 C ATOM 1250 OE1 GLN A 69 13.384 4.997 -0.519 1.00 0.00 O ATOM 1251 NE2 GLN A 69 12.203 6.850 -0.984 1.00 0.00 N ATOM 0 H GLN A 69 7.771 3.983 -0.826 1.00 0.00 H new ATOM 0 HA GLN A 69 8.741 5.976 0.929 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.752 3.746 -0.012 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.275 4.741 -1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 69 10.942 6.010 1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.573 4.377 1.118 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.344 7.381 -0.841 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.935 7.219 -1.590 1.00 0.00 H new ATOM 1260 N GLU A 70 8.757 6.700 -2.294 1.00 0.00 N ATOM 1261 CA GLU A 70 8.829 7.799 -3.248 1.00 0.00 C ATOM 1262 C GLU A 70 7.542 8.624 -3.226 1.00 0.00 C ATOM 1263 O GLU A 70 7.507 9.747 -3.732 1.00 0.00 O ATOM 1264 CB GLU A 70 9.080 7.262 -4.658 1.00 0.00 C ATOM 1265 CG GLU A 70 10.000 8.141 -5.490 1.00 0.00 C ATOM 1266 CD GLU A 70 11.273 7.429 -5.902 1.00 0.00 C ATOM 1267 OE1 GLU A 70 12.152 7.235 -5.035 1.00 0.00 O ATOM 1268 OE2 GLU A 70 11.393 7.067 -7.091 1.00 0.00 O ATOM 0 H GLU A 70 8.583 5.787 -2.715 1.00 0.00 H new ATOM 0 HA GLU A 70 9.659 8.444 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.512 6.264 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.125 7.159 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.469 8.474 -6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.256 9.034 -4.920 1.00 0.00 H new ATOM 1275 N PHE A 71 6.487 8.064 -2.635 1.00 0.00 N ATOM 1276 CA PHE A 71 5.203 8.755 -2.547 1.00 0.00 C ATOM 1277 C PHE A 71 5.231 9.847 -1.476 1.00 0.00 C ATOM 1278 O PHE A 71 4.257 10.579 -1.306 1.00 0.00 O ATOM 1279 CB PHE A 71 4.080 7.761 -2.244 1.00 0.00 C ATOM 1280 CG PHE A 71 2.761 8.144 -2.853 1.00 0.00 C ATOM 1281 CD1 PHE A 71 2.479 7.835 -4.173 1.00 0.00 C ATOM 1282 CD2 PHE A 71 1.805 8.813 -2.105 1.00 0.00 C ATOM 1283 CE1 PHE A 71 1.267 8.185 -4.737 1.00 0.00 C ATOM 1284 CE2 PHE A 71 0.591 9.166 -2.663 1.00 0.00 C ATOM 1285 CZ PHE A 71 0.323 8.852 -3.982 1.00 0.00 C ATOM 0 H PHE A 71 6.497 7.136 -2.211 1.00 0.00 H new ATOM 0 HA PHE A 71 5.015 9.226 -3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.368 6.776 -2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.962 7.677 -1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.215 7.315 -4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.011 9.061 -1.074 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.058 7.937 -5.767 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.147 9.686 -2.070 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.624 9.128 -4.422 1.00 0.00 H new ATOM 1295 N GLU A 72 6.349 9.955 -0.759 1.00 0.00 N ATOM 1296 CA GLU A 72 6.495 10.960 0.285 1.00 0.00 C ATOM 1297 C GLU A 72 6.104 12.343 -0.230 1.00 0.00 C ATOM 1298 O GLU A 72 5.672 13.203 0.538 1.00 0.00 O ATOM 1299 CB GLU A 72 7.936 10.968 0.793 1.00 0.00 C ATOM 1300 CG GLU A 72 8.206 12.010 1.860 1.00 0.00 C ATOM 1301 CD GLU A 72 7.936 11.495 3.260 1.00 0.00 C ATOM 1302 OE1 GLU A 72 8.757 10.702 3.769 1.00 0.00 O ATOM 1303 OE2 GLU A 72 6.905 11.885 3.848 1.00 0.00 O ATOM 0 H GLU A 72 7.166 9.357 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 72 5.826 10.708 1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.175 9.983 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.606 11.142 -0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.244 12.335 1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.584 12.886 1.673 1.00 0.00 H new ATOM 1310 N ARG A 73 6.251 12.549 -1.537 1.00 0.00 N ATOM 1311 CA ARG A 73 5.904 13.824 -2.152 1.00 0.00 C ATOM 1312 C ARG A 73 4.440 14.163 -1.889 1.00 0.00 C ATOM 1313 O ARG A 73 4.075 15.330 -1.752 1.00 0.00 O ATOM 1314 CB ARG A 73 6.168 13.779 -3.658 1.00 0.00 C ATOM 1315 CG ARG A 73 7.609 14.084 -4.034 1.00 0.00 C ATOM 1316 CD ARG A 73 8.526 12.909 -3.733 1.00 0.00 C ATOM 1317 NE ARG A 73 9.882 13.131 -4.229 1.00 0.00 N ATOM 1318 CZ ARG A 73 10.929 12.385 -3.883 1.00 0.00 C ATOM 1319 NH1 ARG A 73 10.781 11.369 -3.041 1.00 0.00 N ATOM 1320 NH2 ARG A 73 12.129 12.656 -4.380 1.00 0.00 N ATOM 0 H ARG A 73 6.608 11.849 -2.188 1.00 0.00 H new ATOM 0 HA ARG A 73 6.528 14.600 -1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.905 12.791 -4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.513 14.495 -4.155 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.665 14.328 -5.095 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.950 14.963 -3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.557 12.740 -2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.118 12.005 -4.186 1.00 0.00 H new ATOM 0 HE ARG A 73 10.036 13.903 -4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.861 11.156 -2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.587 10.801 -2.780 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.249 13.436 -5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.932 12.085 -4.115 1.00 0.00 H new ATOM 1334 N ASN A 74 3.609 13.127 -1.811 1.00 0.00 N ATOM 1335 CA ASN A 74 2.185 13.304 -1.554 1.00 0.00 C ATOM 1336 C ASN A 74 1.904 13.290 -0.054 1.00 0.00 C ATOM 1337 O ASN A 74 0.934 13.888 0.412 1.00 0.00 O ATOM 1338 CB ASN A 74 1.379 12.206 -2.248 1.00 0.00 C ATOM 1339 CG ASN A 74 1.789 12.014 -3.696 1.00 0.00 C ATOM 1340 OD1 ASN A 74 2.133 10.908 -4.114 1.00 0.00 O ATOM 1341 ND2 ASN A 74 1.756 13.094 -4.468 1.00 0.00 N ATOM 0 H ASN A 74 3.899 12.155 -1.922 1.00 0.00 H new ATOM 0 HA ASN A 74 1.883 14.271 -1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.510 11.268 -1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.319 12.454 -2.203 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.022 13.027 -5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.464 13.990 -4.079 1.00 0.00 H new ATOM 1348 N LEU A 75 2.766 12.609 0.697 1.00 0.00 N ATOM 1349 CA LEU A 75 2.623 12.521 2.146 1.00 0.00 C ATOM 1350 C LEU A 75 3.144 13.785 2.830 1.00 0.00 C ATOM 1351 O LEU A 75 3.114 13.894 4.056 1.00 0.00 O ATOM 1352 CB LEU A 75 3.364 11.291 2.678 1.00 0.00 C ATOM 1353 CG LEU A 75 2.466 10.125 3.093 1.00 0.00 C ATOM 1354 CD1 LEU A 75 3.305 8.933 3.529 1.00 0.00 C ATOM 1355 CD2 LEU A 75 1.523 10.551 4.209 1.00 0.00 C ATOM 0 H LEU A 75 3.573 12.109 0.324 1.00 0.00 H new ATOM 0 HA LEU A 75 1.562 12.424 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.056 10.942 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.965 11.591 3.537 1.00 0.00 H new ATOM 0 HG LEU A 75 1.868 9.827 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.649 8.113 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.940 8.613 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.929 9.218 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.891 9.709 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.104 10.875 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.898 11.374 3.863 1.00 0.00 H new ATOM 1367 N ALA A 76 3.622 14.739 2.031 1.00 0.00 N ATOM 1368 CA ALA A 76 4.151 15.995 2.554 1.00 0.00 C ATOM 1369 C ALA A 76 3.165 16.683 3.500 1.00 0.00 C ATOM 1370 O ALA A 76 3.548 17.575 4.256 1.00 0.00 O ATOM 1371 CB ALA A 76 4.509 16.925 1.405 1.00 0.00 C ATOM 0 H ALA A 76 3.653 14.663 1.014 1.00 0.00 H new ATOM 0 HA ALA A 76 5.047 15.762 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.903 17.860 1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.263 16.452 0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.618 17.130 0.812 1.00 0.00 H new ATOM 1377 N ARG A 77 1.897 16.268 3.453 1.00 0.00 N ATOM 1378 CA ARG A 77 0.851 16.845 4.301 1.00 0.00 C ATOM 1379 C ARG A 77 1.365 17.166 5.707 1.00 0.00 C ATOM 1380 O ARG A 77 0.910 18.119 6.339 1.00 0.00 O ATOM 1381 CB ARG A 77 -0.336 15.884 4.393 1.00 0.00 C ATOM 1382 CG ARG A 77 -0.007 14.580 5.104 1.00 0.00 C ATOM 1383 CD ARG A 77 -0.709 14.482 6.450 1.00 0.00 C ATOM 1384 NE ARG A 77 -1.036 13.102 6.800 1.00 0.00 N ATOM 1385 CZ ARG A 77 -0.125 12.180 7.107 1.00 0.00 C ATOM 1386 NH1 ARG A 77 1.167 12.488 7.110 1.00 0.00 N ATOM 1387 NH2 ARG A 77 -0.507 10.948 7.415 1.00 0.00 N ATOM 0 H ARG A 77 1.568 15.529 2.832 1.00 0.00 H new ATOM 0 HA ARG A 77 0.535 17.781 3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.154 16.378 4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.691 15.661 3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.303 13.739 4.477 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.071 14.506 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.071 14.910 7.223 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.623 15.076 6.426 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.019 12.829 6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.466 13.435 6.876 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.860 11.778 7.346 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.498 10.707 7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.190 10.242 7.650 1.00 0.00 H new ATOM 1401 N PHE A 78 2.312 16.366 6.189 1.00 0.00 N ATOM 1402 CA PHE A 78 2.884 16.567 7.518 1.00 0.00 C ATOM 1403 C PHE A 78 3.336 18.013 7.712 1.00 0.00 C ATOM 1404 O PHE A 78 3.377 18.517 8.834 1.00 0.00 O ATOM 1405 CB PHE A 78 4.064 15.618 7.735 1.00 0.00 C ATOM 1406 CG PHE A 78 4.102 15.012 9.109 1.00 0.00 C ATOM 1407 CD1 PHE A 78 3.157 14.074 9.494 1.00 0.00 C ATOM 1408 CD2 PHE A 78 5.084 15.378 10.015 1.00 0.00 C ATOM 1409 CE1 PHE A 78 3.190 13.515 10.756 1.00 0.00 C ATOM 1410 CE2 PHE A 78 5.122 14.821 11.279 1.00 0.00 C ATOM 1411 CZ PHE A 78 4.173 13.887 11.651 1.00 0.00 C ATOM 0 H PHE A 78 2.700 15.572 5.679 1.00 0.00 H new ATOM 0 HA PHE A 78 2.109 16.350 8.253 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.018 14.819 6.995 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.993 16.161 7.560 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.386 13.777 8.799 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.828 16.107 9.730 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.446 12.786 11.043 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.893 15.115 11.976 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.201 13.450 12.638 1.00 0.00 H new ATOM 1421 N ARG A 79 3.676 18.676 6.610 1.00 0.00 N ATOM 1422 CA ARG A 79 4.125 20.063 6.659 1.00 0.00 C ATOM 1423 C ARG A 79 2.997 21.024 6.287 1.00 0.00 C ATOM 1424 O ARG A 79 3.048 22.210 6.614 1.00 0.00 O ATOM 1425 CB ARG A 79 5.313 20.269 5.715 1.00 0.00 C ATOM 1426 CG ARG A 79 6.540 19.457 6.096 1.00 0.00 C ATOM 1427 CD ARG A 79 7.415 19.172 4.885 1.00 0.00 C ATOM 1428 NE ARG A 79 8.422 20.210 4.680 1.00 0.00 N ATOM 1429 CZ ARG A 79 9.555 20.292 5.373 1.00 0.00 C ATOM 1430 NH1 ARG A 79 9.829 19.400 6.318 1.00 0.00 N ATOM 1431 NH2 ARG A 79 10.417 21.267 5.121 1.00 0.00 N ATOM 0 H ARG A 79 3.649 18.275 5.673 1.00 0.00 H new ATOM 0 HA ARG A 79 4.434 20.277 7.682 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.012 20.003 4.702 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.577 21.326 5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.118 19.998 6.845 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.229 18.517 6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.909 18.209 5.013 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.789 19.094 3.996 1.00 0.00 H new ATOM 0 HE ARG A 79 8.246 20.914 3.963 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.169 18.647 6.516 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.699 19.468 6.846 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.212 21.954 4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.285 21.330 5.652 1.00 0.00 H new ATOM 1445 N GLU A 80 1.981 20.506 5.601 1.00 0.00 N ATOM 1446 CA GLU A 80 0.841 21.322 5.183 1.00 0.00 C ATOM 1447 C GLU A 80 0.277 22.123 6.353 1.00 0.00 C ATOM 1448 O GLU A 80 0.251 23.352 6.321 1.00 0.00 O ATOM 1449 CB GLU A 80 -0.250 20.436 4.583 1.00 0.00 C ATOM 1450 CG GLU A 80 -1.308 21.208 3.811 1.00 0.00 C ATOM 1451 CD GLU A 80 -2.698 20.626 3.981 1.00 0.00 C ATOM 1452 OE1 GLU A 80 -2.809 19.491 4.492 1.00 0.00 O ATOM 1453 OE2 GLU A 80 -3.676 21.305 3.603 1.00 0.00 O ATOM 0 H GLU A 80 1.923 19.526 5.323 1.00 0.00 H new ATOM 0 HA GLU A 80 1.190 22.025 4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.212 19.706 3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.733 19.877 5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.310 22.246 4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.048 21.213 2.753 1.00 0.00 H new ATOM 1460 N ASP A 81 -0.177 21.416 7.385 1.00 0.00 N ATOM 1461 CA ASP A 81 -0.742 22.059 8.569 1.00 0.00 C ATOM 1462 C ASP A 81 -2.082 22.715 8.245 1.00 0.00 C ATOM 1463 O ASP A 81 -3.129 22.281 8.727 1.00 0.00 O ATOM 1464 CB ASP A 81 0.228 23.102 9.128 1.00 0.00 C ATOM 1465 CG ASP A 81 -0.147 23.549 10.529 1.00 0.00 C ATOM 1466 OD1 ASP A 81 -1.260 24.090 10.700 1.00 0.00 O ATOM 1467 OD2 ASP A 81 0.671 23.358 11.452 1.00 0.00 O ATOM 0 H ASP A 81 -0.165 20.397 7.425 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.906 21.289 9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.236 22.687 9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.247 23.968 8.466 1.00 0.00 H new ATOM 1472 N HIS A 82 -2.043 23.763 7.427 1.00 0.00 N ATOM 1473 CA HIS A 82 -3.254 24.476 7.041 1.00 0.00 C ATOM 1474 C HIS A 82 -3.835 23.906 5.749 1.00 0.00 C ATOM 1475 O HIS A 82 -3.112 23.329 4.936 1.00 0.00 O ATOM 1476 CB HIS A 82 -2.959 25.967 6.867 1.00 0.00 C ATOM 1477 CG HIS A 82 -1.987 26.261 5.766 1.00 0.00 C ATOM 1478 ND1 HIS A 82 -2.364 26.785 4.548 1.00 0.00 N ATOM 1479 CD2 HIS A 82 -0.642 26.103 5.705 1.00 0.00 C ATOM 1480 CE1 HIS A 82 -1.296 26.935 3.785 1.00 0.00 C ATOM 1481 NE2 HIS A 82 -0.240 26.528 4.465 1.00 0.00 N ATOM 0 H HIS A 82 -1.186 24.136 7.019 1.00 0.00 H new ATOM 0 HA HIS A 82 -3.989 24.348 7.835 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.893 26.493 6.666 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.565 26.363 7.803 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.006 25.715 6.487 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -1.288 27.324 2.778 1.00 0.00 H new ATOM 0 HE2 HIS A 82 0.721 26.530 4.123 1.00 0.00 H new ATOM 1490 N PRO A 83 -5.154 24.060 5.544 1.00 0.00 N ATOM 1491 CA PRO A 83 -5.830 23.558 4.344 1.00 0.00 C ATOM 1492 C PRO A 83 -5.463 24.353 3.095 1.00 0.00 C ATOM 1493 O PRO A 83 -5.129 25.535 3.175 1.00 0.00 O ATOM 1494 CB PRO A 83 -7.315 23.735 4.672 1.00 0.00 C ATOM 1495 CG PRO A 83 -7.352 24.852 5.656 1.00 0.00 C ATOM 1496 CD PRO A 83 -6.088 24.737 6.464 1.00 0.00 C ATOM 0 HA PRO A 83 -5.548 22.529 4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.892 23.974 3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.740 22.823 5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.405 25.816 5.150 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.232 24.779 6.296 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.715 25.715 6.767 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.245 24.159 7.375 1.00 0.00 H new ATOM 1504 N ASP A 84 -5.525 23.695 1.941 1.00 0.00 N ATOM 1505 CA ASP A 84 -5.198 24.341 0.675 1.00 0.00 C ATOM 1506 C ASP A 84 -5.430 23.390 -0.496 1.00 0.00 C ATOM 1507 O ASP A 84 -4.574 23.245 -1.371 1.00 0.00 O ATOM 1508 CB ASP A 84 -3.745 24.818 0.683 1.00 0.00 C ATOM 1509 CG ASP A 84 -3.391 25.611 -0.561 1.00 0.00 C ATOM 1510 OD1 ASP A 84 -3.699 26.819 -0.603 1.00 0.00 O ATOM 1511 OD2 ASP A 84 -2.804 25.021 -1.492 1.00 0.00 O ATOM 0 H ASP A 84 -5.798 22.716 1.857 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.854 25.203 0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.572 25.435 1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.083 23.956 0.762 1.00 0.00 H new ATOM 1516 N LEU A 85 -6.590 22.743 -0.506 1.00 0.00 N ATOM 1517 CA LEU A 85 -6.933 21.807 -1.569 1.00 0.00 C ATOM 1518 C LEU A 85 -8.432 21.522 -1.580 1.00 0.00 C ATOM 1519 O LEU A 85 -8.958 20.876 -0.673 1.00 0.00 O ATOM 1520 CB LEU A 85 -6.155 20.501 -1.397 1.00 0.00 C ATOM 1521 CG LEU A 85 -5.934 19.703 -2.685 1.00 0.00 C ATOM 1522 CD1 LEU A 85 -4.569 19.035 -2.671 1.00 0.00 C ATOM 1523 CD2 LEU A 85 -7.035 18.670 -2.865 1.00 0.00 C ATOM 0 H LEU A 85 -7.308 22.850 0.210 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.661 22.261 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.184 20.730 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.686 19.871 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.968 20.392 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.430 18.472 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.793 19.796 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.504 18.357 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.863 18.111 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.032 17.984 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.000 19.173 -2.921 1.00 0.00 H new ATOM 1535 N ILE A 86 -9.116 22.007 -2.612 1.00 0.00 N ATOM 1536 CA ILE A 86 -10.552 21.804 -2.742 1.00 0.00 C ATOM 1537 C ILE A 86 -10.873 20.858 -3.896 1.00 0.00 C ATOM 1538 O ILE A 86 -11.855 20.119 -3.851 1.00 0.00 O ATOM 1539 CB ILE A 86 -11.292 23.141 -2.959 1.00 0.00 C ATOM 1540 CG1 ILE A 86 -12.806 22.919 -2.963 1.00 0.00 C ATOM 1541 CG2 ILE A 86 -10.842 23.797 -4.256 1.00 0.00 C ATOM 1542 CD1 ILE A 86 -13.582 24.024 -2.279 1.00 0.00 C ATOM 0 H ILE A 86 -8.696 22.544 -3.371 1.00 0.00 H new ATOM 0 HA ILE A 86 -10.895 21.358 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.045 23.810 -2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -13.149 22.830 -3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -13.027 21.972 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -11.375 24.738 -4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.770 23.990 -4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -11.058 23.134 -5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -14.648 23.799 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -13.267 24.099 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.391 24.970 -2.785 1.00 0.00 H new ATOM 1554 N GLN A 87 -10.036 20.888 -4.927 1.00 0.00 N ATOM 1555 CA GLN A 87 -10.230 20.034 -6.093 1.00 0.00 C ATOM 1556 C GLN A 87 -9.570 18.675 -5.887 1.00 0.00 C ATOM 1557 O GLN A 87 -8.846 18.467 -4.914 1.00 0.00 O ATOM 1558 CB GLN A 87 -9.662 20.706 -7.345 1.00 0.00 C ATOM 1559 CG GLN A 87 -8.154 20.903 -7.300 1.00 0.00 C ATOM 1560 CD GLN A 87 -7.683 22.008 -8.223 1.00 0.00 C ATOM 1561 OE1 GLN A 87 -7.468 23.142 -7.795 1.00 0.00 O ATOM 1562 NE2 GLN A 87 -7.519 21.682 -9.501 1.00 0.00 N ATOM 0 H GLN A 87 -9.217 21.494 -4.979 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.301 19.881 -6.226 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -9.915 20.103 -8.217 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.143 21.675 -7.477 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.852 21.134 -6.279 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.661 19.970 -7.575 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.709 20.730 -9.813 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -7.203 22.384 -10.170 1.00 0.00 H new ATOM 1571 N ASN A 88 -9.826 17.751 -6.808 1.00 0.00 N ATOM 1572 CA ASN A 88 -9.255 16.412 -6.727 1.00 0.00 C ATOM 1573 C ASN A 88 -9.492 15.642 -8.022 1.00 0.00 C ATOM 1574 O ASN A 88 -10.405 14.820 -8.109 1.00 0.00 O ATOM 1575 CB ASN A 88 -9.861 15.649 -5.547 1.00 0.00 C ATOM 1576 CG ASN A 88 -9.149 14.336 -5.281 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -8.292 14.248 -4.403 1.00 0.00 O ATOM 1578 ND2 ASN A 88 -9.504 13.307 -6.041 1.00 0.00 N ATOM 0 H ASN A 88 -10.425 17.906 -7.619 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.180 16.509 -6.575 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.816 16.271 -4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.915 15.454 -5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.061 12.398 -5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.220 13.425 -6.758 1.00 0.00 H new ATOM 1585 N ALA A 89 -8.665 15.913 -9.026 1.00 0.00 N ATOM 1586 CA ALA A 89 -8.785 15.246 -10.316 1.00 0.00 C ATOM 1587 C ALA A 89 -8.262 13.815 -10.245 1.00 0.00 C ATOM 1588 O ALA A 89 -7.614 13.428 -9.271 1.00 0.00 O ATOM 1589 CB ALA A 89 -8.041 16.032 -11.386 1.00 0.00 C ATOM 0 H ALA A 89 -7.904 16.590 -8.971 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.842 15.204 -10.580 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.138 15.523 -12.345 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.464 17.034 -11.462 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.987 16.103 -11.118 1.00 0.00 H new ATOM 1595 N LYS A 90 -8.544 13.035 -11.283 1.00 0.00 N ATOM 1596 CA LYS A 90 -8.101 11.646 -11.338 1.00 0.00 C ATOM 1597 C LYS A 90 -7.620 11.284 -12.740 1.00 0.00 C ATOM 1598 O LYS A 90 -8.398 10.816 -13.571 1.00 0.00 O ATOM 1599 CB LYS A 90 -9.234 10.709 -10.916 1.00 0.00 C ATOM 1600 CG LYS A 90 -10.575 11.052 -11.548 1.00 0.00 C ATOM 1601 CD LYS A 90 -11.584 11.518 -10.508 1.00 0.00 C ATOM 1602 CE LYS A 90 -12.945 10.876 -10.722 1.00 0.00 C ATOM 1603 NZ LYS A 90 -13.886 11.788 -11.428 1.00 0.00 N ATOM 0 H LYS A 90 -9.077 13.340 -12.097 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.267 11.529 -10.646 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.967 9.686 -11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.335 10.740 -9.831 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.436 11.833 -12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.966 10.178 -12.069 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.219 11.274 -9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.681 12.603 -10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.827 9.959 -11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.368 10.593 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.802 11.312 -11.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.019 12.652 -10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.495 12.038 -12.359 1.00 0.00 H new ATOM 1617 N LYS A 91 -6.335 11.504 -12.994 1.00 0.00 N ATOM 1618 CA LYS A 91 -5.750 11.201 -14.295 1.00 0.00 C ATOM 1619 C LYS A 91 -5.649 9.694 -14.507 1.00 0.00 C ATOM 1620 O LYS A 91 -4.885 9.273 -15.401 1.00 0.00 O ATOM 1621 CB LYS A 91 -4.365 11.839 -14.417 1.00 0.00 C ATOM 1622 CG LYS A 91 -3.936 12.093 -15.852 1.00 0.00 C ATOM 1623 CD LYS A 91 -2.536 12.681 -15.920 1.00 0.00 C ATOM 1624 CE LYS A 91 -1.488 11.677 -15.466 1.00 0.00 C ATOM 1625 NZ LYS A 91 -0.240 11.774 -16.274 1.00 0.00 N ATOM 0 H LYS A 91 -5.678 11.891 -12.316 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.402 11.616 -15.064 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.360 12.783 -13.873 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.632 11.191 -13.937 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.967 11.159 -16.413 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.641 12.774 -16.328 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.322 12.996 -16.941 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.483 13.572 -15.294 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.254 11.846 -14.415 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.894 10.668 -15.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.449 11.074 -15.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.458 11.588 -17.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.161 12.729 -16.180 1.00 0.00 H new TER 1639 LYS A 91