USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 765 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 1 MET N :NH3+ -173:sc= 0 (180deg=-0.007) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 156:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 SER OG : rot 180:sc= 0.0269 USER MOD Set 2.2: A 32 TYR OH : rot -34:sc= -0.161 USER MOD Set 2.3: A 53 LYS NZ :NH3+ -121:sc= -0.0933 (180deg=-0.866!) USER MOD Set 3.1: A 22 ASN : amide:sc= -3.54! C(o=-9.8!,f=-18!) USER MOD Set 3.2: A 67 HIS : no HE2:sc= -6.3! C(o=-9.8!,f=-12!) USER MOD Single : A 1 MET CE :methyl -109:sc= -0.207 (180deg=-0.846) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc=-0.00603 (180deg=-0.0582) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -52:sc= -2.7! USER MOD Single : A 23 GLN : amide:sc= -0.555 X(o=-0.55,f=-0.42) USER MOD Single : A 24 HIS :FLIP no HE2:sc= -3.87! C(o=-6.4!,f=-3.9!) USER MOD Single : A 29 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.017) USER MOD Single : A 34 THR OG1 : rot 145:sc=0.000858 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.04 K(o=-1,f=-3.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.296 F(o=-0.89,f=-0.3) USER MOD Single : A 58 ASN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 25:sc= 0.166 USER MOD Single : A 66 THR OG1 : rot 95:sc= 0.391 USER MOD Single : A 72 THR OG1 : rot 75:sc= 1.15 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0407 X(o=-0.041,f=-0.041) USER MOD Single : A 77 THR OG1 : rot 38:sc= 0.259 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 40:sc= 0.0276 USER MOD Single : A 87 LYS NZ :NH3+ -122:sc= 0.00101 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 304 THR OG1 : rot 180:sc= 0 USER MOD Single : B 305 GLN : amide:sc= -0.809 X(o=-0.81,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.788 0.672 -8.801 1.00 1.83 N ATOM 2 CA MET A 1 -8.544 1.609 -7.669 1.00 1.38 C ATOM 3 C MET A 1 -7.074 2.022 -7.598 1.00 1.20 C ATOM 4 O MET A 1 -6.233 1.282 -7.081 1.00 1.07 O ATOM 5 CB MET A 1 -8.968 0.926 -6.364 1.00 1.81 C ATOM 6 CG MET A 1 -10.473 0.906 -6.146 1.00 2.04 C ATOM 7 SD MET A 1 -11.159 -0.760 -6.199 1.00 2.69 S ATOM 8 CE MET A 1 -12.105 -0.692 -7.719 1.00 3.17 C ATOM 0 H1 MET A 1 -9.810 0.503 -8.897 1.00 1.83 H new ATOM 0 H2 MET A 1 -8.421 1.088 -9.681 1.00 1.83 H new ATOM 0 H3 MET A 1 -8.304 -0.229 -8.616 1.00 1.83 H new ATOM 0 HA MET A 1 -9.131 2.514 -7.824 1.00 1.38 H new ATOM 0 HB2 MET A 1 -8.596 -0.099 -6.363 1.00 1.81 H new ATOM 0 HB3 MET A 1 -8.495 1.438 -5.526 1.00 1.81 H new ATOM 0 HG2 MET A 1 -10.703 1.359 -5.182 1.00 2.04 H new ATOM 0 HG3 MET A 1 -10.955 1.518 -6.908 1.00 2.04 H new ATOM 0 HE1 MET A 1 -13.170 -0.691 -7.485 1.00 3.17 H new ATOM 0 HE2 MET A 1 -11.853 0.217 -8.264 1.00 3.17 H new ATOM 0 HE3 MET A 1 -11.869 -1.561 -8.334 1.00 3.17 H new ATOM 20 N GLU A 2 -6.774 3.208 -8.125 1.00 1.25 N ATOM 21 CA GLU A 2 -5.410 3.731 -8.129 1.00 1.15 C ATOM 22 C GLU A 2 -5.377 5.169 -7.613 1.00 1.12 C ATOM 23 O GLU A 2 -6.394 5.866 -7.629 1.00 1.17 O ATOM 24 CB GLU A 2 -4.814 3.670 -9.540 1.00 1.22 C ATOM 25 CG GLU A 2 -5.658 4.364 -10.599 1.00 1.74 C ATOM 26 CD GLU A 2 -6.678 3.436 -11.235 1.00 1.63 C ATOM 27 OE1 GLU A 2 -6.277 2.589 -12.061 1.00 1.97 O ATOM 28 OE2 GLU A 2 -7.877 3.556 -10.907 1.00 1.88 O ATOM 0 H GLU A 2 -7.461 3.827 -8.556 1.00 1.25 H new ATOM 0 HA GLU A 2 -4.811 3.109 -7.465 1.00 1.15 H new ATOM 0 HB2 GLU A 2 -3.823 4.124 -9.525 1.00 1.22 H new ATOM 0 HB3 GLU A 2 -4.682 2.626 -9.823 1.00 1.22 H new ATOM 0 HG2 GLU A 2 -6.175 5.211 -10.148 1.00 1.74 H new ATOM 0 HG3 GLU A 2 -5.004 4.765 -11.374 1.00 1.74 H new ATOM 35 N ILE A 3 -4.201 5.612 -7.169 1.00 1.09 N ATOM 36 CA ILE A 3 -4.019 6.964 -6.662 1.00 1.10 C ATOM 37 C ILE A 3 -2.672 7.507 -7.135 1.00 1.02 C ATOM 38 O ILE A 3 -1.667 6.791 -7.097 1.00 1.07 O ATOM 39 CB ILE A 3 -4.062 6.999 -5.118 1.00 1.18 C ATOM 40 CG1 ILE A 3 -5.410 6.484 -4.602 1.00 1.34 C ATOM 41 CG2 ILE A 3 -3.798 8.406 -4.610 1.00 1.22 C ATOM 42 CD1 ILE A 3 -5.402 5.012 -4.245 1.00 1.10 C ATOM 0 H ILE A 3 -3.354 5.044 -7.152 1.00 1.09 H new ATOM 0 HA ILE A 3 -4.834 7.580 -7.043 1.00 1.10 H new ATOM 0 HB ILE A 3 -3.278 6.343 -4.739 1.00 1.18 H new ATOM 0 HG12 ILE A 3 -5.697 7.061 -3.723 1.00 1.34 H new ATOM 0 HG13 ILE A 3 -6.172 6.661 -5.362 1.00 1.34 H new ATOM 0 HG21 ILE A 3 -3.832 8.412 -3.521 1.00 1.22 H new ATOM 0 HG22 ILE A 3 -2.814 8.735 -4.944 1.00 1.22 H new ATOM 0 HG23 ILE A 3 -4.558 9.082 -5.000 1.00 1.22 H new ATOM 0 HD11 ILE A 3 -6.389 4.719 -3.888 1.00 1.10 H new ATOM 0 HD12 ILE A 3 -5.146 4.425 -5.127 1.00 1.10 H new ATOM 0 HD13 ILE A 3 -4.665 4.831 -3.463 1.00 1.10 H new ATOM 54 N LYS A 4 -2.642 8.764 -7.583 1.00 0.98 N ATOM 55 CA LYS A 4 -1.396 9.356 -8.056 1.00 0.96 C ATOM 56 C LYS A 4 -0.769 10.246 -6.985 1.00 0.96 C ATOM 57 O LYS A 4 -1.069 11.438 -6.885 1.00 1.08 O ATOM 58 CB LYS A 4 -1.642 10.154 -9.342 1.00 1.07 C ATOM 59 CG LYS A 4 -1.462 9.332 -10.611 1.00 1.35 C ATOM 60 CD LYS A 4 0.000 9.247 -11.024 1.00 1.59 C ATOM 61 CE LYS A 4 0.749 8.188 -10.227 1.00 2.29 C ATOM 62 NZ LYS A 4 2.055 7.838 -10.852 1.00 2.93 N ATOM 0 H LYS A 4 -3.454 9.380 -7.627 1.00 0.98 H new ATOM 0 HA LYS A 4 -0.696 8.549 -8.272 1.00 0.96 H new ATOM 0 HB2 LYS A 4 -2.654 10.558 -9.321 1.00 1.07 H new ATOM 0 HB3 LYS A 4 -0.960 11.004 -9.369 1.00 1.07 H new ATOM 0 HG2 LYS A 4 -1.854 8.327 -10.453 1.00 1.35 H new ATOM 0 HG3 LYS A 4 -2.043 9.777 -11.419 1.00 1.35 H new ATOM 0 HD2 LYS A 4 0.065 9.016 -12.087 1.00 1.59 H new ATOM 0 HD3 LYS A 4 0.476 10.217 -10.879 1.00 1.59 H new ATOM 0 HE2 LYS A 4 0.918 8.550 -9.213 1.00 2.29 H new ATOM 0 HE3 LYS A 4 0.134 7.292 -10.147 1.00 2.29 H new ATOM 0 HZ1 LYS A 4 2.569 7.178 -10.235 1.00 2.93 H new ATOM 0 HZ2 LYS A 4 1.889 7.390 -11.776 1.00 2.93 H new ATOM 0 HZ3 LYS A 4 2.620 8.701 -10.982 1.00 2.93 H new ATOM 76 N LEU A 5 0.095 9.637 -6.175 1.00 0.89 N ATOM 77 CA LEU A 5 0.766 10.346 -5.089 1.00 0.97 C ATOM 78 C LEU A 5 2.086 10.956 -5.553 1.00 0.88 C ATOM 79 O LEU A 5 2.952 10.261 -6.086 1.00 0.82 O ATOM 80 CB LEU A 5 1.005 9.405 -3.903 1.00 1.11 C ATOM 81 CG LEU A 5 -0.112 9.387 -2.856 1.00 1.42 C ATOM 82 CD1 LEU A 5 0.000 8.149 -1.978 1.00 1.50 C ATOM 83 CD2 LEU A 5 -0.072 10.651 -2.009 1.00 2.09 C ATOM 0 H LEU A 5 0.347 8.652 -6.251 1.00 0.89 H new ATOM 0 HA LEU A 5 0.114 11.159 -4.771 1.00 0.97 H new ATOM 0 HB2 LEU A 5 1.142 8.393 -4.284 1.00 1.11 H new ATOM 0 HB3 LEU A 5 1.936 9.691 -3.414 1.00 1.11 H new ATOM 0 HG LEU A 5 -1.070 9.354 -3.375 1.00 1.42 H new ATOM 0 HD11 LEU A 5 -0.802 8.153 -1.240 1.00 1.50 H new ATOM 0 HD12 LEU A 5 -0.081 7.255 -2.597 1.00 1.50 H new ATOM 0 HD13 LEU A 5 0.963 8.151 -1.468 1.00 1.50 H new ATOM 0 HD21 LEU A 5 -0.873 10.620 -1.271 1.00 2.09 H new ATOM 0 HD22 LEU A 5 0.889 10.717 -1.499 1.00 2.09 H new ATOM 0 HD23 LEU A 5 -0.203 11.523 -2.650 1.00 2.09 H new ATOM 95 N ILE A 6 2.230 12.266 -5.341 1.00 0.95 N ATOM 96 CA ILE A 6 3.443 12.981 -5.729 1.00 0.90 C ATOM 97 C ILE A 6 4.462 12.973 -4.586 1.00 0.93 C ATOM 98 O ILE A 6 4.137 13.331 -3.452 1.00 1.06 O ATOM 99 CB ILE A 6 3.143 14.441 -6.144 1.00 1.04 C ATOM 100 CG1 ILE A 6 4.405 15.107 -6.703 1.00 1.29 C ATOM 101 CG2 ILE A 6 2.587 15.241 -4.970 1.00 1.21 C ATOM 102 CD1 ILE A 6 4.161 16.484 -7.286 1.00 1.94 C ATOM 0 H ILE A 6 1.520 12.852 -4.902 1.00 0.95 H new ATOM 0 HA ILE A 6 3.859 12.461 -6.592 1.00 0.90 H new ATOM 0 HB ILE A 6 2.384 14.423 -6.926 1.00 1.04 H new ATOM 0 HG12 ILE A 6 5.146 15.185 -5.908 1.00 1.29 H new ATOM 0 HG13 ILE A 6 4.832 14.466 -7.475 1.00 1.29 H new ATOM 0 HG21 ILE A 6 2.385 16.263 -5.290 1.00 1.21 H new ATOM 0 HG22 ILE A 6 1.663 14.781 -4.621 1.00 1.21 H new ATOM 0 HG23 ILE A 6 3.316 15.251 -4.159 1.00 1.21 H new ATOM 0 HD11 ILE A 6 5.100 16.892 -7.661 1.00 1.94 H new ATOM 0 HD12 ILE A 6 3.444 16.411 -8.104 1.00 1.94 H new ATOM 0 HD13 ILE A 6 3.764 17.141 -6.513 1.00 1.94 H new ATOM 114 N LYS A 7 5.692 12.555 -4.892 1.00 0.91 N ATOM 115 CA LYS A 7 6.758 12.493 -3.892 1.00 1.06 C ATOM 116 C LYS A 7 7.015 13.867 -3.272 1.00 1.18 C ATOM 117 O LYS A 7 7.481 14.787 -3.948 1.00 1.29 O ATOM 118 CB LYS A 7 8.048 11.951 -4.515 1.00 1.26 C ATOM 119 CG LYS A 7 9.132 11.631 -3.498 1.00 1.78 C ATOM 120 CD LYS A 7 8.913 10.270 -2.855 1.00 2.30 C ATOM 121 CE LYS A 7 9.134 10.317 -1.352 1.00 2.50 C ATOM 122 NZ LYS A 7 10.573 10.178 -0.993 1.00 3.10 N ATOM 0 H LYS A 7 5.974 12.254 -5.825 1.00 0.91 H new ATOM 0 HA LYS A 7 6.433 11.816 -3.102 1.00 1.06 H new ATOM 0 HB2 LYS A 7 7.816 11.049 -5.081 1.00 1.26 H new ATOM 0 HB3 LYS A 7 8.433 12.683 -5.225 1.00 1.26 H new ATOM 0 HG2 LYS A 7 10.107 11.651 -3.986 1.00 1.78 H new ATOM 0 HG3 LYS A 7 9.146 12.401 -2.726 1.00 1.78 H new ATOM 0 HD2 LYS A 7 7.899 9.928 -3.063 1.00 2.30 H new ATOM 0 HD3 LYS A 7 9.593 9.543 -3.300 1.00 2.30 H new ATOM 0 HE2 LYS A 7 8.752 11.259 -0.959 1.00 2.50 H new ATOM 0 HE3 LYS A 7 8.563 9.519 -0.877 1.00 2.50 H new ATOM 0 HZ1 LYS A 7 10.678 10.215 0.041 1.00 3.10 H new ATOM 0 HZ2 LYS A 7 10.932 9.268 -1.345 1.00 3.10 H new ATOM 0 HZ3 LYS A 7 11.115 10.954 -1.424 1.00 3.10 H new ATOM 136 N GLY A 8 6.706 13.994 -1.981 1.00 1.38 N ATOM 137 CA GLY A 8 6.907 15.253 -1.282 1.00 1.62 C ATOM 138 C GLY A 8 8.219 15.296 -0.516 1.00 1.78 C ATOM 139 O GLY A 8 8.994 14.338 -0.556 1.00 1.78 O ATOM 0 H GLY A 8 6.319 13.245 -1.407 1.00 1.38 H new ATOM 0 HA2 GLY A 8 6.884 16.071 -2.002 1.00 1.62 H new ATOM 0 HA3 GLY A 8 6.081 15.415 -0.589 1.00 1.62 H new ATOM 143 N PRO A 9 8.502 16.411 0.189 1.00 2.05 N ATOM 144 CA PRO A 9 9.736 16.586 0.964 1.00 2.32 C ATOM 145 C PRO A 9 9.686 15.886 2.330 1.00 2.37 C ATOM 146 O PRO A 9 10.015 16.485 3.356 1.00 2.77 O ATOM 147 CB PRO A 9 9.831 18.116 1.145 1.00 2.68 C ATOM 148 CG PRO A 9 8.674 18.696 0.389 1.00 2.59 C ATOM 149 CD PRO A 9 7.656 17.601 0.283 1.00 2.24 C ATOM 0 HA PRO A 9 10.595 16.146 0.458 1.00 2.32 H new ATOM 0 HB2 PRO A 9 9.783 18.388 2.200 1.00 2.68 H new ATOM 0 HB3 PRO A 9 10.778 18.496 0.761 1.00 2.68 H new ATOM 0 HG2 PRO A 9 8.263 19.561 0.909 1.00 2.59 H new ATOM 0 HG3 PRO A 9 8.985 19.036 -0.599 1.00 2.59 H new ATOM 0 HD2 PRO A 9 7.000 17.568 1.153 1.00 2.24 H new ATOM 0 HD3 PRO A 9 7.019 17.719 -0.593 1.00 2.24 H new ATOM 157 N LYS A 10 9.273 14.616 2.337 1.00 2.38 N ATOM 158 CA LYS A 10 9.182 13.843 3.574 1.00 2.57 C ATOM 159 C LYS A 10 9.193 12.342 3.282 1.00 2.26 C ATOM 160 O LYS A 10 10.087 11.622 3.728 1.00 2.45 O ATOM 161 CB LYS A 10 7.910 14.220 4.342 1.00 2.99 C ATOM 162 CG LYS A 10 7.942 13.833 5.813 1.00 3.71 C ATOM 163 CD LYS A 10 6.836 14.525 6.595 1.00 4.04 C ATOM 164 CE LYS A 10 6.330 13.657 7.739 1.00 4.40 C ATOM 165 NZ LYS A 10 6.786 14.161 9.065 1.00 4.92 N ATOM 0 H LYS A 10 8.997 14.103 1.500 1.00 2.38 H new ATOM 0 HA LYS A 10 10.051 14.079 4.187 1.00 2.57 H new ATOM 0 HB2 LYS A 10 7.755 15.296 4.263 1.00 2.99 H new ATOM 0 HB3 LYS A 10 7.055 13.738 3.868 1.00 2.99 H new ATOM 0 HG2 LYS A 10 7.835 12.752 5.909 1.00 3.71 H new ATOM 0 HG3 LYS A 10 8.910 14.097 6.239 1.00 3.71 H new ATOM 0 HD2 LYS A 10 7.207 15.470 6.991 1.00 4.04 H new ATOM 0 HD3 LYS A 10 6.010 14.762 5.925 1.00 4.04 H new ATOM 0 HE2 LYS A 10 5.241 13.627 7.717 1.00 4.40 H new ATOM 0 HE3 LYS A 10 6.680 12.634 7.600 1.00 4.40 H new ATOM 0 HZ1 LYS A 10 6.420 13.542 9.816 1.00 4.92 H new ATOM 0 HZ2 LYS A 10 7.826 14.165 9.096 1.00 4.92 H new ATOM 0 HZ3 LYS A 10 6.431 15.128 9.210 1.00 4.92 H new ATOM 179 N GLY A 11 8.190 11.880 2.532 1.00 2.10 N ATOM 180 CA GLY A 11 8.092 10.470 2.191 1.00 2.10 C ATOM 181 C GLY A 11 6.651 10.003 2.102 1.00 2.08 C ATOM 182 O GLY A 11 5.789 10.730 1.606 1.00 2.30 O ATOM 0 H GLY A 11 7.442 12.462 2.154 1.00 2.10 H new ATOM 0 HA2 GLY A 11 8.590 10.293 1.238 1.00 2.10 H new ATOM 0 HA3 GLY A 11 8.619 9.879 2.940 1.00 2.10 H new ATOM 186 N LEU A 12 6.384 8.793 2.594 1.00 2.47 N ATOM 187 CA LEU A 12 5.032 8.239 2.581 1.00 2.77 C ATOM 188 C LEU A 12 4.267 8.667 3.835 1.00 1.92 C ATOM 189 O LEU A 12 3.140 9.150 3.750 1.00 2.52 O ATOM 190 CB LEU A 12 5.083 6.713 2.486 1.00 3.62 C ATOM 191 CG LEU A 12 5.637 6.163 1.169 1.00 4.87 C ATOM 192 CD1 LEU A 12 6.214 4.769 1.374 1.00 5.33 C ATOM 193 CD2 LEU A 12 4.555 6.144 0.098 1.00 5.70 C ATOM 0 H LEU A 12 7.086 8.179 3.006 1.00 2.47 H new ATOM 0 HA LEU A 12 4.509 8.625 1.706 1.00 2.77 H new ATOM 0 HB2 LEU A 12 5.693 6.334 3.306 1.00 3.62 H new ATOM 0 HB3 LEU A 12 4.076 6.321 2.630 1.00 3.62 H new ATOM 0 HG LEU A 12 6.439 6.820 0.832 1.00 4.87 H new ATOM 0 HD11 LEU A 12 6.603 4.394 0.428 1.00 5.33 H new ATOM 0 HD12 LEU A 12 7.020 4.813 2.106 1.00 5.33 H new ATOM 0 HD13 LEU A 12 5.432 4.101 1.735 1.00 5.33 H new ATOM 0 HD21 LEU A 12 4.969 5.750 -0.830 1.00 5.70 H new ATOM 0 HD22 LEU A 12 3.730 5.511 0.425 1.00 5.70 H new ATOM 0 HD23 LEU A 12 4.190 7.158 -0.069 1.00 5.70 H new ATOM 205 N GLY A 13 4.897 8.483 4.997 1.00 1.13 N ATOM 206 CA GLY A 13 4.281 8.855 6.261 1.00 1.11 C ATOM 207 C GLY A 13 3.228 7.873 6.733 1.00 0.96 C ATOM 208 O GLY A 13 2.188 8.280 7.242 1.00 1.03 O ATOM 0 H GLY A 13 5.830 8.080 5.083 1.00 1.13 H new ATOM 0 HA2 GLY A 13 5.056 8.938 7.023 1.00 1.11 H new ATOM 0 HA3 GLY A 13 3.827 9.841 6.159 1.00 1.11 H new ATOM 212 N PHE A 14 3.501 6.579 6.572 1.00 0.81 N ATOM 213 CA PHE A 14 2.576 5.532 7.005 1.00 0.71 C ATOM 214 C PHE A 14 3.311 4.197 7.135 1.00 0.56 C ATOM 215 O PHE A 14 4.532 4.142 6.986 1.00 0.52 O ATOM 216 CB PHE A 14 1.363 5.423 6.065 1.00 0.74 C ATOM 217 CG PHE A 14 1.681 5.110 4.628 1.00 0.63 C ATOM 218 CD1 PHE A 14 2.089 3.840 4.253 1.00 1.27 C ATOM 219 CD2 PHE A 14 1.545 6.083 3.649 1.00 1.41 C ATOM 220 CE1 PHE A 14 2.359 3.547 2.931 1.00 1.33 C ATOM 221 CE2 PHE A 14 1.811 5.794 2.325 1.00 1.46 C ATOM 222 CZ PHE A 14 2.218 4.525 1.965 1.00 0.83 C ATOM 0 H PHE A 14 4.358 6.230 6.143 1.00 0.81 H new ATOM 0 HA PHE A 14 2.188 5.804 7.987 1.00 0.71 H new ATOM 0 HB2 PHE A 14 0.697 4.650 6.448 1.00 0.74 H new ATOM 0 HB3 PHE A 14 0.813 6.363 6.100 1.00 0.74 H new ATOM 0 HD1 PHE A 14 2.197 3.071 5.003 1.00 1.27 H new ATOM 0 HD2 PHE A 14 1.228 7.078 3.925 1.00 1.41 H new ATOM 0 HE1 PHE A 14 2.680 2.554 2.652 1.00 1.33 H new ATOM 0 HE2 PHE A 14 1.701 6.560 1.572 1.00 1.46 H new ATOM 0 HZ PHE A 14 2.426 4.297 0.930 1.00 0.83 H new ATOM 232 N SER A 15 2.574 3.122 7.410 1.00 0.55 N ATOM 233 CA SER A 15 3.167 1.798 7.551 1.00 0.47 C ATOM 234 C SER A 15 2.411 0.792 6.690 1.00 0.47 C ATOM 235 O SER A 15 1.348 1.105 6.153 1.00 0.52 O ATOM 236 CB SER A 15 3.158 1.352 9.016 1.00 0.50 C ATOM 237 OG SER A 15 2.069 1.916 9.716 1.00 0.57 O ATOM 0 H SER A 15 1.563 3.145 7.539 1.00 0.55 H new ATOM 0 HA SER A 15 4.203 1.847 7.214 1.00 0.47 H new ATOM 0 HB2 SER A 15 3.102 0.265 9.067 1.00 0.50 H new ATOM 0 HB3 SER A 15 4.092 1.646 9.494 1.00 0.50 H new ATOM 0 HG SER A 15 2.058 2.886 9.577 1.00 0.57 H new ATOM 243 N ILE A 16 2.956 -0.416 6.562 1.00 0.44 N ATOM 244 CA ILE A 16 2.318 -1.459 5.762 1.00 0.46 C ATOM 245 C ILE A 16 2.764 -2.851 6.196 1.00 0.46 C ATOM 246 O ILE A 16 3.709 -3.006 6.965 1.00 0.45 O ATOM 247 CB ILE A 16 2.625 -1.316 4.241 1.00 0.47 C ATOM 248 CG1 ILE A 16 3.936 -2.019 3.852 1.00 0.67 C ATOM 249 CG2 ILE A 16 2.650 0.144 3.805 1.00 0.57 C ATOM 250 CD1 ILE A 16 5.177 -1.320 4.344 1.00 0.64 C ATOM 0 H ILE A 16 3.834 -0.696 7.000 1.00 0.44 H new ATOM 0 HA ILE A 16 1.248 -1.335 5.928 1.00 0.46 H new ATOM 0 HB ILE A 16 1.811 -1.811 3.712 1.00 0.47 H new ATOM 0 HG12 ILE A 16 3.923 -3.035 4.248 1.00 0.67 H new ATOM 0 HG13 ILE A 16 3.984 -2.101 2.766 1.00 0.67 H new ATOM 0 HG21 ILE A 16 2.867 0.202 2.738 1.00 0.57 H new ATOM 0 HG22 ILE A 16 1.680 0.599 4.003 1.00 0.57 H new ATOM 0 HG23 ILE A 16 3.421 0.677 4.362 1.00 0.57 H new ATOM 0 HD11 ILE A 16 6.058 -1.878 4.028 1.00 0.64 H new ATOM 0 HD12 ILE A 16 5.217 -0.313 3.928 1.00 0.64 H new ATOM 0 HD13 ILE A 16 5.155 -1.262 5.432 1.00 0.64 H new ATOM 262 N ALA A 17 2.086 -3.849 5.641 1.00 0.51 N ATOM 263 CA ALA A 17 2.387 -5.255 5.871 1.00 0.55 C ATOM 264 C ALA A 17 2.334 -5.955 4.516 1.00 0.73 C ATOM 265 O ALA A 17 1.842 -5.365 3.561 1.00 1.19 O ATOM 266 CB ALA A 17 1.405 -5.871 6.856 1.00 0.71 C ATOM 0 H ALA A 17 1.299 -3.700 5.009 1.00 0.51 H new ATOM 0 HA ALA A 17 3.376 -5.369 6.315 1.00 0.55 H new ATOM 0 HB1 ALA A 17 1.654 -6.921 7.009 1.00 0.71 H new ATOM 0 HB2 ALA A 17 1.464 -5.342 7.807 1.00 0.71 H new ATOM 0 HB3 ALA A 17 0.393 -5.792 6.459 1.00 0.71 H new ATOM 272 N GLY A 18 2.809 -7.193 4.409 1.00 0.60 N ATOM 273 CA GLY A 18 2.731 -7.858 3.115 1.00 0.77 C ATOM 274 C GLY A 18 3.567 -9.113 2.981 1.00 0.85 C ATOM 275 O GLY A 18 4.781 -9.053 3.140 1.00 1.29 O ATOM 0 H GLY A 18 3.232 -7.734 5.163 1.00 0.60 H new ATOM 0 HA2 GLY A 18 1.690 -8.112 2.918 1.00 0.77 H new ATOM 0 HA3 GLY A 18 3.038 -7.152 2.343 1.00 0.77 H new ATOM 279 N GLY A 19 2.943 -10.247 2.649 1.00 1.01 N ATOM 280 CA GLY A 19 3.705 -11.473 2.467 1.00 1.61 C ATOM 281 C GLY A 19 3.470 -12.496 3.556 1.00 0.89 C ATOM 282 O GLY A 19 3.044 -12.154 4.660 1.00 0.76 O ATOM 0 H GLY A 19 1.937 -10.336 2.505 1.00 1.01 H new ATOM 0 HA2 GLY A 19 3.446 -11.913 1.504 1.00 1.61 H new ATOM 0 HA3 GLY A 19 4.767 -11.230 2.431 1.00 1.61 H new ATOM 286 N VAL A 20 3.759 -13.761 3.241 1.00 0.97 N ATOM 287 CA VAL A 20 3.591 -14.849 4.200 1.00 1.05 C ATOM 288 C VAL A 20 4.547 -14.672 5.381 1.00 1.18 C ATOM 289 O VAL A 20 5.651 -14.143 5.221 1.00 1.35 O ATOM 290 CB VAL A 20 3.824 -16.234 3.553 1.00 1.68 C ATOM 291 CG1 VAL A 20 2.754 -16.525 2.510 1.00 1.76 C ATOM 292 CG2 VAL A 20 5.217 -16.325 2.941 1.00 2.72 C ATOM 0 H VAL A 20 4.110 -14.054 2.329 1.00 0.97 H new ATOM 0 HA VAL A 20 2.560 -14.809 4.551 1.00 1.05 H new ATOM 0 HB VAL A 20 3.753 -16.989 4.336 1.00 1.68 H new ATOM 0 HG11 VAL A 20 2.935 -17.504 2.066 1.00 1.76 H new ATOM 0 HG12 VAL A 20 1.772 -16.518 2.984 1.00 1.76 H new ATOM 0 HG13 VAL A 20 2.787 -15.762 1.732 1.00 1.76 H new ATOM 0 HG21 VAL A 20 5.354 -17.309 2.493 1.00 2.72 H new ATOM 0 HG22 VAL A 20 5.328 -15.559 2.174 1.00 2.72 H new ATOM 0 HG23 VAL A 20 5.966 -16.172 3.718 1.00 2.72 H new ATOM 302 N GLY A 21 4.114 -15.097 6.569 1.00 1.30 N ATOM 303 CA GLY A 21 4.943 -14.952 7.761 1.00 1.54 C ATOM 304 C GLY A 21 4.803 -13.576 8.406 1.00 1.24 C ATOM 305 O GLY A 21 5.112 -13.403 9.586 1.00 1.56 O ATOM 0 H GLY A 21 3.208 -15.538 6.728 1.00 1.30 H new ATOM 0 HA2 GLY A 21 4.669 -15.719 8.486 1.00 1.54 H new ATOM 0 HA3 GLY A 21 5.987 -15.121 7.497 1.00 1.54 H new ATOM 309 N ASN A 22 4.314 -12.605 7.629 1.00 0.73 N ATOM 310 CA ASN A 22 4.098 -11.242 8.106 1.00 0.61 C ATOM 311 C ASN A 22 2.723 -10.728 7.646 1.00 0.65 C ATOM 312 O ASN A 22 2.468 -9.521 7.664 1.00 0.67 O ATOM 313 CB ASN A 22 5.205 -10.307 7.582 1.00 0.47 C ATOM 314 CG ASN A 22 5.056 -10.002 6.108 1.00 0.74 C ATOM 315 OD1 ASN A 22 4.425 -9.015 5.735 1.00 1.27 O ATOM 316 ND2 ASN A 22 5.639 -10.845 5.262 1.00 1.63 N ATOM 0 H ASN A 22 4.058 -12.745 6.652 1.00 0.73 H new ATOM 0 HA ASN A 22 4.129 -11.250 9.196 1.00 0.61 H new ATOM 0 HB2 ASN A 22 5.186 -9.375 8.146 1.00 0.47 H new ATOM 0 HB3 ASN A 22 6.178 -10.766 7.758 1.00 0.47 H new ATOM 0 HD21 ASN A 22 5.573 -10.686 4.257 1.00 1.63 H new ATOM 0 HD22 ASN A 22 6.152 -11.651 5.618 1.00 1.63 H new ATOM 323 N GLN A 23 1.851 -11.652 7.208 1.00 0.77 N ATOM 324 CA GLN A 23 0.516 -11.317 6.707 1.00 0.94 C ATOM 325 C GLN A 23 -0.220 -10.306 7.588 1.00 0.88 C ATOM 326 O GLN A 23 -0.216 -10.413 8.816 1.00 0.87 O ATOM 327 CB GLN A 23 -0.329 -12.588 6.584 1.00 1.19 C ATOM 328 CG GLN A 23 0.063 -13.473 5.412 1.00 1.42 C ATOM 329 CD GLN A 23 -0.683 -14.795 5.402 1.00 1.55 C ATOM 330 OE1 GLN A 23 -1.913 -14.826 5.340 1.00 1.62 O ATOM 331 NE2 GLN A 23 0.058 -15.897 5.461 1.00 2.34 N ATOM 0 H GLN A 23 2.056 -12.651 7.193 1.00 0.77 H new ATOM 0 HA GLN A 23 0.658 -10.853 5.731 1.00 0.94 H new ATOM 0 HB2 GLN A 23 -0.241 -13.162 7.506 1.00 1.19 H new ATOM 0 HB3 GLN A 23 -1.377 -12.308 6.481 1.00 1.19 H new ATOM 0 HG2 GLN A 23 -0.133 -12.943 4.480 1.00 1.42 H new ATOM 0 HG3 GLN A 23 1.135 -13.666 5.450 1.00 1.42 H new ATOM 0 HE21 GLN A 23 1.074 -15.826 5.511 1.00 2.34 H new ATOM 0 HE22 GLN A 23 -0.390 -16.813 5.456 1.00 2.34 H new ATOM 340 N HIS A 24 -0.859 -9.333 6.937 1.00 0.86 N ATOM 341 CA HIS A 24 -1.619 -8.294 7.634 1.00 0.83 C ATOM 342 C HIS A 24 -3.075 -8.712 7.837 1.00 0.84 C ATOM 343 O HIS A 24 -3.744 -8.231 8.755 1.00 0.92 O ATOM 344 CB HIS A 24 -1.589 -6.991 6.833 1.00 0.85 C ATOM 345 CG HIS A 24 -2.158 -5.829 7.562 1.00 0.83 C ATOM 346 ND1 HIS A 24 -3.387 -5.278 7.507 1.00 0.90 N flip ATOM 347 CD2 HIS A 24 -1.438 -5.079 8.459 1.00 0.81 C flip ATOM 348 CE1 HIS A 24 -3.390 -4.208 8.364 1.00 0.88 C flip ATOM 349 NE2 HIS A 24 -2.198 -4.113 8.924 1.00 0.82 N flip ATOM 0 H HIS A 24 -0.865 -9.243 5.921 1.00 0.86 H new ATOM 0 HA HIS A 24 -1.154 -8.146 8.609 1.00 0.83 H new ATOM 0 HB2 HIS A 24 -0.558 -6.767 6.559 1.00 0.85 H new ATOM 0 HB3 HIS A 24 -2.142 -7.133 5.905 1.00 0.85 H new ATOM 0 HD1 HIS A 24 -4.169 -5.597 6.935 1.00 0.90 H new ATOM 0 HD2 HIS A 24 -0.410 -5.255 8.738 1.00 0.81 H new ATOM 0 HE1 HIS A 24 -4.228 -3.552 8.550 1.00 0.88 H new ATOM 358 N ILE A 25 -3.563 -9.599 6.971 1.00 0.80 N ATOM 359 CA ILE A 25 -4.937 -10.067 7.050 1.00 0.86 C ATOM 360 C ILE A 25 -5.055 -11.501 6.521 1.00 0.81 C ATOM 361 O ILE A 25 -4.511 -11.829 5.463 1.00 0.80 O ATOM 362 CB ILE A 25 -5.884 -9.103 6.282 1.00 0.95 C ATOM 363 CG1 ILE A 25 -7.014 -8.627 7.198 1.00 1.01 C ATOM 364 CG2 ILE A 25 -6.448 -9.736 5.016 1.00 1.51 C ATOM 365 CD1 ILE A 25 -7.561 -7.265 6.826 1.00 1.16 C ATOM 0 H ILE A 25 -3.023 -10.006 6.207 1.00 0.80 H new ATOM 0 HA ILE A 25 -5.240 -10.075 8.097 1.00 0.86 H new ATOM 0 HB ILE A 25 -5.291 -8.243 5.971 1.00 0.95 H new ATOM 0 HG12 ILE A 25 -7.825 -9.355 7.170 1.00 1.01 H new ATOM 0 HG13 ILE A 25 -6.649 -8.595 8.225 1.00 1.01 H new ATOM 0 HG21 ILE A 25 -7.104 -9.024 4.514 1.00 1.51 H new ATOM 0 HG22 ILE A 25 -5.630 -10.008 4.349 1.00 1.51 H new ATOM 0 HG23 ILE A 25 -7.015 -10.629 5.277 1.00 1.51 H new ATOM 0 HD11 ILE A 25 -8.358 -6.992 7.517 1.00 1.16 H new ATOM 0 HD12 ILE A 25 -6.763 -6.525 6.882 1.00 1.16 H new ATOM 0 HD13 ILE A 25 -7.956 -7.297 5.811 1.00 1.16 H new ATOM 377 N PRO A 26 -5.758 -12.381 7.264 1.00 0.82 N ATOM 378 CA PRO A 26 -5.934 -13.786 6.874 1.00 0.82 C ATOM 379 C PRO A 26 -6.760 -13.939 5.600 1.00 0.86 C ATOM 380 O PRO A 26 -7.891 -13.453 5.520 1.00 0.95 O ATOM 381 CB PRO A 26 -6.664 -14.406 8.071 1.00 0.88 C ATOM 382 CG PRO A 26 -7.326 -13.260 8.755 1.00 0.98 C ATOM 383 CD PRO A 26 -6.426 -12.076 8.543 1.00 0.87 C ATOM 0 HA PRO A 26 -4.981 -14.266 6.650 1.00 0.82 H new ATOM 0 HB2 PRO A 26 -7.394 -15.147 7.747 1.00 0.88 H new ATOM 0 HB3 PRO A 26 -5.968 -14.915 8.738 1.00 0.88 H new ATOM 0 HG2 PRO A 26 -8.317 -13.077 8.339 1.00 0.98 H new ATOM 0 HG3 PRO A 26 -7.459 -13.464 9.817 1.00 0.98 H new ATOM 0 HD2 PRO A 26 -6.991 -11.146 8.489 1.00 0.87 H new ATOM 0 HD3 PRO A 26 -5.708 -11.966 9.356 1.00 0.87 H new ATOM 391 N GLY A 27 -6.185 -14.617 4.607 1.00 0.85 N ATOM 392 CA GLY A 27 -6.874 -14.825 3.345 1.00 0.94 C ATOM 393 C GLY A 27 -6.177 -14.155 2.172 1.00 0.92 C ATOM 394 O GLY A 27 -6.152 -14.705 1.069 1.00 1.06 O ATOM 0 H GLY A 27 -5.252 -15.026 4.656 1.00 0.85 H new ATOM 0 HA2 GLY A 27 -6.952 -15.895 3.152 1.00 0.94 H new ATOM 0 HA3 GLY A 27 -7.891 -14.441 3.425 1.00 0.94 H new ATOM 398 N ASP A 28 -5.617 -12.966 2.405 1.00 0.80 N ATOM 399 CA ASP A 28 -4.927 -12.228 1.351 1.00 0.80 C ATOM 400 C ASP A 28 -3.515 -11.821 1.773 1.00 0.65 C ATOM 401 O ASP A 28 -3.333 -11.068 2.732 1.00 0.57 O ATOM 402 CB ASP A 28 -5.730 -10.983 0.957 1.00 0.91 C ATOM 403 CG ASP A 28 -6.050 -10.942 -0.529 1.00 1.08 C ATOM 404 OD1 ASP A 28 -5.122 -11.123 -1.346 1.00 1.68 O ATOM 405 OD2 ASP A 28 -7.231 -10.724 -0.872 1.00 1.48 O ATOM 0 H ASP A 28 -5.629 -12.497 3.311 1.00 0.80 H new ATOM 0 HA ASP A 28 -4.842 -12.893 0.491 1.00 0.80 H new ATOM 0 HB2 ASP A 28 -6.659 -10.959 1.526 1.00 0.91 H new ATOM 0 HB3 ASP A 28 -5.167 -10.090 1.229 1.00 0.91 H new ATOM 410 N ASN A 29 -2.521 -12.326 1.038 1.00 0.69 N ATOM 411 CA ASN A 29 -1.113 -12.020 1.315 1.00 0.63 C ATOM 412 C ASN A 29 -0.695 -10.670 0.706 1.00 0.59 C ATOM 413 O ASN A 29 0.496 -10.414 0.514 1.00 0.65 O ATOM 414 CB ASN A 29 -0.203 -13.130 0.773 1.00 0.79 C ATOM 415 CG ASN A 29 -0.806 -14.517 0.919 1.00 1.36 C ATOM 416 OD1 ASN A 29 -1.201 -15.139 -0.067 1.00 2.11 O ATOM 417 ND2 ASN A 29 -0.879 -15.006 2.151 1.00 1.98 N ATOM 0 H ASN A 29 -2.665 -12.950 0.244 1.00 0.69 H new ATOM 0 HA ASN A 29 -1.003 -11.957 2.398 1.00 0.63 H new ATOM 0 HB2 ASN A 29 0.005 -12.940 -0.280 1.00 0.79 H new ATOM 0 HB3 ASN A 29 0.752 -13.098 1.298 1.00 0.79 H new ATOM 0 HD21 ASN A 29 -1.275 -15.933 2.309 1.00 1.98 H new ATOM 0 HD22 ASN A 29 -0.539 -14.455 2.939 1.00 1.98 H new ATOM 424 N SER A 30 -1.677 -9.808 0.408 1.00 0.56 N ATOM 425 CA SER A 30 -1.406 -8.491 -0.172 1.00 0.56 C ATOM 426 C SER A 30 -0.730 -7.573 0.842 1.00 0.55 C ATOM 427 O SER A 30 -0.491 -7.964 1.988 1.00 0.55 O ATOM 428 CB SER A 30 -2.702 -7.838 -0.676 1.00 0.60 C ATOM 429 OG SER A 30 -3.806 -8.723 -0.586 1.00 1.39 O ATOM 0 H SER A 30 -2.667 -10.002 0.560 1.00 0.56 H new ATOM 0 HA SER A 30 -0.732 -8.638 -1.016 1.00 0.56 H new ATOM 0 HB2 SER A 30 -2.907 -6.940 -0.093 1.00 0.60 H new ATOM 0 HB3 SER A 30 -2.572 -7.523 -1.711 1.00 0.60 H new ATOM 0 HG SER A 30 -4.613 -8.274 -0.914 1.00 1.39 H new ATOM 435 N ILE A 31 -0.447 -6.340 0.422 1.00 0.55 N ATOM 436 CA ILE A 31 0.174 -5.366 1.313 1.00 0.55 C ATOM 437 C ILE A 31 -0.881 -4.401 1.865 1.00 0.57 C ATOM 438 O ILE A 31 -1.535 -3.684 1.113 1.00 0.65 O ATOM 439 CB ILE A 31 1.313 -4.575 0.616 1.00 0.53 C ATOM 440 CG1 ILE A 31 2.638 -5.347 0.659 1.00 0.62 C ATOM 441 CG2 ILE A 31 1.497 -3.204 1.259 1.00 0.60 C ATOM 442 CD1 ILE A 31 2.581 -6.738 0.058 1.00 0.80 C ATOM 0 H ILE A 31 -0.636 -5.996 -0.520 1.00 0.55 H new ATOM 0 HA ILE A 31 0.622 -5.921 2.137 1.00 0.55 H new ATOM 0 HB ILE A 31 1.023 -4.443 -0.426 1.00 0.53 H new ATOM 0 HG12 ILE A 31 3.397 -4.769 0.132 1.00 0.62 H new ATOM 0 HG13 ILE A 31 2.962 -5.427 1.696 1.00 0.62 H new ATOM 0 HG21 ILE A 31 2.301 -2.670 0.753 1.00 0.60 H new ATOM 0 HG22 ILE A 31 0.572 -2.634 1.172 1.00 0.60 H new ATOM 0 HG23 ILE A 31 1.750 -3.327 2.312 1.00 0.60 H new ATOM 0 HD11 ILE A 31 3.562 -7.207 0.133 1.00 0.80 H new ATOM 0 HD12 ILE A 31 1.849 -7.338 0.599 1.00 0.80 H new ATOM 0 HD13 ILE A 31 2.291 -6.670 -0.990 1.00 0.80 H new ATOM 454 N TYR A 32 -1.047 -4.405 3.186 1.00 0.60 N ATOM 455 CA TYR A 32 -2.033 -3.548 3.845 1.00 0.62 C ATOM 456 C TYR A 32 -1.374 -2.491 4.728 1.00 0.59 C ATOM 457 O TYR A 32 -0.374 -2.760 5.392 1.00 0.61 O ATOM 458 CB TYR A 32 -2.964 -4.396 4.709 1.00 0.69 C ATOM 459 CG TYR A 32 -3.895 -5.302 3.936 1.00 0.71 C ATOM 460 CD1 TYR A 32 -3.411 -6.393 3.223 1.00 1.28 C ATOM 461 CD2 TYR A 32 -5.263 -5.072 3.937 1.00 1.34 C ATOM 462 CE1 TYR A 32 -4.266 -7.226 2.528 1.00 1.30 C ATOM 463 CE2 TYR A 32 -6.127 -5.898 3.251 1.00 1.38 C ATOM 464 CZ TYR A 32 -5.624 -6.977 2.545 1.00 0.80 C ATOM 465 OH TYR A 32 -6.481 -7.807 1.859 1.00 0.86 O ATOM 0 H TYR A 32 -0.510 -4.993 3.823 1.00 0.60 H new ATOM 0 HA TYR A 32 -2.594 -3.040 3.060 1.00 0.62 H new ATOM 0 HB2 TYR A 32 -2.359 -5.007 5.379 1.00 0.69 H new ATOM 0 HB3 TYR A 32 -3.561 -3.732 5.334 1.00 0.69 H new ATOM 0 HD1 TYR A 32 -2.350 -6.592 3.212 1.00 1.28 H new ATOM 0 HD2 TYR A 32 -5.658 -4.230 4.486 1.00 1.34 H new ATOM 0 HE1 TYR A 32 -3.875 -8.067 1.975 1.00 1.30 H new ATOM 0 HE2 TYR A 32 -7.189 -5.705 3.264 1.00 1.38 H new ATOM 0 HH TYR A 32 -6.041 -8.131 1.045 1.00 0.86 H new ATOM 475 N VAL A 33 -1.971 -1.297 4.759 1.00 0.57 N ATOM 476 CA VAL A 33 -1.473 -0.201 5.591 1.00 0.55 C ATOM 477 C VAL A 33 -1.944 -0.393 7.035 1.00 0.59 C ATOM 478 O VAL A 33 -3.136 -0.585 7.285 1.00 0.65 O ATOM 479 CB VAL A 33 -1.945 1.173 5.062 1.00 0.59 C ATOM 480 CG1 VAL A 33 -1.645 2.282 6.065 1.00 0.62 C ATOM 481 CG2 VAL A 33 -1.296 1.476 3.719 1.00 0.56 C ATOM 0 H VAL A 33 -2.802 -1.065 4.215 1.00 0.57 H new ATOM 0 HA VAL A 33 -0.384 -0.217 5.554 1.00 0.55 H new ATOM 0 HB VAL A 33 -3.026 1.129 4.925 1.00 0.59 H new ATOM 0 HG11 VAL A 33 -1.988 3.236 5.666 1.00 0.62 H new ATOM 0 HG12 VAL A 33 -2.161 2.074 7.002 1.00 0.62 H new ATOM 0 HG13 VAL A 33 -0.571 2.329 6.245 1.00 0.62 H new ATOM 0 HG21 VAL A 33 -1.639 2.447 3.360 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -0.212 1.494 3.834 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -1.572 0.705 2.999 1.00 0.56 H new ATOM 491 N THR A 34 -0.998 -0.382 7.975 1.00 0.62 N ATOM 492 CA THR A 34 -1.319 -0.601 9.388 1.00 0.71 C ATOM 493 C THR A 34 -1.397 0.693 10.213 1.00 0.72 C ATOM 494 O THR A 34 -2.103 0.725 11.222 1.00 0.84 O ATOM 495 CB THR A 34 -0.293 -1.555 10.009 1.00 0.74 C ATOM 496 OG1 THR A 34 -0.627 -1.851 11.355 1.00 1.39 O ATOM 497 CG2 THR A 34 1.123 -1.020 9.994 1.00 1.29 C ATOM 0 H THR A 34 -0.008 -0.225 7.786 1.00 0.62 H new ATOM 0 HA THR A 34 -2.316 -1.040 9.414 1.00 0.71 H new ATOM 0 HB THR A 34 -0.328 -2.449 9.387 1.00 0.74 H new ATOM 0 HG1 THR A 34 -0.386 -2.779 11.555 1.00 1.39 H new ATOM 0 HG21 THR A 34 1.792 -1.750 10.450 1.00 1.29 H new ATOM 0 HG22 THR A 34 1.432 -0.837 8.965 1.00 1.29 H new ATOM 0 HG23 THR A 34 1.166 -0.087 10.557 1.00 1.29 H new ATOM 505 N LYS A 35 -0.683 1.749 9.804 1.00 0.65 N ATOM 506 CA LYS A 35 -0.703 3.013 10.554 1.00 0.71 C ATOM 507 C LYS A 35 -0.281 4.202 9.691 1.00 0.69 C ATOM 508 O LYS A 35 0.832 4.234 9.169 1.00 0.62 O ATOM 509 CB LYS A 35 0.231 2.934 11.768 1.00 0.72 C ATOM 510 CG LYS A 35 -0.347 2.180 12.954 1.00 1.32 C ATOM 511 CD LYS A 35 -0.206 2.972 14.245 1.00 1.46 C ATOM 512 CE LYS A 35 -1.362 3.945 14.433 1.00 2.02 C ATOM 513 NZ LYS A 35 -1.636 4.214 15.872 1.00 2.54 N ATOM 0 H LYS A 35 -0.093 1.756 8.972 1.00 0.65 H new ATOM 0 HA LYS A 35 -1.732 3.166 10.878 1.00 0.71 H new ATOM 0 HB2 LYS A 35 1.161 2.453 11.465 1.00 0.72 H new ATOM 0 HB3 LYS A 35 0.483 3.946 12.084 1.00 0.72 H new ATOM 0 HG2 LYS A 35 -1.400 1.966 12.771 1.00 1.32 H new ATOM 0 HG3 LYS A 35 0.160 1.221 13.058 1.00 1.32 H new ATOM 0 HD2 LYS A 35 -0.165 2.286 15.091 1.00 1.46 H new ATOM 0 HD3 LYS A 35 0.735 3.522 14.235 1.00 1.46 H new ATOM 0 HE2 LYS A 35 -1.133 4.882 13.926 1.00 2.02 H new ATOM 0 HE3 LYS A 35 -2.258 3.539 13.963 1.00 2.02 H new ATOM 0 HZ1 LYS A 35 -2.430 4.881 15.956 1.00 2.54 H new ATOM 0 HZ2 LYS A 35 -1.880 3.324 16.351 1.00 2.54 H new ATOM 0 HZ3 LYS A 35 -0.790 4.626 16.315 1.00 2.54 H new ATOM 527 N ILE A 36 -1.168 5.187 9.564 1.00 0.86 N ATOM 528 CA ILE A 36 -0.871 6.385 8.783 1.00 0.92 C ATOM 529 C ILE A 36 -0.367 7.513 9.691 1.00 0.98 C ATOM 530 O ILE A 36 -1.082 7.961 10.590 1.00 1.06 O ATOM 531 CB ILE A 36 -2.104 6.873 7.993 1.00 1.03 C ATOM 532 CG1 ILE A 36 -2.556 5.794 7.004 1.00 1.40 C ATOM 533 CG2 ILE A 36 -1.787 8.177 7.266 1.00 1.12 C ATOM 534 CD1 ILE A 36 -3.436 6.313 5.887 1.00 1.35 C ATOM 0 H ILE A 36 -2.095 5.179 9.990 1.00 0.86 H new ATOM 0 HA ILE A 36 -0.091 6.117 8.071 1.00 0.92 H new ATOM 0 HB ILE A 36 -2.919 7.063 8.692 1.00 1.03 H new ATOM 0 HG12 ILE A 36 -1.675 5.322 6.569 1.00 1.40 H new ATOM 0 HG13 ILE A 36 -3.096 5.020 7.549 1.00 1.40 H new ATOM 0 HG21 ILE A 36 -2.666 8.508 6.713 1.00 1.12 H new ATOM 0 HG22 ILE A 36 -1.506 8.940 7.992 1.00 1.12 H new ATOM 0 HG23 ILE A 36 -0.962 8.015 6.572 1.00 1.12 H new ATOM 0 HD11 ILE A 36 -3.714 5.489 5.230 1.00 1.35 H new ATOM 0 HD12 ILE A 36 -4.336 6.759 6.310 1.00 1.35 H new ATOM 0 HD13 ILE A 36 -2.893 7.066 5.316 1.00 1.35 H new ATOM 546 N ILE A 37 0.867 7.959 9.451 1.00 1.03 N ATOM 547 CA ILE A 37 1.477 9.027 10.243 1.00 1.10 C ATOM 548 C ILE A 37 0.979 10.409 9.799 1.00 1.10 C ATOM 549 O ILE A 37 1.269 10.836 8.679 1.00 1.37 O ATOM 550 CB ILE A 37 3.022 9.001 10.126 1.00 1.14 C ATOM 551 CG1 ILE A 37 3.595 7.744 10.786 1.00 1.47 C ATOM 552 CG2 ILE A 37 3.632 10.248 10.753 1.00 1.32 C ATOM 553 CD1 ILE A 37 4.042 6.684 9.804 1.00 1.68 C ATOM 0 H ILE A 37 1.466 7.594 8.710 1.00 1.03 H new ATOM 0 HA ILE A 37 1.185 8.851 11.278 1.00 1.10 H new ATOM 0 HB ILE A 37 3.278 8.984 9.067 1.00 1.14 H new ATOM 0 HG12 ILE A 37 4.443 8.028 11.410 1.00 1.47 H new ATOM 0 HG13 ILE A 37 2.841 7.317 11.448 1.00 1.47 H new ATOM 0 HG21 ILE A 37 4.717 10.209 10.660 1.00 1.32 H new ATOM 0 HG22 ILE A 37 3.256 11.134 10.241 1.00 1.32 H new ATOM 0 HG23 ILE A 37 3.360 10.295 11.808 1.00 1.32 H new ATOM 0 HD11 ILE A 37 4.435 5.826 10.349 1.00 1.68 H new ATOM 0 HD12 ILE A 37 3.193 6.370 9.196 1.00 1.68 H new ATOM 0 HD13 ILE A 37 4.820 7.091 9.158 1.00 1.68 H new ATOM 565 N GLU A 38 0.223 11.094 10.677 1.00 0.96 N ATOM 566 CA GLU A 38 -0.321 12.434 10.383 1.00 0.99 C ATOM 567 C GLU A 38 0.646 13.259 9.525 1.00 1.31 C ATOM 568 O GLU A 38 1.867 13.149 9.669 1.00 1.64 O ATOM 569 CB GLU A 38 -0.625 13.186 11.688 1.00 1.23 C ATOM 570 CG GLU A 38 -1.680 14.273 11.540 1.00 1.71 C ATOM 571 CD GLU A 38 -2.341 14.628 12.858 1.00 2.41 C ATOM 572 OE1 GLU A 38 -1.805 15.498 13.576 1.00 2.79 O ATOM 573 OE2 GLU A 38 -3.394 14.035 13.172 1.00 3.11 O ATOM 0 H GLU A 38 -0.026 10.740 11.600 1.00 0.96 H new ATOM 0 HA GLU A 38 -1.244 12.296 9.820 1.00 0.99 H new ATOM 0 HB2 GLU A 38 -0.958 12.470 12.440 1.00 1.23 H new ATOM 0 HB3 GLU A 38 0.296 13.635 12.061 1.00 1.23 H new ATOM 0 HG2 GLU A 38 -1.220 15.166 11.117 1.00 1.71 H new ATOM 0 HG3 GLU A 38 -2.441 13.942 10.834 1.00 1.71 H new ATOM 580 N GLY A 39 0.095 14.095 8.643 1.00 1.69 N ATOM 581 CA GLY A 39 0.918 14.929 7.779 1.00 2.36 C ATOM 582 C GLY A 39 1.668 14.142 6.709 1.00 2.68 C ATOM 583 O GLY A 39 2.559 14.684 6.053 1.00 3.15 O ATOM 0 H GLY A 39 -0.910 14.209 8.512 1.00 1.69 H new ATOM 0 HA2 GLY A 39 0.285 15.673 7.295 1.00 2.36 H new ATOM 0 HA3 GLY A 39 1.638 15.473 8.391 1.00 2.36 H new ATOM 587 N GLY A 40 1.316 12.862 6.535 1.00 2.49 N ATOM 588 CA GLY A 40 1.980 12.030 5.543 1.00 2.80 C ATOM 589 C GLY A 40 1.265 12.010 4.203 1.00 2.61 C ATOM 590 O GLY A 40 0.141 12.497 4.083 1.00 2.37 O ATOM 0 H GLY A 40 0.583 12.391 7.065 1.00 2.49 H new ATOM 0 HA2 GLY A 40 2.998 12.391 5.399 1.00 2.80 H new ATOM 0 HA3 GLY A 40 2.054 11.011 5.923 1.00 2.80 H new ATOM 594 N ALA A 41 1.934 11.446 3.194 1.00 2.83 N ATOM 595 CA ALA A 41 1.388 11.351 1.836 1.00 2.70 C ATOM 596 C ALA A 41 -0.046 10.818 1.827 1.00 2.11 C ATOM 597 O ALA A 41 -0.941 11.450 1.262 1.00 2.06 O ATOM 598 CB ALA A 41 2.279 10.467 0.974 1.00 3.00 C ATOM 0 H ALA A 41 2.866 11.044 3.294 1.00 2.83 H new ATOM 0 HA ALA A 41 1.365 12.359 1.423 1.00 2.70 H new ATOM 0 HB1 ALA A 41 1.864 10.403 -0.032 1.00 3.00 H new ATOM 0 HB2 ALA A 41 3.280 10.895 0.927 1.00 3.00 H new ATOM 0 HB3 ALA A 41 2.331 9.469 1.409 1.00 3.00 H new ATOM 604 N ALA A 42 -0.261 9.657 2.452 1.00 1.82 N ATOM 605 CA ALA A 42 -1.589 9.048 2.510 1.00 1.36 C ATOM 606 C ALA A 42 -2.556 9.915 3.312 1.00 1.16 C ATOM 607 O ALA A 42 -3.655 10.221 2.847 1.00 1.02 O ATOM 608 CB ALA A 42 -1.506 7.650 3.109 1.00 1.50 C ATOM 0 H ALA A 42 0.468 9.122 2.924 1.00 1.82 H new ATOM 0 HA ALA A 42 -1.970 8.971 1.492 1.00 1.36 H new ATOM 0 HB1 ALA A 42 -2.503 7.210 3.145 1.00 1.50 H new ATOM 0 HB2 ALA A 42 -0.857 7.028 2.493 1.00 1.50 H new ATOM 0 HB3 ALA A 42 -1.099 7.710 4.118 1.00 1.50 H new ATOM 614 N HIS A 43 -2.135 10.305 4.518 1.00 1.34 N ATOM 615 CA HIS A 43 -2.955 11.142 5.396 1.00 1.21 C ATOM 616 C HIS A 43 -3.447 12.394 4.666 1.00 1.08 C ATOM 617 O HIS A 43 -4.634 12.720 4.709 1.00 1.15 O ATOM 618 CB HIS A 43 -2.152 11.543 6.637 1.00 1.39 C ATOM 619 CG HIS A 43 -2.925 12.371 7.614 1.00 1.16 C ATOM 620 ND1 HIS A 43 -2.942 13.749 7.583 1.00 1.34 N ATOM 621 CD2 HIS A 43 -3.705 12.010 8.661 1.00 1.15 C ATOM 622 CE1 HIS A 43 -3.693 14.201 8.570 1.00 1.22 C ATOM 623 NE2 HIS A 43 -4.170 13.166 9.238 1.00 1.28 N ATOM 0 H HIS A 43 -1.227 10.053 4.909 1.00 1.34 H new ATOM 0 HA HIS A 43 -3.826 10.562 5.700 1.00 1.21 H new ATOM 0 HB2 HIS A 43 -1.800 10.641 7.138 1.00 1.39 H new ATOM 0 HB3 HIS A 43 -1.268 12.099 6.323 1.00 1.39 H new ATOM 0 HD2 HIS A 43 -3.921 11.002 8.982 1.00 1.15 H new ATOM 0 HE1 HIS A 43 -3.885 15.240 8.793 1.00 1.22 H new ATOM 0 HE2 HIS A 43 -4.784 13.217 10.051 1.00 1.28 H new ATOM 632 N LYS A 44 -2.525 13.087 3.992 1.00 1.15 N ATOM 633 CA LYS A 44 -2.859 14.299 3.245 1.00 1.31 C ATOM 634 C LYS A 44 -3.803 13.986 2.085 1.00 1.39 C ATOM 635 O LYS A 44 -4.735 14.744 1.815 1.00 1.46 O ATOM 636 CB LYS A 44 -1.586 14.969 2.718 1.00 1.74 C ATOM 637 CG LYS A 44 -0.756 15.638 3.802 1.00 1.89 C ATOM 638 CD LYS A 44 0.587 16.109 3.266 1.00 2.36 C ATOM 639 CE LYS A 44 1.220 17.146 4.180 1.00 2.17 C ATOM 640 NZ LYS A 44 2.413 17.786 3.557 1.00 2.66 N ATOM 0 H LYS A 44 -1.540 12.827 3.949 1.00 1.15 H new ATOM 0 HA LYS A 44 -3.366 14.984 3.925 1.00 1.31 H new ATOM 0 HB2 LYS A 44 -0.974 14.221 2.213 1.00 1.74 H new ATOM 0 HB3 LYS A 44 -1.860 15.714 1.971 1.00 1.74 H new ATOM 0 HG2 LYS A 44 -1.304 16.487 4.209 1.00 1.89 H new ATOM 0 HG3 LYS A 44 -0.596 14.939 4.623 1.00 1.89 H new ATOM 0 HD2 LYS A 44 1.258 15.256 3.162 1.00 2.36 H new ATOM 0 HD3 LYS A 44 0.454 16.533 2.271 1.00 2.36 H new ATOM 0 HE2 LYS A 44 0.484 17.912 4.424 1.00 2.17 H new ATOM 0 HE3 LYS A 44 1.511 16.673 5.118 1.00 2.17 H new ATOM 0 HZ1 LYS A 44 2.814 18.486 4.213 1.00 2.66 H new ATOM 0 HZ2 LYS A 44 3.127 17.059 3.347 1.00 2.66 H new ATOM 0 HZ3 LYS A 44 2.132 18.260 2.675 1.00 2.66 H new ATOM 654 N ASP A 45 -3.557 12.860 1.408 1.00 1.59 N ATOM 655 CA ASP A 45 -4.388 12.439 0.281 1.00 1.86 C ATOM 656 C ASP A 45 -5.832 12.204 0.729 1.00 1.89 C ATOM 657 O ASP A 45 -6.768 12.739 0.134 1.00 1.97 O ATOM 658 CB ASP A 45 -3.823 11.163 -0.353 1.00 2.33 C ATOM 659 CG ASP A 45 -4.140 11.057 -1.834 1.00 2.69 C ATOM 660 OD1 ASP A 45 -5.299 10.737 -2.172 1.00 2.80 O ATOM 661 OD2 ASP A 45 -3.229 11.293 -2.655 1.00 3.24 O ATOM 0 H ASP A 45 -2.788 12.225 1.623 1.00 1.59 H new ATOM 0 HA ASP A 45 -4.380 13.237 -0.462 1.00 1.86 H new ATOM 0 HB2 ASP A 45 -2.742 11.141 -0.214 1.00 2.33 H new ATOM 0 HB3 ASP A 45 -4.229 10.294 0.165 1.00 2.33 H new ATOM 666 N GLY A 46 -5.999 11.404 1.786 1.00 2.08 N ATOM 667 CA GLY A 46 -7.328 11.114 2.303 1.00 2.49 C ATOM 668 C GLY A 46 -7.959 9.871 1.689 1.00 2.11 C ATOM 669 O GLY A 46 -8.901 9.313 2.253 1.00 2.47 O ATOM 0 H GLY A 46 -5.237 10.953 2.292 1.00 2.08 H new ATOM 0 HA2 GLY A 46 -7.269 10.986 3.384 1.00 2.49 H new ATOM 0 HA3 GLY A 46 -7.976 11.970 2.118 1.00 2.49 H new ATOM 673 N LYS A 47 -7.445 9.435 0.534 1.00 1.87 N ATOM 674 CA LYS A 47 -7.973 8.253 -0.146 1.00 2.32 C ATOM 675 C LYS A 47 -7.498 6.962 0.524 1.00 1.93 C ATOM 676 O LYS A 47 -8.234 5.975 0.565 1.00 1.95 O ATOM 677 CB LYS A 47 -7.566 8.257 -1.622 1.00 2.80 C ATOM 678 CG LYS A 47 -8.742 8.131 -2.577 1.00 3.64 C ATOM 679 CD LYS A 47 -8.289 7.719 -3.968 1.00 4.17 C ATOM 680 CE LYS A 47 -9.443 7.733 -4.960 1.00 5.03 C ATOM 681 NZ LYS A 47 -10.190 6.444 -4.965 1.00 5.67 N ATOM 0 H LYS A 47 -6.665 9.884 0.053 1.00 1.87 H new ATOM 0 HA LYS A 47 -9.060 8.291 -0.075 1.00 2.32 H new ATOM 0 HB2 LYS A 47 -7.029 9.180 -1.840 1.00 2.80 H new ATOM 0 HB3 LYS A 47 -6.873 7.435 -1.802 1.00 2.80 H new ATOM 0 HG2 LYS A 47 -9.448 7.396 -2.191 1.00 3.64 H new ATOM 0 HG3 LYS A 47 -9.271 9.083 -2.632 1.00 3.64 H new ATOM 0 HD2 LYS A 47 -7.505 8.395 -4.311 1.00 4.17 H new ATOM 0 HD3 LYS A 47 -7.854 6.720 -3.929 1.00 4.17 H new ATOM 0 HE2 LYS A 47 -10.125 8.546 -4.712 1.00 5.03 H new ATOM 0 HE3 LYS A 47 -9.059 7.933 -5.960 1.00 5.03 H new ATOM 0 HZ1 LYS A 47 -10.967 6.496 -5.654 1.00 5.67 H new ATOM 0 HZ2 LYS A 47 -9.546 5.671 -5.227 1.00 5.67 H new ATOM 0 HZ3 LYS A 47 -10.579 6.264 -4.017 1.00 5.67 H new ATOM 695 N LEU A 48 -6.268 6.972 1.048 1.00 1.68 N ATOM 696 CA LEU A 48 -5.710 5.795 1.711 1.00 1.38 C ATOM 697 C LEU A 48 -6.061 5.783 3.198 1.00 1.28 C ATOM 698 O LEU A 48 -5.787 6.743 3.922 1.00 1.35 O ATOM 699 CB LEU A 48 -4.189 5.743 1.530 1.00 1.19 C ATOM 700 CG LEU A 48 -3.581 4.337 1.536 1.00 1.09 C ATOM 701 CD1 LEU A 48 -2.265 4.317 0.772 1.00 1.56 C ATOM 702 CD2 LEU A 48 -3.377 3.848 2.963 1.00 1.06 C ATOM 0 H LEU A 48 -5.645 7.779 1.025 1.00 1.68 H new ATOM 0 HA LEU A 48 -6.150 4.912 1.247 1.00 1.38 H new ATOM 0 HB2 LEU A 48 -3.934 6.228 0.588 1.00 1.19 H new ATOM 0 HB3 LEU A 48 -3.724 6.326 2.325 1.00 1.19 H new ATOM 0 HG LEU A 48 -4.277 3.662 1.037 1.00 1.09 H new ATOM 0 HD11 LEU A 48 -1.850 3.309 0.788 1.00 1.56 H new ATOM 0 HD12 LEU A 48 -2.439 4.621 -0.260 1.00 1.56 H new ATOM 0 HD13 LEU A 48 -1.562 5.006 1.240 1.00 1.56 H new ATOM 0 HD21 LEU A 48 -2.944 2.848 2.946 1.00 1.06 H new ATOM 0 HD22 LEU A 48 -2.704 4.526 3.487 1.00 1.06 H new ATOM 0 HD23 LEU A 48 -4.337 3.820 3.479 1.00 1.06 H new ATOM 714 N GLN A 49 -6.665 4.681 3.641 1.00 1.21 N ATOM 715 CA GLN A 49 -7.060 4.505 5.034 1.00 1.17 C ATOM 716 C GLN A 49 -6.638 3.122 5.532 1.00 1.09 C ATOM 717 O GLN A 49 -6.672 2.150 4.777 1.00 1.14 O ATOM 718 CB GLN A 49 -8.575 4.682 5.182 1.00 1.30 C ATOM 719 CG GLN A 49 -9.402 3.641 4.437 1.00 1.46 C ATOM 720 CD GLN A 49 -9.582 3.974 2.966 1.00 1.45 C ATOM 721 OE1 GLN A 49 -8.936 3.202 2.097 1.00 1.54 O flip ATOM 722 NE2 GLN A 49 -10.294 4.915 2.614 1.00 1.52 N flip ATOM 0 H GLN A 49 -6.893 3.887 3.043 1.00 1.21 H new ATOM 0 HA GLN A 49 -6.559 5.262 5.638 1.00 1.17 H new ATOM 0 HB2 GLN A 49 -8.832 4.644 6.241 1.00 1.30 H new ATOM 0 HB3 GLN A 49 -8.850 5.673 4.822 1.00 1.30 H new ATOM 0 HG2 GLN A 49 -8.920 2.668 4.528 1.00 1.46 H new ATOM 0 HG3 GLN A 49 -10.381 3.557 4.908 1.00 1.46 H new ATOM 0 HE21 GLN A 49 -10.772 5.482 3.314 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -10.406 5.127 1.623 1.00 1.52 H new ATOM 731 N ILE A 50 -6.241 3.037 6.802 1.00 1.06 N ATOM 732 CA ILE A 50 -5.812 1.764 7.390 1.00 1.03 C ATOM 733 C ILE A 50 -6.794 0.638 7.056 1.00 1.05 C ATOM 734 O ILE A 50 -7.987 0.734 7.354 1.00 1.16 O ATOM 735 CB ILE A 50 -5.650 1.862 8.926 1.00 1.08 C ATOM 736 CG1 ILE A 50 -6.899 2.479 9.570 1.00 1.76 C ATOM 737 CG2 ILE A 50 -4.409 2.670 9.277 1.00 1.14 C ATOM 738 CD1 ILE A 50 -7.682 1.509 10.428 1.00 2.56 C ATOM 0 H ILE A 50 -6.207 3.830 7.443 1.00 1.06 H new ATOM 0 HA ILE A 50 -4.840 1.534 6.953 1.00 1.03 H new ATOM 0 HB ILE A 50 -5.531 0.854 9.323 1.00 1.08 H new ATOM 0 HG12 ILE A 50 -6.599 3.331 10.181 1.00 1.76 H new ATOM 0 HG13 ILE A 50 -7.550 2.863 8.785 1.00 1.76 H new ATOM 0 HG21 ILE A 50 -4.308 2.730 10.361 1.00 1.14 H new ATOM 0 HG22 ILE A 50 -3.528 2.184 8.857 1.00 1.14 H new ATOM 0 HG23 ILE A 50 -4.500 3.675 8.865 1.00 1.14 H new ATOM 0 HD11 ILE A 50 -8.550 2.015 10.850 1.00 2.56 H new ATOM 0 HD12 ILE A 50 -8.013 0.669 9.818 1.00 2.56 H new ATOM 0 HD13 ILE A 50 -7.048 1.143 11.235 1.00 2.56 H new ATOM 750 N GLY A 51 -6.284 -0.423 6.427 1.00 1.02 N ATOM 751 CA GLY A 51 -7.124 -1.552 6.052 1.00 1.10 C ATOM 752 C GLY A 51 -7.131 -1.828 4.557 1.00 1.04 C ATOM 753 O GLY A 51 -7.434 -2.949 4.143 1.00 1.03 O ATOM 0 H GLY A 51 -5.302 -0.520 6.170 1.00 1.02 H new ATOM 0 HA2 GLY A 51 -6.779 -2.443 6.577 1.00 1.10 H new ATOM 0 HA3 GLY A 51 -8.145 -1.362 6.384 1.00 1.10 H new ATOM 757 N ASP A 52 -6.801 -0.822 3.736 1.00 1.04 N ATOM 758 CA ASP A 52 -6.776 -1.008 2.290 1.00 1.01 C ATOM 759 C ASP A 52 -5.670 -1.979 1.889 1.00 0.91 C ATOM 760 O ASP A 52 -4.695 -2.165 2.628 1.00 0.88 O ATOM 761 CB ASP A 52 -6.597 0.330 1.559 1.00 1.03 C ATOM 762 CG ASP A 52 -5.547 1.231 2.179 1.00 1.11 C ATOM 763 OD1 ASP A 52 -4.489 0.723 2.608 1.00 1.55 O ATOM 764 OD2 ASP A 52 -5.787 2.450 2.224 1.00 1.56 O ATOM 0 H ASP A 52 -6.551 0.116 4.049 1.00 1.04 H new ATOM 0 HA ASP A 52 -7.737 -1.430 1.996 1.00 1.01 H new ATOM 0 HB2 ASP A 52 -6.327 0.133 0.522 1.00 1.03 H new ATOM 0 HB3 ASP A 52 -7.551 0.856 1.545 1.00 1.03 H new ATOM 769 N LYS A 53 -5.824 -2.594 0.718 1.00 0.88 N ATOM 770 CA LYS A 53 -4.837 -3.547 0.226 1.00 0.82 C ATOM 771 C LYS A 53 -4.093 -3.008 -0.993 1.00 0.76 C ATOM 772 O LYS A 53 -4.623 -2.223 -1.772 1.00 0.87 O ATOM 773 CB LYS A 53 -5.499 -4.888 -0.113 1.00 0.94 C ATOM 774 CG LYS A 53 -6.739 -4.767 -0.986 1.00 1.33 C ATOM 775 CD LYS A 53 -8.011 -4.722 -0.151 1.00 1.83 C ATOM 776 CE LYS A 53 -8.507 -6.120 0.190 1.00 2.37 C ATOM 777 NZ LYS A 53 -9.013 -6.214 1.590 1.00 3.23 N ATOM 0 H LYS A 53 -6.620 -2.449 0.096 1.00 0.88 H new ATOM 0 HA LYS A 53 -4.110 -3.702 1.024 1.00 0.82 H new ATOM 0 HB2 LYS A 53 -4.772 -5.522 -0.620 1.00 0.94 H new ATOM 0 HB3 LYS A 53 -5.769 -5.392 0.815 1.00 0.94 H new ATOM 0 HG2 LYS A 53 -6.670 -3.865 -1.594 1.00 1.33 H new ATOM 0 HG3 LYS A 53 -6.784 -5.612 -1.674 1.00 1.33 H new ATOM 0 HD2 LYS A 53 -7.824 -4.167 0.768 1.00 1.83 H new ATOM 0 HD3 LYS A 53 -8.786 -4.183 -0.696 1.00 1.83 H new ATOM 0 HE2 LYS A 53 -9.302 -6.400 -0.501 1.00 2.37 H new ATOM 0 HE3 LYS A 53 -7.696 -6.835 0.050 1.00 2.37 H new ATOM 0 HZ1 LYS A 53 -8.468 -6.933 2.108 1.00 3.23 H new ATOM 0 HZ2 LYS A 53 -8.906 -5.293 2.060 1.00 3.23 H new ATOM 0 HZ3 LYS A 53 -10.018 -6.482 1.579 1.00 3.23 H new ATOM 791 N LEU A 54 -2.849 -3.429 -1.120 1.00 0.64 N ATOM 792 CA LEU A 54 -1.997 -2.991 -2.216 1.00 0.66 C ATOM 793 C LEU A 54 -1.871 -4.062 -3.293 1.00 0.64 C ATOM 794 O LEU A 54 -1.152 -5.050 -3.132 1.00 0.79 O ATOM 795 CB LEU A 54 -0.619 -2.571 -1.701 1.00 0.73 C ATOM 796 CG LEU A 54 -0.397 -1.058 -1.659 1.00 0.83 C ATOM 797 CD1 LEU A 54 0.590 -0.681 -0.565 1.00 1.11 C ATOM 798 CD2 LEU A 54 0.081 -0.555 -3.013 1.00 1.72 C ATOM 0 H LEU A 54 -2.401 -4.079 -0.474 1.00 0.64 H new ATOM 0 HA LEU A 54 -2.471 -2.122 -2.672 1.00 0.66 H new ATOM 0 HB2 LEU A 54 -0.480 -2.975 -0.698 1.00 0.73 H new ATOM 0 HB3 LEU A 54 0.145 -3.021 -2.334 1.00 0.73 H new ATOM 0 HG LEU A 54 -1.349 -0.580 -1.428 1.00 0.83 H new ATOM 0 HD11 LEU A 54 0.729 0.400 -0.557 1.00 1.11 H new ATOM 0 HD12 LEU A 54 0.203 -1.004 0.401 1.00 1.11 H new ATOM 0 HD13 LEU A 54 1.546 -1.169 -0.754 1.00 1.11 H new ATOM 0 HD21 LEU A 54 0.234 0.523 -2.967 1.00 1.72 H new ATOM 0 HD22 LEU A 54 1.020 -1.044 -3.272 1.00 1.72 H new ATOM 0 HD23 LEU A 54 -0.668 -0.783 -3.771 1.00 1.72 H new ATOM 810 N LEU A 55 -2.580 -3.839 -4.398 1.00 0.56 N ATOM 811 CA LEU A 55 -2.566 -4.753 -5.532 1.00 0.58 C ATOM 812 C LEU A 55 -1.246 -4.637 -6.282 1.00 0.54 C ATOM 813 O LEU A 55 -0.607 -5.648 -6.573 1.00 0.56 O ATOM 814 CB LEU A 55 -3.735 -4.455 -6.477 1.00 0.66 C ATOM 815 CG LEU A 55 -3.733 -5.237 -7.794 1.00 0.91 C ATOM 816 CD1 LEU A 55 -5.105 -5.839 -8.061 1.00 1.27 C ATOM 817 CD2 LEU A 55 -3.310 -4.338 -8.948 1.00 1.87 C ATOM 0 H LEU A 55 -3.177 -3.023 -4.530 1.00 0.56 H new ATOM 0 HA LEU A 55 -2.673 -5.771 -5.157 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -4.667 -4.664 -5.952 1.00 0.66 H new ATOM 0 HB3 LEU A 55 -3.731 -3.390 -6.707 1.00 0.66 H new ATOM 0 HG LEU A 55 -3.012 -6.050 -7.709 1.00 0.91 H new ATOM 0 HD11 LEU A 55 -5.084 -6.391 -9.001 1.00 1.27 H new ATOM 0 HD12 LEU A 55 -5.370 -6.516 -7.249 1.00 1.27 H new ATOM 0 HD13 LEU A 55 -5.846 -5.042 -8.125 1.00 1.27 H new ATOM 0 HD21 LEU A 55 -3.314 -4.910 -9.876 1.00 1.87 H new ATOM 0 HD22 LEU A 55 -4.006 -3.504 -9.033 1.00 1.87 H new ATOM 0 HD23 LEU A 55 -2.306 -3.956 -8.762 1.00 1.87 H new ATOM 829 N ALA A 56 -0.842 -3.401 -6.599 1.00 0.51 N ATOM 830 CA ALA A 56 0.412 -3.188 -7.323 1.00 0.49 C ATOM 831 C ALA A 56 1.044 -1.825 -7.010 1.00 0.53 C ATOM 832 O ALA A 56 0.348 -0.865 -6.679 1.00 0.67 O ATOM 833 CB ALA A 56 0.171 -3.323 -8.826 1.00 0.54 C ATOM 0 H ALA A 56 -1.355 -2.550 -6.370 1.00 0.51 H new ATOM 0 HA ALA A 56 1.115 -3.952 -6.991 1.00 0.49 H new ATOM 0 HB1 ALA A 56 1.108 -3.164 -9.360 1.00 0.54 H new ATOM 0 HB2 ALA A 56 -0.207 -4.322 -9.046 1.00 0.54 H new ATOM 0 HB3 ALA A 56 -0.560 -2.580 -9.145 1.00 0.54 H new ATOM 839 N VAL A 57 2.374 -1.754 -7.125 1.00 0.50 N ATOM 840 CA VAL A 57 3.116 -0.519 -6.870 1.00 0.59 C ATOM 841 C VAL A 57 4.139 -0.258 -7.980 1.00 0.53 C ATOM 842 O VAL A 57 5.151 -0.952 -8.077 1.00 0.52 O ATOM 843 CB VAL A 57 3.847 -0.564 -5.509 1.00 0.77 C ATOM 844 CG1 VAL A 57 4.678 0.695 -5.296 1.00 1.42 C ATOM 845 CG2 VAL A 57 2.851 -0.742 -4.375 1.00 1.47 C ATOM 0 H VAL A 57 2.960 -2.544 -7.395 1.00 0.50 H new ATOM 0 HA VAL A 57 2.386 0.290 -6.849 1.00 0.59 H new ATOM 0 HB VAL A 57 4.522 -1.420 -5.515 1.00 0.77 H new ATOM 0 HG11 VAL A 57 5.182 0.639 -4.331 1.00 1.42 H new ATOM 0 HG12 VAL A 57 5.421 0.779 -6.089 1.00 1.42 H new ATOM 0 HG13 VAL A 57 4.026 1.569 -5.315 1.00 1.42 H new ATOM 0 HG21 VAL A 57 3.383 -0.772 -3.424 1.00 1.47 H new ATOM 0 HG22 VAL A 57 2.150 0.092 -4.372 1.00 1.47 H new ATOM 0 HG23 VAL A 57 2.304 -1.675 -4.514 1.00 1.47 H new ATOM 855 N ASN A 58 3.868 0.751 -8.810 1.00 0.57 N ATOM 856 CA ASN A 58 4.761 1.113 -9.914 1.00 0.58 C ATOM 857 C ASN A 58 4.901 -0.033 -10.926 1.00 0.59 C ATOM 858 O ASN A 58 6.011 -0.383 -11.334 1.00 0.60 O ATOM 859 CB ASN A 58 6.139 1.528 -9.377 1.00 0.57 C ATOM 860 CG ASN A 58 6.186 2.991 -8.974 1.00 0.80 C ATOM 861 OD1 ASN A 58 6.613 3.845 -9.750 1.00 1.39 O ATOM 862 ND2 ASN A 58 5.748 3.287 -7.754 1.00 1.49 N ATOM 0 H ASN A 58 3.034 1.334 -8.739 1.00 0.57 H new ATOM 0 HA ASN A 58 4.317 1.961 -10.435 1.00 0.58 H new ATOM 0 HB2 ASN A 58 6.392 0.909 -8.517 1.00 0.57 H new ATOM 0 HB3 ASN A 58 6.895 1.339 -10.139 1.00 0.57 H new ATOM 0 HD21 ASN A 58 5.758 4.254 -7.429 1.00 1.49 H new ATOM 0 HD22 ASN A 58 5.402 2.547 -7.143 1.00 1.49 H new ATOM 869 N ASN A 59 3.757 -0.603 -11.327 1.00 0.60 N ATOM 870 CA ASN A 59 3.711 -1.703 -12.304 1.00 0.65 C ATOM 871 C ASN A 59 3.979 -3.078 -11.673 1.00 0.61 C ATOM 872 O ASN A 59 3.687 -4.103 -12.292 1.00 0.67 O ATOM 873 CB ASN A 59 4.698 -1.457 -13.452 1.00 0.71 C ATOM 874 CG ASN A 59 4.095 -1.760 -14.811 1.00 1.18 C ATOM 875 OD1 ASN A 59 4.050 -2.914 -15.239 1.00 1.74 O ATOM 876 ND2 ASN A 59 3.626 -0.723 -15.499 1.00 1.52 N ATOM 0 H ASN A 59 2.839 -0.317 -10.986 1.00 0.60 H new ATOM 0 HA ASN A 59 2.694 -1.718 -12.695 1.00 0.65 H new ATOM 0 HB2 ASN A 59 5.027 -0.418 -13.428 1.00 0.71 H new ATOM 0 HB3 ASN A 59 5.583 -2.076 -13.305 1.00 0.71 H new ATOM 0 HD21 ASN A 59 3.209 -0.868 -16.419 1.00 1.52 H new ATOM 0 HD22 ASN A 59 3.683 0.217 -15.107 1.00 1.52 H new ATOM 883 N VAL A 60 4.518 -3.111 -10.450 1.00 0.53 N ATOM 884 CA VAL A 60 4.794 -4.381 -9.773 1.00 0.52 C ATOM 885 C VAL A 60 3.622 -4.773 -8.881 1.00 0.51 C ATOM 886 O VAL A 60 2.946 -3.909 -8.339 1.00 0.50 O ATOM 887 CB VAL A 60 6.086 -4.323 -8.919 1.00 0.50 C ATOM 888 CG1 VAL A 60 7.225 -3.676 -9.694 1.00 0.51 C ATOM 889 CG2 VAL A 60 5.850 -3.592 -7.602 1.00 0.54 C ATOM 0 H VAL A 60 4.770 -2.281 -9.913 1.00 0.53 H new ATOM 0 HA VAL A 60 4.937 -5.129 -10.553 1.00 0.52 H new ATOM 0 HB VAL A 60 6.370 -5.349 -8.687 1.00 0.50 H new ATOM 0 HG11 VAL A 60 8.119 -3.648 -9.071 1.00 0.51 H new ATOM 0 HG12 VAL A 60 7.428 -4.256 -10.594 1.00 0.51 H new ATOM 0 HG13 VAL A 60 6.945 -2.660 -9.972 1.00 0.51 H new ATOM 0 HG21 VAL A 60 6.776 -3.569 -7.027 1.00 0.54 H new ATOM 0 HG22 VAL A 60 5.524 -2.572 -7.805 1.00 0.54 H new ATOM 0 HG23 VAL A 60 5.081 -4.111 -7.030 1.00 0.54 H new ATOM 899 N CYS A 61 3.384 -6.072 -8.719 1.00 0.53 N ATOM 900 CA CYS A 61 2.285 -6.531 -7.873 1.00 0.54 C ATOM 901 C CYS A 61 2.729 -6.620 -6.416 1.00 0.58 C ATOM 902 O CYS A 61 3.761 -7.220 -6.107 1.00 0.72 O ATOM 903 CB CYS A 61 1.747 -7.878 -8.352 1.00 0.56 C ATOM 904 SG CYS A 61 2.944 -9.233 -8.274 1.00 0.71 S ATOM 0 H CYS A 61 3.928 -6.816 -9.155 1.00 0.53 H new ATOM 0 HA CYS A 61 1.479 -5.801 -7.946 1.00 0.54 H new ATOM 0 HB2 CYS A 61 0.878 -8.143 -7.750 1.00 0.56 H new ATOM 0 HB3 CYS A 61 1.403 -7.773 -9.381 1.00 0.56 H new ATOM 0 HG CYS A 61 3.838 -8.971 -7.367 1.00 0.71 H new ATOM 910 N LEU A 62 1.937 -6.028 -5.523 1.00 0.55 N ATOM 911 CA LEU A 62 2.234 -6.045 -4.096 1.00 0.62 C ATOM 912 C LEU A 62 1.374 -7.077 -3.348 1.00 0.58 C ATOM 913 O LEU A 62 0.971 -6.852 -2.199 1.00 0.51 O ATOM 914 CB LEU A 62 2.056 -4.643 -3.508 1.00 0.77 C ATOM 915 CG LEU A 62 3.144 -4.225 -2.517 1.00 0.95 C ATOM 916 CD1 LEU A 62 4.475 -4.041 -3.231 1.00 1.71 C ATOM 917 CD2 LEU A 62 2.749 -2.950 -1.791 1.00 1.08 C ATOM 0 H LEU A 62 1.081 -5.529 -5.767 1.00 0.55 H new ATOM 0 HA LEU A 62 3.273 -6.348 -3.968 1.00 0.62 H new ATOM 0 HB2 LEU A 62 2.030 -3.921 -4.325 1.00 0.77 H new ATOM 0 HB3 LEU A 62 1.089 -4.593 -3.008 1.00 0.77 H new ATOM 0 HG LEU A 62 3.255 -5.019 -1.778 1.00 0.95 H new ATOM 0 HD11 LEU A 62 5.237 -3.744 -2.510 1.00 1.71 H new ATOM 0 HD12 LEU A 62 4.768 -4.979 -3.702 1.00 1.71 H new ATOM 0 HD13 LEU A 62 4.375 -3.268 -3.993 1.00 1.71 H new ATOM 0 HD21 LEU A 62 3.537 -2.671 -1.091 1.00 1.08 H new ATOM 0 HD22 LEU A 62 2.606 -2.148 -2.515 1.00 1.08 H new ATOM 0 HD23 LEU A 62 1.820 -3.115 -1.245 1.00 1.08 H new ATOM 929 N GLU A 63 1.069 -8.194 -4.016 1.00 0.72 N ATOM 930 CA GLU A 63 0.243 -9.245 -3.421 1.00 0.80 C ATOM 931 C GLU A 63 0.940 -10.613 -3.420 1.00 0.95 C ATOM 932 O GLU A 63 0.522 -11.516 -2.693 1.00 1.83 O ATOM 933 CB GLU A 63 -1.096 -9.347 -4.158 1.00 0.86 C ATOM 934 CG GLU A 63 -2.201 -9.980 -3.327 1.00 1.12 C ATOM 935 CD GLU A 63 -3.225 -10.714 -4.171 1.00 1.31 C ATOM 936 OE1 GLU A 63 -2.888 -11.789 -4.712 1.00 1.65 O ATOM 937 OE2 GLU A 63 -4.364 -10.216 -4.290 1.00 1.96 O ATOM 0 H GLU A 63 1.382 -8.392 -4.967 1.00 0.72 H new ATOM 0 HA GLU A 63 0.074 -8.965 -2.381 1.00 0.80 H new ATOM 0 HB2 GLU A 63 -1.410 -8.349 -4.465 1.00 0.86 H new ATOM 0 HB3 GLU A 63 -0.957 -9.931 -5.068 1.00 0.86 H new ATOM 0 HG2 GLU A 63 -1.759 -10.676 -2.613 1.00 1.12 H new ATOM 0 HG3 GLU A 63 -2.703 -9.205 -2.748 1.00 1.12 H new ATOM 944 N GLU A 64 1.993 -10.772 -4.230 1.00 1.04 N ATOM 945 CA GLU A 64 2.717 -12.042 -4.303 1.00 1.08 C ATOM 946 C GLU A 64 4.186 -11.881 -3.891 1.00 0.90 C ATOM 947 O GLU A 64 5.078 -12.495 -4.482 1.00 0.96 O ATOM 948 CB GLU A 64 2.617 -12.615 -5.716 1.00 1.28 C ATOM 949 CG GLU A 64 1.634 -13.770 -5.838 1.00 1.53 C ATOM 950 CD GLU A 64 0.190 -13.329 -5.668 1.00 2.14 C ATOM 951 OE1 GLU A 64 -0.364 -12.731 -6.614 1.00 2.40 O ATOM 952 OE2 GLU A 64 -0.383 -13.581 -4.587 1.00 2.93 O ATOM 0 H GLU A 64 2.359 -10.041 -4.840 1.00 1.04 H new ATOM 0 HA GLU A 64 2.256 -12.735 -3.600 1.00 1.08 H new ATOM 0 HB2 GLU A 64 2.318 -11.821 -6.400 1.00 1.28 H new ATOM 0 HB3 GLU A 64 3.604 -12.954 -6.032 1.00 1.28 H new ATOM 0 HG2 GLU A 64 1.753 -14.242 -6.813 1.00 1.53 H new ATOM 0 HG3 GLU A 64 1.870 -14.524 -5.087 1.00 1.53 H new ATOM 959 N VAL A 65 4.429 -11.053 -2.873 1.00 0.80 N ATOM 960 CA VAL A 65 5.791 -10.815 -2.390 1.00 0.64 C ATOM 961 C VAL A 65 5.861 -10.770 -0.866 1.00 0.64 C ATOM 962 O VAL A 65 4.863 -10.510 -0.191 1.00 0.70 O ATOM 963 CB VAL A 65 6.374 -9.498 -2.943 1.00 0.56 C ATOM 964 CG1 VAL A 65 6.656 -9.616 -4.433 1.00 0.64 C ATOM 965 CG2 VAL A 65 5.441 -8.328 -2.658 1.00 0.59 C ATOM 0 H VAL A 65 3.706 -10.539 -2.370 1.00 0.80 H new ATOM 0 HA VAL A 65 6.382 -11.656 -2.752 1.00 0.64 H new ATOM 0 HB VAL A 65 7.318 -9.307 -2.434 1.00 0.56 H new ATOM 0 HG11 VAL A 65 7.066 -8.676 -4.801 1.00 0.64 H new ATOM 0 HG12 VAL A 65 7.374 -10.418 -4.605 1.00 0.64 H new ATOM 0 HG13 VAL A 65 5.730 -9.839 -4.962 1.00 0.64 H new ATOM 0 HG21 VAL A 65 5.874 -7.411 -3.058 1.00 0.59 H new ATOM 0 HG22 VAL A 65 4.476 -8.509 -3.131 1.00 0.59 H new ATOM 0 HG23 VAL A 65 5.304 -8.225 -1.581 1.00 0.59 H new ATOM 975 N THR A 66 7.064 -11.009 -0.339 1.00 0.63 N ATOM 976 CA THR A 66 7.299 -10.981 1.104 1.00 0.69 C ATOM 977 C THR A 66 7.183 -9.549 1.630 1.00 0.61 C ATOM 978 O THR A 66 6.820 -8.633 0.883 1.00 0.66 O ATOM 979 CB THR A 66 8.681 -11.564 1.445 1.00 0.74 C ATOM 980 OG1 THR A 66 9.262 -12.201 0.319 1.00 1.53 O ATOM 981 CG2 THR A 66 8.640 -12.579 2.568 1.00 1.17 C ATOM 0 H THR A 66 7.892 -11.225 -0.894 1.00 0.63 H new ATOM 0 HA THR A 66 6.541 -11.597 1.587 1.00 0.69 H new ATOM 0 HB THR A 66 9.277 -10.708 1.762 1.00 0.74 H new ATOM 0 HG1 THR A 66 9.854 -11.572 -0.143 1.00 1.53 H new ATOM 0 HG21 THR A 66 9.647 -12.951 2.759 1.00 1.17 H new ATOM 0 HG22 THR A 66 8.250 -12.108 3.470 1.00 1.17 H new ATOM 0 HG23 THR A 66 7.994 -13.410 2.284 1.00 1.17 H new ATOM 989 N HIS A 67 7.495 -9.347 2.911 1.00 0.51 N ATOM 990 CA HIS A 67 7.412 -8.007 3.486 1.00 0.45 C ATOM 991 C HIS A 67 8.508 -7.105 2.925 1.00 0.43 C ATOM 992 O HIS A 67 8.262 -5.931 2.650 1.00 0.41 O ATOM 993 CB HIS A 67 7.431 -8.015 5.018 1.00 0.45 C ATOM 994 CG HIS A 67 7.069 -6.677 5.583 1.00 0.46 C ATOM 995 ND1 HIS A 67 5.792 -6.359 5.983 1.00 0.51 N ATOM 996 CD2 HIS A 67 7.801 -5.548 5.741 1.00 0.49 C ATOM 997 CE1 HIS A 67 5.754 -5.094 6.355 1.00 0.54 C ATOM 998 NE2 HIS A 67 6.958 -4.580 6.220 1.00 0.52 N ATOM 0 H HIS A 67 7.800 -10.076 3.556 1.00 0.51 H new ATOM 0 HA HIS A 67 6.445 -7.599 3.193 1.00 0.45 H new ATOM 0 HB2 HIS A 67 6.733 -8.767 5.387 1.00 0.45 H new ATOM 0 HB3 HIS A 67 8.423 -8.302 5.368 1.00 0.45 H new ATOM 0 HD1 HIS A 67 4.999 -7.001 5.991 1.00 0.51 H new ATOM 0 HD2 HIS A 67 8.854 -5.432 5.529 1.00 0.49 H new ATOM 0 HE1 HIS A 67 4.881 -4.568 6.711 1.00 0.54 H new ATOM 1007 N GLU A 68 9.715 -7.651 2.751 1.00 0.45 N ATOM 1008 CA GLU A 68 10.833 -6.875 2.207 1.00 0.45 C ATOM 1009 C GLU A 68 10.404 -6.141 0.936 1.00 0.42 C ATOM 1010 O GLU A 68 10.644 -4.945 0.790 1.00 0.41 O ATOM 1011 CB GLU A 68 12.030 -7.786 1.904 1.00 0.49 C ATOM 1012 CG GLU A 68 12.615 -8.459 3.136 1.00 1.43 C ATOM 1013 CD GLU A 68 13.924 -7.831 3.578 1.00 2.13 C ATOM 1014 OE1 GLU A 68 13.880 -6.825 4.318 1.00 2.59 O ATOM 1015 OE2 GLU A 68 14.992 -8.345 3.185 1.00 2.90 O ATOM 0 H GLU A 68 9.942 -8.619 2.977 1.00 0.45 H new ATOM 0 HA GLU A 68 11.133 -6.142 2.956 1.00 0.45 H new ATOM 0 HB2 GLU A 68 11.720 -8.553 1.194 1.00 0.49 H new ATOM 0 HB3 GLU A 68 12.809 -7.198 1.418 1.00 0.49 H new ATOM 0 HG2 GLU A 68 11.895 -8.402 3.953 1.00 1.43 H new ATOM 0 HG3 GLU A 68 12.776 -9.516 2.926 1.00 1.43 H new ATOM 1022 N GLU A 69 9.750 -6.876 0.031 1.00 0.44 N ATOM 1023 CA GLU A 69 9.263 -6.308 -1.228 1.00 0.43 C ATOM 1024 C GLU A 69 8.173 -5.264 -0.972 1.00 0.41 C ATOM 1025 O GLU A 69 8.093 -4.258 -1.677 1.00 0.41 O ATOM 1026 CB GLU A 69 8.722 -7.414 -2.136 1.00 0.46 C ATOM 1027 CG GLU A 69 9.798 -8.354 -2.661 1.00 0.76 C ATOM 1028 CD GLU A 69 9.866 -9.657 -1.885 1.00 1.07 C ATOM 1029 OE1 GLU A 69 10.401 -9.651 -0.756 1.00 1.70 O ATOM 1030 OE2 GLU A 69 9.383 -10.684 -2.405 1.00 1.84 O ATOM 0 H GLU A 69 9.546 -7.868 0.148 1.00 0.44 H new ATOM 0 HA GLU A 69 10.101 -5.818 -1.723 1.00 0.43 H new ATOM 0 HB2 GLU A 69 7.982 -7.994 -1.586 1.00 0.46 H new ATOM 0 HB3 GLU A 69 8.206 -6.958 -2.981 1.00 0.46 H new ATOM 0 HG2 GLU A 69 9.604 -8.571 -3.711 1.00 0.76 H new ATOM 0 HG3 GLU A 69 10.766 -7.855 -2.612 1.00 0.76 H new ATOM 1037 N ALA A 70 7.352 -5.502 0.057 1.00 0.41 N ATOM 1038 CA ALA A 70 6.282 -4.574 0.431 1.00 0.41 C ATOM 1039 C ALA A 70 6.851 -3.196 0.772 1.00 0.40 C ATOM 1040 O ALA A 70 6.316 -2.167 0.353 1.00 0.42 O ATOM 1041 CB ALA A 70 5.515 -5.123 1.626 1.00 0.44 C ATOM 0 H ALA A 70 7.410 -6.332 0.646 1.00 0.41 H new ATOM 0 HA ALA A 70 5.607 -4.469 -0.418 1.00 0.41 H new ATOM 0 HB1 ALA A 70 4.721 -4.428 1.899 1.00 0.44 H new ATOM 0 HB2 ALA A 70 5.080 -6.088 1.367 1.00 0.44 H new ATOM 0 HB3 ALA A 70 6.195 -5.246 2.469 1.00 0.44 H new ATOM 1047 N VAL A 71 7.954 -3.195 1.521 1.00 0.40 N ATOM 1048 CA VAL A 71 8.620 -1.958 1.918 1.00 0.42 C ATOM 1049 C VAL A 71 9.490 -1.418 0.784 1.00 0.41 C ATOM 1050 O VAL A 71 9.603 -0.206 0.608 1.00 0.42 O ATOM 1051 CB VAL A 71 9.487 -2.166 3.182 1.00 0.48 C ATOM 1052 CG1 VAL A 71 10.413 -0.977 3.416 1.00 0.52 C ATOM 1053 CG2 VAL A 71 8.605 -2.404 4.400 1.00 0.50 C ATOM 0 H VAL A 71 8.405 -4.042 1.865 1.00 0.40 H new ATOM 0 HA VAL A 71 7.840 -1.231 2.146 1.00 0.42 H new ATOM 0 HB VAL A 71 10.107 -3.048 3.023 1.00 0.48 H new ATOM 0 HG11 VAL A 71 11.010 -1.151 4.311 1.00 0.52 H new ATOM 0 HG12 VAL A 71 11.073 -0.856 2.557 1.00 0.52 H new ATOM 0 HG13 VAL A 71 9.818 -0.073 3.547 1.00 0.52 H new ATOM 0 HG21 VAL A 71 9.231 -2.548 5.280 1.00 0.50 H new ATOM 0 HG22 VAL A 71 7.956 -1.542 4.554 1.00 0.50 H new ATOM 0 HG23 VAL A 71 7.995 -3.293 4.239 1.00 0.50 H new ATOM 1063 N THR A 72 10.099 -2.326 0.016 1.00 0.43 N ATOM 1064 CA THR A 72 10.955 -1.944 -1.103 1.00 0.47 C ATOM 1065 C THR A 72 10.161 -1.201 -2.179 1.00 0.42 C ATOM 1066 O THR A 72 10.654 -0.236 -2.761 1.00 0.44 O ATOM 1067 CB THR A 72 11.631 -3.181 -1.709 1.00 0.53 C ATOM 1068 OG1 THR A 72 12.544 -3.753 -0.789 1.00 0.60 O ATOM 1069 CG2 THR A 72 12.396 -2.890 -2.985 1.00 0.61 C ATOM 0 H THR A 72 10.013 -3.333 0.152 1.00 0.43 H new ATOM 0 HA THR A 72 11.723 -1.272 -0.720 1.00 0.47 H new ATOM 0 HB THR A 72 10.815 -3.865 -1.942 1.00 0.53 H new ATOM 0 HG1 THR A 72 12.049 -4.235 -0.094 1.00 0.60 H new ATOM 0 HG21 THR A 72 12.847 -3.810 -3.357 1.00 0.61 H new ATOM 0 HG22 THR A 72 11.713 -2.492 -3.736 1.00 0.61 H new ATOM 0 HG23 THR A 72 13.178 -2.159 -2.782 1.00 0.61 H new ATOM 1077 N ALA A 73 8.936 -1.661 -2.444 1.00 0.37 N ATOM 1078 CA ALA A 73 8.077 -1.051 -3.455 1.00 0.36 C ATOM 1079 C ALA A 73 7.502 0.268 -2.963 1.00 0.34 C ATOM 1080 O ALA A 73 7.395 1.228 -3.728 1.00 0.36 O ATOM 1081 CB ALA A 73 6.957 -2.004 -3.843 1.00 0.41 C ATOM 0 H ALA A 73 8.517 -2.459 -1.967 1.00 0.37 H new ATOM 0 HA ALA A 73 8.686 -0.846 -4.335 1.00 0.36 H new ATOM 0 HB1 ALA A 73 6.325 -1.535 -4.597 1.00 0.41 H new ATOM 0 HB2 ALA A 73 7.384 -2.922 -4.247 1.00 0.41 H new ATOM 0 HB3 ALA A 73 6.358 -2.239 -2.963 1.00 0.41 H new ATOM 1087 N LEU A 74 7.163 0.328 -1.671 1.00 0.33 N ATOM 1088 CA LEU A 74 6.638 1.551 -1.080 1.00 0.37 C ATOM 1089 C LEU A 74 7.738 2.602 -1.017 1.00 0.38 C ATOM 1090 O LEU A 74 7.488 3.798 -1.176 1.00 0.44 O ATOM 1091 CB LEU A 74 6.127 1.275 0.333 1.00 0.41 C ATOM 1092 CG LEU A 74 4.647 0.922 0.449 1.00 0.61 C ATOM 1093 CD1 LEU A 74 3.777 2.124 0.106 1.00 1.73 C ATOM 1094 CD2 LEU A 74 4.293 -0.266 -0.434 1.00 1.13 C ATOM 0 H LEU A 74 7.244 -0.455 -1.022 1.00 0.33 H new ATOM 0 HA LEU A 74 5.815 1.914 -1.696 1.00 0.37 H new ATOM 0 HB2 LEU A 74 6.710 0.457 0.756 1.00 0.41 H new ATOM 0 HB3 LEU A 74 6.320 2.155 0.947 1.00 0.41 H new ATOM 0 HG LEU A 74 4.452 0.640 1.484 1.00 0.61 H new ATOM 0 HD11 LEU A 74 2.726 1.850 0.195 1.00 1.73 H new ATOM 0 HD12 LEU A 74 3.998 2.941 0.793 1.00 1.73 H new ATOM 0 HD13 LEU A 74 3.983 2.443 -0.916 1.00 1.73 H new ATOM 0 HD21 LEU A 74 3.232 -0.493 -0.330 1.00 1.13 H new ATOM 0 HD22 LEU A 74 4.512 -0.024 -1.474 1.00 1.13 H new ATOM 0 HD23 LEU A 74 4.881 -1.132 -0.131 1.00 1.13 H new ATOM 1106 N LYS A 75 8.962 2.128 -0.785 1.00 0.38 N ATOM 1107 CA LYS A 75 10.128 3.013 -0.697 1.00 0.47 C ATOM 1108 C LYS A 75 10.705 3.344 -2.080 1.00 0.49 C ATOM 1109 O LYS A 75 11.487 4.288 -2.213 1.00 0.59 O ATOM 1110 CB LYS A 75 11.211 2.393 0.198 1.00 0.57 C ATOM 1111 CG LYS A 75 12.041 1.312 -0.482 1.00 0.64 C ATOM 1112 CD LYS A 75 13.490 1.346 -0.024 1.00 1.05 C ATOM 1113 CE LYS A 75 13.653 0.748 1.367 1.00 0.88 C ATOM 1114 NZ LYS A 75 14.008 1.780 2.381 1.00 1.44 N ATOM 0 H LYS A 75 9.174 1.139 -0.655 1.00 0.38 H new ATOM 0 HA LYS A 75 9.790 3.948 -0.250 1.00 0.47 H new ATOM 0 HB2 LYS A 75 11.877 3.184 0.543 1.00 0.57 H new ATOM 0 HB3 LYS A 75 10.736 1.968 1.082 1.00 0.57 H new ATOM 0 HG2 LYS A 75 11.613 0.333 -0.264 1.00 0.64 H new ATOM 0 HG3 LYS A 75 11.998 1.445 -1.563 1.00 0.64 H new ATOM 0 HD2 LYS A 75 14.109 0.795 -0.732 1.00 1.05 H new ATOM 0 HD3 LYS A 75 13.847 2.376 -0.022 1.00 1.05 H new ATOM 0 HE2 LYS A 75 12.726 0.255 1.661 1.00 0.88 H new ATOM 0 HE3 LYS A 75 14.428 -0.018 1.343 1.00 0.88 H new ATOM 0 HZ1 LYS A 75 14.109 1.330 3.313 1.00 1.44 H new ATOM 0 HZ2 LYS A 75 14.906 2.233 2.116 1.00 1.44 H new ATOM 0 HZ3 LYS A 75 13.257 2.498 2.423 1.00 1.44 H new ATOM 1128 N ASN A 76 10.325 2.570 -3.103 1.00 0.48 N ATOM 1129 CA ASN A 76 10.816 2.795 -4.465 1.00 0.59 C ATOM 1130 C ASN A 76 10.036 3.919 -5.155 1.00 0.69 C ATOM 1131 O ASN A 76 9.391 3.706 -6.184 1.00 1.15 O ATOM 1132 CB ASN A 76 10.721 1.499 -5.283 1.00 0.64 C ATOM 1133 CG ASN A 76 11.465 1.586 -6.604 1.00 0.85 C ATOM 1134 OD1 ASN A 76 12.690 1.713 -6.632 1.00 0.90 O ATOM 1135 ND2 ASN A 76 10.728 1.517 -7.709 1.00 1.55 N ATOM 0 H ASN A 76 9.681 1.785 -3.013 1.00 0.48 H new ATOM 0 HA ASN A 76 11.861 3.099 -4.403 1.00 0.59 H new ATOM 0 HB2 ASN A 76 11.124 0.673 -4.697 1.00 0.64 H new ATOM 0 HB3 ASN A 76 9.673 1.271 -5.475 1.00 0.64 H new ATOM 0 HD21 ASN A 76 11.175 1.569 -8.624 1.00 1.55 H new ATOM 0 HD22 ASN A 76 9.716 1.412 -7.641 1.00 1.55 H new ATOM 1142 N THR A 77 10.098 5.118 -4.574 1.00 0.90 N ATOM 1143 CA THR A 77 9.398 6.278 -5.121 1.00 1.07 C ATOM 1144 C THR A 77 10.377 7.402 -5.458 1.00 0.80 C ATOM 1145 O THR A 77 11.045 7.943 -4.575 1.00 1.47 O ATOM 1146 CB THR A 77 8.341 6.775 -4.128 1.00 2.00 C ATOM 1147 OG1 THR A 77 8.919 7.028 -2.858 1.00 2.60 O ATOM 1148 CG2 THR A 77 7.204 5.795 -3.927 1.00 2.53 C ATOM 0 H THR A 77 10.627 5.310 -3.723 1.00 0.90 H new ATOM 0 HA THR A 77 8.903 5.972 -6.043 1.00 1.07 H new ATOM 0 HB THR A 77 7.942 7.689 -4.567 1.00 2.00 H new ATOM 0 HG1 THR A 77 9.813 7.412 -2.976 1.00 2.60 H new ATOM 0 HG21 THR A 77 6.491 6.207 -3.213 1.00 2.53 H new ATOM 0 HG22 THR A 77 6.704 5.618 -4.879 1.00 2.53 H new ATOM 0 HG23 THR A 77 7.598 4.854 -3.544 1.00 2.53 H new ATOM 1156 N SER A 78 10.452 7.749 -6.743 1.00 1.14 N ATOM 1157 CA SER A 78 11.342 8.812 -7.205 1.00 1.74 C ATOM 1158 C SER A 78 10.612 10.157 -7.203 1.00 1.42 C ATOM 1159 O SER A 78 10.686 10.904 -6.226 1.00 1.44 O ATOM 1160 CB SER A 78 11.884 8.491 -8.603 1.00 2.76 C ATOM 1161 OG SER A 78 12.877 7.481 -8.547 1.00 3.36 O ATOM 0 H SER A 78 9.906 7.308 -7.483 1.00 1.14 H new ATOM 0 HA SER A 78 12.187 8.879 -6.520 1.00 1.74 H new ATOM 0 HB2 SER A 78 11.067 8.166 -9.247 1.00 2.76 H new ATOM 0 HB3 SER A 78 12.303 9.393 -9.050 1.00 2.76 H new ATOM 0 HG SER A 78 13.205 7.294 -9.451 1.00 3.36 H new ATOM 1167 N ASP A 79 9.895 10.453 -8.291 1.00 1.32 N ATOM 1168 CA ASP A 79 9.141 11.700 -8.397 1.00 1.18 C ATOM 1169 C ASP A 79 7.666 11.460 -8.075 1.00 0.99 C ATOM 1170 O ASP A 79 7.042 12.248 -7.363 1.00 0.92 O ATOM 1171 CB ASP A 79 9.293 12.308 -9.799 1.00 1.46 C ATOM 1172 CG ASP A 79 8.668 11.454 -10.890 1.00 1.61 C ATOM 1173 OD1 ASP A 79 9.292 10.448 -11.288 1.00 2.07 O ATOM 1174 OD2 ASP A 79 7.554 11.792 -11.342 1.00 2.23 O ATOM 0 H ASP A 79 9.822 9.846 -9.108 1.00 1.32 H new ATOM 0 HA ASP A 79 9.544 12.407 -7.672 1.00 1.18 H new ATOM 0 HB2 ASP A 79 8.834 13.296 -9.812 1.00 1.46 H new ATOM 0 HB3 ASP A 79 10.352 12.446 -10.016 1.00 1.46 H new ATOM 1179 N PHE A 80 7.120 10.361 -8.602 1.00 0.97 N ATOM 1180 CA PHE A 80 5.724 9.999 -8.372 1.00 0.85 C ATOM 1181 C PHE A 80 5.609 8.542 -7.932 1.00 0.82 C ATOM 1182 O PHE A 80 6.577 7.782 -8.021 1.00 0.92 O ATOM 1183 CB PHE A 80 4.901 10.231 -9.640 1.00 0.92 C ATOM 1184 CG PHE A 80 3.818 11.250 -9.460 1.00 0.94 C ATOM 1185 CD1 PHE A 80 4.085 12.598 -9.629 1.00 1.68 C ATOM 1186 CD2 PHE A 80 2.537 10.860 -9.110 1.00 1.39 C ATOM 1187 CE1 PHE A 80 3.092 13.541 -9.452 1.00 1.77 C ATOM 1188 CE2 PHE A 80 1.540 11.799 -8.933 1.00 1.43 C ATOM 1189 CZ PHE A 80 1.818 13.140 -9.103 1.00 1.14 C ATOM 0 H PHE A 80 7.629 9.705 -9.194 1.00 0.97 H new ATOM 0 HA PHE A 80 5.333 10.632 -7.575 1.00 0.85 H new ATOM 0 HB2 PHE A 80 5.565 10.553 -10.443 1.00 0.92 H new ATOM 0 HB3 PHE A 80 4.455 9.287 -9.954 1.00 0.92 H new ATOM 0 HD1 PHE A 80 5.081 12.915 -9.902 1.00 1.68 H new ATOM 0 HD2 PHE A 80 2.315 9.812 -8.974 1.00 1.39 H new ATOM 0 HE1 PHE A 80 3.312 14.590 -9.586 1.00 1.77 H new ATOM 0 HE2 PHE A 80 0.543 11.484 -8.662 1.00 1.43 H new ATOM 0 HZ PHE A 80 1.039 13.875 -8.963 1.00 1.14 H new ATOM 1199 N VAL A 81 4.417 8.145 -7.483 1.00 0.75 N ATOM 1200 CA VAL A 81 4.172 6.770 -7.062 1.00 0.77 C ATOM 1201 C VAL A 81 2.768 6.335 -7.488 1.00 0.65 C ATOM 1202 O VAL A 81 1.771 6.954 -7.100 1.00 0.59 O ATOM 1203 CB VAL A 81 4.348 6.586 -5.534 1.00 0.88 C ATOM 1204 CG1 VAL A 81 3.484 7.565 -4.754 1.00 1.19 C ATOM 1205 CG2 VAL A 81 4.043 5.152 -5.124 1.00 1.58 C ATOM 0 H VAL A 81 3.607 8.759 -7.403 1.00 0.75 H new ATOM 0 HA VAL A 81 4.914 6.140 -7.552 1.00 0.77 H new ATOM 0 HB VAL A 81 5.390 6.798 -5.293 1.00 0.88 H new ATOM 0 HG11 VAL A 81 3.631 7.409 -3.685 1.00 1.19 H new ATOM 0 HG12 VAL A 81 3.765 8.586 -5.014 1.00 1.19 H new ATOM 0 HG13 VAL A 81 2.435 7.403 -5.003 1.00 1.19 H new ATOM 0 HG21 VAL A 81 4.173 5.046 -4.047 1.00 1.58 H new ATOM 0 HG22 VAL A 81 3.015 4.908 -5.391 1.00 1.58 H new ATOM 0 HG23 VAL A 81 4.722 4.474 -5.640 1.00 1.58 H new ATOM 1215 N TYR A 82 2.697 5.278 -8.297 1.00 0.72 N ATOM 1216 CA TYR A 82 1.412 4.775 -8.777 1.00 0.69 C ATOM 1217 C TYR A 82 0.935 3.605 -7.922 1.00 0.67 C ATOM 1218 O TYR A 82 1.386 2.469 -8.084 1.00 0.77 O ATOM 1219 CB TYR A 82 1.522 4.357 -10.243 1.00 0.85 C ATOM 1220 CG TYR A 82 0.194 4.081 -10.908 1.00 0.93 C ATOM 1221 CD1 TYR A 82 -0.368 2.813 -10.862 1.00 1.57 C ATOM 1222 CD2 TYR A 82 -0.494 5.080 -11.586 1.00 1.41 C ATOM 1223 CE1 TYR A 82 -1.575 2.547 -11.471 1.00 1.72 C ATOM 1224 CE2 TYR A 82 -1.705 4.821 -12.197 1.00 1.55 C ATOM 1225 CZ TYR A 82 -2.242 3.553 -12.136 1.00 1.33 C ATOM 1226 OH TYR A 82 -3.448 3.290 -12.747 1.00 1.58 O ATOM 0 H TYR A 82 3.508 4.757 -8.631 1.00 0.72 H new ATOM 0 HA TYR A 82 0.677 5.576 -8.696 1.00 0.69 H new ATOM 0 HB2 TYR A 82 2.036 5.143 -10.796 1.00 0.85 H new ATOM 0 HB3 TYR A 82 2.142 3.463 -10.309 1.00 0.85 H new ATOM 0 HD1 TYR A 82 0.149 2.021 -10.340 1.00 1.57 H new ATOM 0 HD2 TYR A 82 -0.075 6.074 -11.636 1.00 1.41 H new ATOM 0 HE1 TYR A 82 -1.997 1.554 -11.427 1.00 1.72 H new ATOM 0 HE2 TYR A 82 -2.229 5.608 -12.720 1.00 1.55 H new ATOM 0 HH TYR A 82 -3.980 2.695 -12.178 1.00 1.58 H new ATOM 1236 N LEU A 83 0.036 3.912 -6.994 1.00 0.62 N ATOM 1237 CA LEU A 83 -0.504 2.914 -6.076 1.00 0.65 C ATOM 1238 C LEU A 83 -1.732 2.208 -6.648 1.00 0.66 C ATOM 1239 O LEU A 83 -2.683 2.851 -7.095 1.00 0.71 O ATOM 1240 CB LEU A 83 -0.860 3.575 -4.740 1.00 0.74 C ATOM 1241 CG LEU A 83 -0.977 2.620 -3.552 1.00 0.74 C ATOM 1242 CD1 LEU A 83 -0.573 3.316 -2.262 1.00 1.34 C ATOM 1243 CD2 LEU A 83 -2.395 2.076 -3.445 1.00 1.38 C ATOM 0 H LEU A 83 -0.337 4.851 -6.856 1.00 0.62 H new ATOM 0 HA LEU A 83 0.267 2.159 -5.924 1.00 0.65 H new ATOM 0 HB2 LEU A 83 -0.102 4.324 -4.510 1.00 0.74 H new ATOM 0 HB3 LEU A 83 -1.806 4.104 -4.855 1.00 0.74 H new ATOM 0 HG LEU A 83 -0.297 1.784 -3.715 1.00 0.74 H new ATOM 0 HD11 LEU A 83 -0.663 2.619 -1.429 1.00 1.34 H new ATOM 0 HD12 LEU A 83 0.460 3.656 -2.340 1.00 1.34 H new ATOM 0 HD13 LEU A 83 -1.225 4.172 -2.091 1.00 1.34 H new ATOM 0 HD21 LEU A 83 -2.461 1.398 -2.594 1.00 1.38 H new ATOM 0 HD22 LEU A 83 -3.092 2.902 -3.306 1.00 1.38 H new ATOM 0 HD23 LEU A 83 -2.648 1.538 -4.359 1.00 1.38 H new ATOM 1255 N LYS A 84 -1.702 0.875 -6.609 1.00 0.66 N ATOM 1256 CA LYS A 84 -2.805 0.047 -7.095 1.00 0.68 C ATOM 1257 C LYS A 84 -3.384 -0.767 -5.945 1.00 0.65 C ATOM 1258 O LYS A 84 -2.634 -1.304 -5.131 1.00 0.68 O ATOM 1259 CB LYS A 84 -2.331 -0.885 -8.214 1.00 0.69 C ATOM 1260 CG LYS A 84 -2.140 -0.187 -9.551 1.00 0.76 C ATOM 1261 CD LYS A 84 -3.233 -0.564 -10.540 1.00 0.99 C ATOM 1262 CE LYS A 84 -4.538 0.151 -10.230 1.00 1.18 C ATOM 1263 NZ LYS A 84 -5.573 -0.779 -9.701 1.00 1.56 N ATOM 0 H LYS A 84 -0.915 0.341 -6.241 1.00 0.66 H new ATOM 0 HA LYS A 84 -3.579 0.700 -7.499 1.00 0.68 H new ATOM 0 HB2 LYS A 84 -1.389 -1.345 -7.917 1.00 0.69 H new ATOM 0 HB3 LYS A 84 -3.055 -1.691 -8.335 1.00 0.69 H new ATOM 0 HG2 LYS A 84 -2.140 0.893 -9.402 1.00 0.76 H new ATOM 0 HG3 LYS A 84 -1.167 -0.452 -9.965 1.00 0.76 H new ATOM 0 HD2 LYS A 84 -2.912 -0.314 -11.551 1.00 0.99 H new ATOM 0 HD3 LYS A 84 -3.393 -1.642 -10.513 1.00 0.99 H new ATOM 0 HE2 LYS A 84 -4.354 0.941 -9.502 1.00 1.18 H new ATOM 0 HE3 LYS A 84 -4.911 0.632 -11.134 1.00 1.18 H new ATOM 0 HZ1 LYS A 84 -6.265 -0.244 -9.138 1.00 1.56 H new ATOM 0 HZ2 LYS A 84 -6.058 -1.246 -10.494 1.00 1.56 H new ATOM 0 HZ3 LYS A 84 -5.120 -1.498 -9.101 1.00 1.56 H new ATOM 1277 N VAL A 85 -4.716 -0.844 -5.861 1.00 0.76 N ATOM 1278 CA VAL A 85 -5.369 -1.585 -4.785 1.00 0.74 C ATOM 1279 C VAL A 85 -6.275 -2.689 -5.332 1.00 0.91 C ATOM 1280 O VAL A 85 -6.984 -2.494 -6.321 1.00 1.17 O ATOM 1281 CB VAL A 85 -6.206 -0.647 -3.885 1.00 0.99 C ATOM 1282 CG1 VAL A 85 -6.924 -1.433 -2.794 1.00 1.92 C ATOM 1283 CG2 VAL A 85 -5.327 0.438 -3.278 1.00 0.65 C ATOM 0 H VAL A 85 -5.357 -0.404 -6.522 1.00 0.76 H new ATOM 0 HA VAL A 85 -4.575 -2.039 -4.192 1.00 0.74 H new ATOM 0 HB VAL A 85 -6.963 -0.168 -4.507 1.00 0.99 H new ATOM 0 HG11 VAL A 85 -7.505 -0.749 -2.175 1.00 1.92 H new ATOM 0 HG12 VAL A 85 -7.590 -2.164 -3.251 1.00 1.92 H new ATOM 0 HG13 VAL A 85 -6.190 -1.948 -2.174 1.00 1.92 H new ATOM 0 HG21 VAL A 85 -5.934 1.088 -2.648 1.00 0.65 H new ATOM 0 HG22 VAL A 85 -4.544 -0.023 -2.676 1.00 0.65 H new ATOM 0 HG23 VAL A 85 -4.873 1.027 -4.075 1.00 0.65 H new ATOM 1293 N ALA A 86 -6.245 -3.849 -4.672 1.00 0.91 N ATOM 1294 CA ALA A 86 -7.060 -4.993 -5.077 1.00 1.24 C ATOM 1295 C ALA A 86 -8.425 -4.969 -4.393 1.00 1.27 C ATOM 1296 O ALA A 86 -8.549 -4.528 -3.250 1.00 1.09 O ATOM 1297 CB ALA A 86 -6.337 -6.296 -4.764 1.00 1.46 C ATOM 0 H ALA A 86 -5.662 -4.020 -3.852 1.00 0.91 H new ATOM 0 HA ALA A 86 -7.220 -4.927 -6.153 1.00 1.24 H new ATOM 0 HB1 ALA A 86 -6.956 -7.139 -5.071 1.00 1.46 H new ATOM 0 HB2 ALA A 86 -5.390 -6.326 -5.304 1.00 1.46 H new ATOM 0 HB3 ALA A 86 -6.146 -6.358 -3.693 1.00 1.46 H new ATOM 1303 N LYS A 87 -9.449 -5.447 -5.100 1.00 1.68 N ATOM 1304 CA LYS A 87 -10.806 -5.482 -4.560 1.00 1.86 C ATOM 1305 C LYS A 87 -11.087 -6.822 -3.877 1.00 1.91 C ATOM 1306 O LYS A 87 -11.050 -7.874 -4.521 1.00 2.04 O ATOM 1307 CB LYS A 87 -11.831 -5.234 -5.671 1.00 2.22 C ATOM 1308 CG LYS A 87 -13.163 -4.701 -5.162 1.00 2.53 C ATOM 1309 CD LYS A 87 -13.158 -3.184 -5.071 1.00 2.89 C ATOM 1310 CE LYS A 87 -14.446 -2.656 -4.461 1.00 3.28 C ATOM 1311 NZ LYS A 87 -14.520 -1.169 -4.516 1.00 4.20 N ATOM 0 H LYS A 87 -9.364 -5.815 -6.047 1.00 1.68 H new ATOM 0 HA LYS A 87 -10.893 -4.690 -3.816 1.00 1.86 H new ATOM 0 HB2 LYS A 87 -11.415 -4.525 -6.386 1.00 2.22 H new ATOM 0 HB3 LYS A 87 -12.004 -6.166 -6.209 1.00 2.22 H new ATOM 0 HG2 LYS A 87 -13.964 -5.024 -5.828 1.00 2.53 H new ATOM 0 HG3 LYS A 87 -13.374 -5.125 -4.180 1.00 2.53 H new ATOM 0 HD2 LYS A 87 -12.309 -2.858 -4.470 1.00 2.89 H new ATOM 0 HD3 LYS A 87 -13.025 -2.760 -6.066 1.00 2.89 H new ATOM 0 HE2 LYS A 87 -15.299 -3.081 -4.990 1.00 3.28 H new ATOM 0 HE3 LYS A 87 -14.518 -2.985 -3.424 1.00 3.28 H new ATOM 0 HZ1 LYS A 87 -14.631 -0.791 -3.553 1.00 4.20 H new ATOM 0 HZ2 LYS A 87 -13.646 -0.793 -4.937 1.00 4.20 H new ATOM 0 HZ3 LYS A 87 -15.335 -0.883 -5.096 1.00 4.20 H new ATOM 1325 N PRO A 88 -11.375 -6.802 -2.559 1.00 1.88 N ATOM 1326 CA PRO A 88 -11.663 -8.022 -1.794 1.00 2.01 C ATOM 1327 C PRO A 88 -13.002 -8.650 -2.183 1.00 2.20 C ATOM 1328 O PRO A 88 -13.888 -7.972 -2.707 1.00 2.28 O ATOM 1329 CB PRO A 88 -11.698 -7.540 -0.342 1.00 1.98 C ATOM 1330 CG PRO A 88 -12.020 -6.087 -0.420 1.00 1.91 C ATOM 1331 CD PRO A 88 -11.439 -5.592 -1.717 1.00 1.79 C ATOM 0 HA PRO A 88 -10.921 -8.799 -1.977 1.00 2.01 H new ATOM 0 HB2 PRO A 88 -12.450 -8.080 0.234 1.00 1.98 H new ATOM 0 HB3 PRO A 88 -10.740 -7.705 0.151 1.00 1.98 H new ATOM 0 HG2 PRO A 88 -13.098 -5.926 -0.391 1.00 1.91 H new ATOM 0 HG3 PRO A 88 -11.594 -5.549 0.427 1.00 1.91 H new ATOM 0 HD2 PRO A 88 -12.066 -4.823 -2.169 1.00 1.79 H new ATOM 0 HD3 PRO A 88 -10.452 -5.153 -1.571 1.00 1.79 H new ATOM 1339 N THR A 89 -13.137 -9.953 -1.927 1.00 2.38 N ATOM 1340 CA THR A 89 -14.364 -10.677 -2.254 1.00 2.59 C ATOM 1341 C THR A 89 -14.782 -11.600 -1.107 1.00 2.77 C ATOM 1342 O THR A 89 -13.935 -12.148 -0.398 1.00 3.51 O ATOM 1343 CB THR A 89 -14.175 -11.492 -3.539 1.00 3.08 C ATOM 1344 OG1 THR A 89 -13.542 -10.713 -4.540 1.00 3.51 O ATOM 1345 CG2 THR A 89 -15.473 -12.011 -4.119 1.00 3.88 C ATOM 0 H THR A 89 -12.412 -10.526 -1.495 1.00 2.38 H new ATOM 0 HA THR A 89 -15.155 -9.943 -2.409 1.00 2.59 H new ATOM 0 HB THR A 89 -13.559 -12.343 -3.249 1.00 3.08 H new ATOM 0 HG1 THR A 89 -13.429 -11.251 -5.351 1.00 3.51 H new ATOM 0 HG21 THR A 89 -15.265 -12.578 -5.026 1.00 3.88 H new ATOM 0 HG22 THR A 89 -15.964 -12.657 -3.391 1.00 3.88 H new ATOM 0 HG23 THR A 89 -16.126 -11.172 -4.358 1.00 3.88 H new ATOM 1353 N GLY A 90 -16.094 -11.768 -0.940 1.00 2.75 N ATOM 1354 CA GLY A 90 -16.610 -12.626 0.115 1.00 3.54 C ATOM 1355 C GLY A 90 -17.924 -12.126 0.689 1.00 4.20 C ATOM 1356 O GLY A 90 -18.047 -10.951 1.041 1.00 4.69 O ATOM 0 H GLY A 90 -16.808 -11.325 -1.517 1.00 2.75 H new ATOM 0 HA2 GLY A 90 -16.750 -13.633 -0.278 1.00 3.54 H new ATOM 0 HA3 GLY A 90 -15.872 -12.695 0.914 1.00 3.54 H new ATOM 1360 N SER A 91 -18.905 -13.024 0.789 1.00 4.69 N ATOM 1361 CA SER A 91 -20.219 -12.676 1.330 1.00 5.64 C ATOM 1362 C SER A 91 -20.194 -12.629 2.860 1.00 5.73 C ATOM 1363 O SER A 91 -20.873 -11.801 3.471 1.00 6.47 O ATOM 1364 CB SER A 91 -21.276 -13.678 0.855 1.00 6.57 C ATOM 1365 OG SER A 91 -20.917 -15.007 1.197 1.00 7.06 O ATOM 0 H SER A 91 -18.814 -13.999 0.502 1.00 4.69 H new ATOM 0 HA SER A 91 -20.478 -11.683 0.962 1.00 5.64 H new ATOM 0 HB2 SER A 91 -22.239 -13.433 1.302 1.00 6.57 H new ATOM 0 HB3 SER A 91 -21.396 -13.598 -0.225 1.00 6.57 H new ATOM 0 HG SER A 91 -21.610 -15.624 0.883 1.00 7.06 H new ATOM 1371 N HIS A 92 -19.410 -13.522 3.471 1.00 5.26 N ATOM 1372 CA HIS A 92 -19.297 -13.584 4.929 1.00 5.60 C ATOM 1373 C HIS A 92 -18.711 -12.290 5.488 1.00 5.37 C ATOM 1374 O HIS A 92 -19.394 -11.535 6.180 1.00 5.46 O ATOM 1375 CB HIS A 92 -18.423 -14.772 5.347 1.00 5.86 C ATOM 1376 CG HIS A 92 -19.206 -15.994 5.720 1.00 6.59 C ATOM 1377 ND1 HIS A 92 -20.157 -16.005 6.719 1.00 7.09 N ATOM 1378 CD2 HIS A 92 -19.173 -17.253 5.221 1.00 7.14 C ATOM 1379 CE1 HIS A 92 -20.672 -17.217 6.820 1.00 7.83 C ATOM 1380 NE2 HIS A 92 -20.094 -17.992 5.922 1.00 7.84 N ATOM 0 H HIS A 92 -18.844 -14.212 2.977 1.00 5.26 H new ATOM 0 HA HIS A 92 -20.299 -13.715 5.337 1.00 5.60 H new ATOM 0 HB2 HIS A 92 -17.747 -15.020 4.529 1.00 5.86 H new ATOM 0 HB3 HIS A 92 -17.803 -14.476 6.193 1.00 5.86 H new ATOM 0 HD2 HIS A 92 -18.541 -17.609 4.421 1.00 7.14 H new ATOM 0 HE1 HIS A 92 -21.437 -17.522 7.519 1.00 7.83 H new ATOM 0 HE2 HIS A 92 -20.298 -18.980 5.773 1.00 7.84 H new TER 1389 HIS A 92 ATOM 1390 N ARG B 301 2.469 -12.395 11.484 1.00 1.88 N ATOM 1391 CA ARG B 301 2.085 -10.971 11.273 1.00 1.27 C ATOM 1392 C ARG B 301 3.233 -10.030 11.634 1.00 1.29 C ATOM 1393 O ARG B 301 3.747 -10.062 12.754 1.00 2.06 O ATOM 1394 CB ARG B 301 0.856 -10.656 12.134 1.00 1.61 C ATOM 1395 CG ARG B 301 -0.389 -11.436 11.737 1.00 2.13 C ATOM 1396 CD ARG B 301 -1.638 -10.567 11.791 1.00 2.72 C ATOM 1397 NE ARG B 301 -2.599 -11.049 12.785 1.00 3.09 N ATOM 1398 CZ ARG B 301 -3.477 -12.032 12.565 1.00 3.70 C ATOM 1399 NH1 ARG B 301 -3.529 -12.647 11.384 1.00 4.18 N ATOM 1400 NH2 ARG B 301 -4.309 -12.403 13.532 1.00 4.22 N ATOM 0 HA ARG B 301 1.852 -10.820 10.219 1.00 1.27 H new ATOM 0 HB2 ARG B 301 1.090 -10.870 13.177 1.00 1.61 H new ATOM 0 HB3 ARG B 301 0.641 -9.589 12.068 1.00 1.61 H new ATOM 0 HG2 ARG B 301 -0.264 -11.832 10.729 1.00 2.13 H new ATOM 0 HG3 ARG B 301 -0.511 -12.291 12.403 1.00 2.13 H new ATOM 0 HD2 ARG B 301 -1.356 -9.541 12.027 1.00 2.72 H new ATOM 0 HD3 ARG B 301 -2.110 -10.550 10.809 1.00 2.72 H new ATOM 0 HE ARG B 301 -2.598 -10.606 13.704 1.00 3.09 H new ATOM 0 HH11 ARG B 301 -2.894 -12.369 10.636 1.00 4.18 H new ATOM 0 HH12 ARG B 301 -4.204 -13.396 11.228 1.00 4.18 H new ATOM 0 HH21 ARG B 301 -4.276 -11.938 14.439 1.00 4.22 H new ATOM 0 HH22 ARG B 301 -4.980 -13.153 13.367 1.00 4.22 H new ATOM 1416 N ARG B 302 3.629 -9.193 10.675 1.00 1.12 N ATOM 1417 CA ARG B 302 4.715 -8.238 10.884 1.00 1.03 C ATOM 1418 C ARG B 302 4.499 -6.986 10.035 1.00 1.02 C ATOM 1419 O ARG B 302 4.409 -7.063 8.807 1.00 1.45 O ATOM 1420 CB ARG B 302 6.066 -8.889 10.555 1.00 1.13 C ATOM 1421 CG ARG B 302 7.215 -7.900 10.387 1.00 1.12 C ATOM 1422 CD ARG B 302 8.185 -8.351 9.303 1.00 1.50 C ATOM 1423 NE ARG B 302 8.686 -9.706 9.537 1.00 2.09 N ATOM 1424 CZ ARG B 302 9.673 -10.006 10.387 1.00 2.72 C ATOM 1425 NH1 ARG B 302 10.277 -9.049 11.090 1.00 2.99 N ATOM 1426 NH2 ARG B 302 10.057 -11.268 10.536 1.00 3.57 N ATOM 0 H ARG B 302 3.213 -9.158 9.745 1.00 1.12 H new ATOM 0 HA ARG B 302 4.720 -7.941 11.933 1.00 1.03 H new ATOM 0 HB2 ARG B 302 6.320 -9.592 11.348 1.00 1.13 H new ATOM 0 HB3 ARG B 302 5.963 -9.468 9.637 1.00 1.13 H new ATOM 0 HG2 ARG B 302 6.817 -6.917 10.134 1.00 1.12 H new ATOM 0 HG3 ARG B 302 7.747 -7.795 11.332 1.00 1.12 H new ATOM 0 HD2 ARG B 302 7.688 -8.312 8.334 1.00 1.50 H new ATOM 0 HD3 ARG B 302 9.025 -7.658 9.258 1.00 1.50 H new ATOM 0 HE ARG B 302 8.254 -10.471 9.018 1.00 2.09 H new ATOM 0 HH11 ARG B 302 9.987 -8.077 10.982 1.00 2.99 H new ATOM 0 HH12 ARG B 302 11.029 -9.288 11.736 1.00 2.99 H new ATOM 0 HH21 ARG B 302 9.599 -12.007 10.002 1.00 3.57 H new ATOM 0 HH22 ARG B 302 10.810 -11.499 11.184 1.00 3.57 H new ATOM 1440 N GLU B 303 4.413 -5.837 10.702 1.00 0.69 N ATOM 1441 CA GLU B 303 4.204 -4.563 10.022 1.00 0.66 C ATOM 1442 C GLU B 303 5.415 -3.650 10.185 1.00 0.71 C ATOM 1443 O GLU B 303 6.108 -3.697 11.204 1.00 1.16 O ATOM 1444 CB GLU B 303 2.955 -3.870 10.571 1.00 0.71 C ATOM 1445 CG GLU B 303 1.653 -4.477 10.070 1.00 1.12 C ATOM 1446 CD GLU B 303 1.056 -5.472 11.046 1.00 1.54 C ATOM 1447 OE1 GLU B 303 1.385 -6.674 10.945 1.00 1.99 O ATOM 1448 OE2 GLU B 303 0.256 -5.053 11.908 1.00 2.08 O ATOM 0 H GLU B 303 4.485 -5.763 11.717 1.00 0.69 H new ATOM 0 HA GLU B 303 4.066 -4.766 8.960 1.00 0.66 H new ATOM 0 HB2 GLU B 303 2.973 -3.916 11.660 1.00 0.71 H new ATOM 0 HB3 GLU B 303 2.984 -2.816 10.296 1.00 0.71 H new ATOM 0 HG2 GLU B 303 0.933 -3.680 9.885 1.00 1.12 H new ATOM 0 HG3 GLU B 303 1.832 -4.973 9.116 1.00 1.12 H new ATOM 1455 N THR B 304 5.665 -2.818 9.175 1.00 0.55 N ATOM 1456 CA THR B 304 6.793 -1.892 9.205 1.00 0.55 C ATOM 1457 C THR B 304 6.435 -0.572 8.523 1.00 0.53 C ATOM 1458 O THR B 304 5.717 -0.553 7.519 1.00 0.54 O ATOM 1459 CB THR B 304 8.022 -2.534 8.544 1.00 0.55 C ATOM 1460 OG1 THR B 304 8.947 -2.967 9.526 1.00 0.65 O ATOM 1461 CG2 THR B 304 8.767 -1.621 7.591 1.00 0.56 C ATOM 0 H THR B 304 5.101 -2.767 8.327 1.00 0.55 H new ATOM 0 HA THR B 304 7.033 -1.673 10.246 1.00 0.55 H new ATOM 0 HB THR B 304 7.621 -3.367 7.967 1.00 0.55 H new ATOM 0 HG1 THR B 304 9.723 -3.375 9.087 1.00 0.65 H new ATOM 0 HG21 THR B 304 9.620 -2.153 7.169 1.00 0.56 H new ATOM 0 HG22 THR B 304 8.099 -1.311 6.787 1.00 0.56 H new ATOM 0 HG23 THR B 304 9.119 -0.741 8.130 1.00 0.56 H new ATOM 1469 N GLN B 305 6.946 0.532 9.071 1.00 0.58 N ATOM 1470 CA GLN B 305 6.685 1.858 8.515 1.00 0.60 C ATOM 1471 C GLN B 305 7.472 2.075 7.226 1.00 0.58 C ATOM 1472 O GLN B 305 8.528 1.473 7.019 1.00 0.74 O ATOM 1473 CB GLN B 305 7.031 2.951 9.527 1.00 0.76 C ATOM 1474 CG GLN B 305 5.843 3.413 10.354 1.00 0.89 C ATOM 1475 CD GLN B 305 6.238 4.360 11.473 1.00 1.13 C ATOM 1476 OE1 GLN B 305 6.972 5.325 11.255 1.00 1.67 O ATOM 1477 NE2 GLN B 305 5.752 4.090 12.681 1.00 1.50 N ATOM 0 H GLN B 305 7.542 0.533 9.899 1.00 0.58 H new ATOM 0 HA GLN B 305 5.621 1.916 8.287 1.00 0.60 H new ATOM 0 HB2 GLN B 305 7.808 2.582 10.197 1.00 0.76 H new ATOM 0 HB3 GLN B 305 7.448 3.807 8.996 1.00 0.76 H new ATOM 0 HG2 GLN B 305 5.123 3.908 9.702 1.00 0.89 H new ATOM 0 HG3 GLN B 305 5.342 2.543 10.780 1.00 0.89 H new ATOM 0 HE21 GLN B 305 5.147 3.280 12.818 1.00 1.50 H new ATOM 0 HE22 GLN B 305 5.984 4.693 13.470 1.00 1.50 H new ATOM 1486 N VAL B 306 6.942 2.936 6.361 1.00 0.58 N ATOM 1487 CA VAL B 306 7.578 3.239 5.082 1.00 0.63 C ATOM 1488 C VAL B 306 7.405 4.713 4.708 1.00 0.77 C ATOM 1489 O VAL B 306 8.265 5.238 3.969 1.00 1.47 O ATOM 1490 CB VAL B 306 7.005 2.354 3.956 1.00 0.54 C ATOM 1491 CG1 VAL B 306 7.491 0.920 4.105 1.00 0.51 C ATOM 1492 CG2 VAL B 306 5.482 2.409 3.951 1.00 0.49 C ATOM 1493 OXT VAL B 306 6.412 5.330 5.153 1.00 1.14 O ATOM 0 H VAL B 306 6.069 3.438 6.524 1.00 0.58 H new ATOM 0 HA VAL B 306 8.641 3.029 5.196 1.00 0.63 H new ATOM 0 HB VAL B 306 7.362 2.739 3.001 1.00 0.54 H new ATOM 0 HG11 VAL B 306 7.077 0.310 3.302 1.00 0.51 H new ATOM 0 HG12 VAL B 306 8.580 0.898 4.053 1.00 0.51 H new ATOM 0 HG13 VAL B 306 7.165 0.524 5.067 1.00 0.51 H new ATOM 0 HG21 VAL B 306 5.098 1.778 3.149 1.00 0.49 H new ATOM 0 HG22 VAL B 306 5.102 2.052 4.908 1.00 0.49 H new ATOM 0 HG23 VAL B 306 5.156 3.437 3.792 1.00 0.49 H new TER 1503 VAL B 306