USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 GLN : amide:sc= -0.0492 K(o=-0.049,f=-0.86) USER MOD Single : A 6 GLN : amide:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.257 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.81 USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00337) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 146:sc= 0.417 USER MOD Single : A 39 CYS SG : rot -120:sc= -1.94! USER MOD Single : A 42 GLN : amide:sc= -0.0307 K(o=-0.031,f=-1.3) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 49 THR OG1 : rot 29:sc= 0.413 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 129:sc= 1 USER MOD Single : A 54 TYR OH : rot -60:sc= 1.22 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 0.81 (180deg=0.749) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -121:sc= 1.45 USER MOD Single : A 64 ASN : amide:sc= -0.0802 K(o=-0.08,f=-1.2) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -170:sc= -1.04 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 14.502 8.280 4.571 1.00 2.87 N ATOM 28 CA GLN A 3 13.054 8.406 4.684 1.00 2.29 C ATOM 29 C GLN A 3 12.345 7.281 3.941 1.00 1.97 C ATOM 30 O GLN A 3 12.875 6.722 2.981 1.00 2.17 O ATOM 31 CB GLN A 3 12.590 9.756 4.139 1.00 2.41 C ATOM 32 CG GLN A 3 12.419 10.819 5.212 1.00 3.17 C ATOM 33 CD GLN A 3 13.722 11.510 5.563 1.00 3.60 C ATOM 34 OE1 GLN A 3 14.547 11.785 4.693 1.00 3.44 O ATOM 35 NE2 GLN A 3 13.913 11.796 6.846 1.00 4.47 N ATOM 0 HA GLN A 3 12.797 8.339 5.741 1.00 2.29 H new ATOM 0 HB2 GLN A 3 13.312 10.108 3.402 1.00 2.41 H new ATOM 0 HB3 GLN A 3 11.642 9.622 3.618 1.00 2.41 H new ATOM 0 HG2 GLN A 3 11.699 11.562 4.870 1.00 3.17 H new ATOM 0 HG3 GLN A 3 12.002 10.361 6.109 1.00 3.17 H new ATOM 0 HE21 GLN A 3 13.202 11.550 7.535 1.00 4.47 H new ATOM 0 HE22 GLN A 3 14.771 12.262 7.142 1.00 4.47 H new ATOM 44 N VAL A 4 11.141 6.957 4.395 1.00 1.57 N ATOM 45 CA VAL A 4 10.347 5.901 3.783 1.00 1.29 C ATOM 46 C VAL A 4 9.157 6.474 3.024 1.00 1.28 C ATOM 47 O VAL A 4 8.564 7.472 3.435 1.00 1.44 O ATOM 48 CB VAL A 4 9.826 4.901 4.838 1.00 1.17 C ATOM 49 CG1 VAL A 4 10.979 4.188 5.522 1.00 1.39 C ATOM 50 CG2 VAL A 4 8.950 5.609 5.857 1.00 1.57 C ATOM 0 H VAL A 4 10.692 7.413 5.189 1.00 1.57 H new ATOM 0 HA VAL A 4 11.005 5.380 3.088 1.00 1.29 H new ATOM 0 HB VAL A 4 9.221 4.151 4.328 1.00 1.17 H new ATOM 0 HG11 VAL A 4 10.587 3.489 6.261 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.562 3.643 4.779 1.00 1.39 H new ATOM 0 HG13 VAL A 4 11.617 4.920 6.017 1.00 1.39 H new ATOM 0 HG21 VAL A 4 8.592 4.888 6.592 1.00 1.57 H new ATOM 0 HG22 VAL A 4 9.530 6.383 6.360 1.00 1.57 H new ATOM 0 HG23 VAL A 4 8.099 6.064 5.351 1.00 1.57 H new ATOM 60 N VAL A 5 8.798 5.818 1.929 1.00 1.14 N ATOM 61 CA VAL A 5 7.664 6.231 1.120 1.00 1.22 C ATOM 62 C VAL A 5 6.450 5.404 1.511 1.00 1.03 C ATOM 63 O VAL A 5 6.511 4.175 1.546 1.00 0.92 O ATOM 64 CB VAL A 5 7.940 6.050 -0.384 1.00 1.29 C ATOM 65 CG1 VAL A 5 9.141 6.881 -0.809 1.00 1.79 C ATOM 66 CG2 VAL A 5 8.155 4.579 -0.717 1.00 1.70 C ATOM 0 H VAL A 5 9.282 4.991 1.580 1.00 1.14 H new ATOM 0 HA VAL A 5 7.484 7.290 1.302 1.00 1.22 H new ATOM 0 HB VAL A 5 7.069 6.400 -0.939 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.322 6.741 -1.875 1.00 1.79 H new ATOM 0 HG12 VAL A 5 8.944 7.934 -0.610 1.00 1.79 H new ATOM 0 HG13 VAL A 5 10.020 6.564 -0.247 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.349 4.472 -1.784 1.00 1.70 H new ATOM 0 HG22 VAL A 5 9.007 4.199 -0.154 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.263 4.012 -0.451 1.00 1.70 H new ATOM 76 N GLN A 6 5.365 6.078 1.856 1.00 1.03 N ATOM 77 CA GLN A 6 4.167 5.403 2.298 1.00 0.85 C ATOM 78 C GLN A 6 3.127 5.277 1.193 1.00 0.83 C ATOM 79 O GLN A 6 2.984 6.163 0.350 1.00 0.94 O ATOM 80 CB GLN A 6 3.581 6.167 3.478 1.00 0.83 C ATOM 81 CG GLN A 6 4.521 6.253 4.667 1.00 1.45 C ATOM 82 CD GLN A 6 4.819 7.684 5.071 1.00 1.81 C ATOM 83 OE1 GLN A 6 4.328 8.168 6.091 1.00 2.26 O ATOM 84 NE2 GLN A 6 5.627 8.369 4.270 1.00 2.01 N ATOM 0 H GLN A 6 5.295 7.095 1.837 1.00 1.03 H new ATOM 0 HA GLN A 6 4.440 4.389 2.592 1.00 0.85 H new ATOM 0 HB2 GLN A 6 3.322 7.175 3.156 1.00 0.83 H new ATOM 0 HB3 GLN A 6 2.655 5.684 3.790 1.00 0.83 H new ATOM 0 HG2 GLN A 6 4.081 5.725 5.513 1.00 1.45 H new ATOM 0 HG3 GLN A 6 5.455 5.745 4.425 1.00 1.45 H new ATOM 0 HE21 GLN A 6 6.011 7.928 3.435 1.00 2.01 H new ATOM 0 HE22 GLN A 6 5.863 9.337 4.490 1.00 2.01 H new ATOM 93 N PHE A 7 2.391 4.169 1.221 1.00 0.74 N ATOM 94 CA PHE A 7 1.348 3.916 0.244 1.00 0.78 C ATOM 95 C PHE A 7 -0.016 4.266 0.839 1.00 0.62 C ATOM 96 O PHE A 7 -0.272 4.029 2.023 1.00 0.55 O ATOM 97 CB PHE A 7 1.383 2.449 -0.204 1.00 0.86 C ATOM 98 CG PHE A 7 0.138 2.005 -0.918 1.00 0.97 C ATOM 99 CD1 PHE A 7 -0.194 2.536 -2.152 1.00 1.14 C ATOM 100 CD2 PHE A 7 -0.706 1.069 -0.345 1.00 0.98 C ATOM 101 CE1 PHE A 7 -1.344 2.141 -2.803 1.00 1.29 C ATOM 102 CE2 PHE A 7 -1.859 0.671 -0.989 1.00 1.17 C ATOM 103 CZ PHE A 7 -2.180 1.208 -2.221 1.00 1.29 C ATOM 0 H PHE A 7 2.503 3.431 1.916 1.00 0.74 H new ATOM 0 HA PHE A 7 1.519 4.544 -0.631 1.00 0.78 H new ATOM 0 HB2 PHE A 7 2.240 2.299 -0.860 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.536 1.815 0.670 1.00 0.86 H new ATOM 0 HD1 PHE A 7 0.455 3.268 -2.610 1.00 1.14 H new ATOM 0 HD2 PHE A 7 -0.459 0.646 0.617 1.00 0.98 H new ATOM 0 HE1 PHE A 7 -1.591 2.561 -3.767 1.00 1.29 H new ATOM 0 HE2 PHE A 7 -2.510 -0.059 -0.531 1.00 1.17 H new ATOM 0 HZ PHE A 7 -3.082 0.899 -2.728 1.00 1.29 H new ATOM 113 N LYS A 8 -0.874 4.841 0.006 1.00 0.60 N ATOM 114 CA LYS A 8 -2.209 5.247 0.423 1.00 0.54 C ATOM 115 C LYS A 8 -3.276 4.691 -0.515 1.00 0.68 C ATOM 116 O LYS A 8 -3.036 4.512 -1.709 1.00 0.77 O ATOM 117 CB LYS A 8 -2.313 6.772 0.481 1.00 0.61 C ATOM 118 CG LYS A 8 -2.148 7.446 -0.870 1.00 1.40 C ATOM 119 CD LYS A 8 -0.739 7.985 -1.050 1.00 2.22 C ATOM 120 CE LYS A 8 -0.507 9.229 -0.207 1.00 1.88 C ATOM 121 NZ LYS A 8 -0.198 10.418 -1.049 1.00 2.42 N ATOM 0 H LYS A 8 -0.665 5.038 -0.973 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.381 4.839 1.419 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -3.282 7.046 0.898 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.553 7.154 1.163 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -2.371 6.733 -1.664 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -2.866 8.261 -0.962 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -0.016 7.217 -0.774 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -0.569 8.219 -2.101 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -1.393 9.430 0.395 1.00 1.88 H new ATOM 0 HE3 LYS A 8 0.315 9.050 0.486 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -0.046 11.246 -0.438 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 0.662 10.236 -1.605 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -0.994 10.604 -1.693 1.00 2.42 H new ATOM 135 N LEU A 9 -4.461 4.435 0.041 1.00 0.86 N ATOM 136 CA LEU A 9 -5.606 3.914 -0.717 1.00 1.06 C ATOM 137 C LEU A 9 -5.661 4.528 -2.117 1.00 1.74 C ATOM 138 O LEU A 9 -5.252 5.671 -2.321 1.00 2.24 O ATOM 139 CB LEU A 9 -6.906 4.181 0.044 1.00 1.28 C ATOM 140 CG LEU A 9 -8.158 3.436 -0.458 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.781 4.136 -1.649 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.852 1.985 -0.789 1.00 1.96 C ATOM 0 H LEU A 9 -4.657 4.582 1.031 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.483 2.837 -0.831 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.749 3.920 1.091 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -7.108 5.251 0.010 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.882 3.448 0.357 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.661 3.583 -1.976 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -9.072 5.147 -1.365 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -8.058 4.182 -2.463 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.759 1.493 -1.140 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -7.091 1.942 -1.569 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.486 1.478 0.103 1.00 1.96 H new ATOM 154 N SER A 10 -6.100 3.732 -3.084 1.00 2.11 N ATOM 155 CA SER A 10 -6.131 4.156 -4.478 1.00 2.83 C ATOM 156 C SER A 10 -6.863 5.484 -4.693 1.00 2.93 C ATOM 157 O SER A 10 -6.211 6.526 -4.758 1.00 3.26 O ATOM 158 CB SER A 10 -6.784 3.070 -5.334 1.00 3.76 C ATOM 159 OG SER A 10 -8.153 2.912 -5.001 1.00 4.49 O ATOM 0 H SER A 10 -6.441 2.784 -2.927 1.00 2.11 H new ATOM 0 HA SER A 10 -5.095 4.313 -4.779 1.00 2.83 H new ATOM 0 HB2 SER A 10 -6.691 3.329 -6.389 1.00 3.76 H new ATOM 0 HB3 SER A 10 -6.260 2.125 -5.190 1.00 3.76 H new ATOM 0 HG SER A 10 -8.548 2.213 -5.563 1.00 4.49 H new ATOM 165 N ASP A 11 -8.188 5.482 -4.857 1.00 3.22 N ATOM 166 CA ASP A 11 -8.868 6.753 -5.121 1.00 3.68 C ATOM 167 C ASP A 11 -10.156 6.989 -4.330 1.00 3.44 C ATOM 168 O ASP A 11 -10.519 8.142 -4.099 1.00 4.01 O ATOM 169 CB ASP A 11 -9.154 6.886 -6.616 1.00 4.18 C ATOM 170 CG ASP A 11 -8.620 8.182 -7.192 1.00 4.90 C ATOM 171 OD1 ASP A 11 -7.594 8.680 -6.684 1.00 5.41 O ATOM 172 OD2 ASP A 11 -9.229 8.700 -8.152 1.00 5.24 O ATOM 0 H ASP A 11 -8.788 4.658 -4.815 1.00 3.22 H new ATOM 0 HA ASP A 11 -8.175 7.521 -4.776 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -8.707 6.045 -7.145 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -10.230 6.833 -6.784 1.00 4.18 H new ATOM 177 N ILE A 12 -10.860 5.944 -3.916 1.00 2.82 N ATOM 178 CA ILE A 12 -12.096 6.166 -3.169 1.00 2.70 C ATOM 179 C ILE A 12 -11.792 6.829 -1.833 1.00 2.96 C ATOM 180 O ILE A 12 -11.137 6.245 -0.971 1.00 3.29 O ATOM 181 CB ILE A 12 -12.893 4.866 -2.941 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.174 3.975 -1.916 1.00 1.94 C ATOM 183 CG2 ILE A 12 -13.118 4.173 -4.269 1.00 3.25 C ATOM 184 CD1 ILE A 12 -12.259 2.475 -2.155 1.00 1.97 C ATOM 0 H ILE A 12 -10.612 4.968 -4.075 1.00 2.82 H new ATOM 0 HA ILE A 12 -12.718 6.825 -3.775 1.00 2.70 H new ATOM 0 HB ILE A 12 -13.873 5.094 -2.522 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -11.122 4.259 -1.893 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -12.584 4.189 -0.929 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -13.681 3.254 -4.109 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -13.679 4.831 -4.933 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -12.156 3.935 -4.723 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -11.716 1.950 -1.369 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -13.303 2.163 -2.144 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -11.819 2.235 -3.123 1.00 1.97 H new ATOM 196 N GLY A 13 -12.251 8.061 -1.678 1.00 3.15 N ATOM 197 CA GLY A 13 -11.994 8.785 -0.455 1.00 3.67 C ATOM 198 C GLY A 13 -13.245 9.043 0.361 1.00 3.84 C ATOM 199 O GLY A 13 -14.356 8.785 -0.095 1.00 3.63 O ATOM 0 H GLY A 13 -12.795 8.570 -2.375 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -11.283 8.222 0.150 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -11.523 9.738 -0.697 1.00 3.67 H new ATOM 203 N GLU A 14 -13.061 9.553 1.579 1.00 4.49 N ATOM 204 CA GLU A 14 -14.180 9.850 2.477 1.00 4.81 C ATOM 205 C GLU A 14 -15.357 10.470 1.722 1.00 4.15 C ATOM 206 O GLU A 14 -15.370 11.670 1.448 1.00 4.04 O ATOM 207 CB GLU A 14 -13.726 10.791 3.594 1.00 5.76 C ATOM 208 CG GLU A 14 -13.217 10.067 4.830 1.00 6.16 C ATOM 209 CD GLU A 14 -11.716 9.861 4.806 1.00 7.04 C ATOM 210 OE1 GLU A 14 -11.186 9.478 3.741 1.00 7.72 O ATOM 211 OE2 GLU A 14 -11.070 10.082 5.851 1.00 7.20 O ATOM 0 H GLU A 14 -12.144 9.770 1.969 1.00 4.49 H new ATOM 0 HA GLU A 14 -14.515 8.908 2.910 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -12.938 11.440 3.213 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -14.559 11.434 3.877 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -13.488 10.638 5.718 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -13.712 9.099 4.910 1.00 6.16 H new ATOM 218 N GLY A 15 -16.339 9.639 1.388 1.00 3.81 N ATOM 219 CA GLY A 15 -17.506 10.112 0.666 1.00 3.32 C ATOM 220 C GLY A 15 -18.194 9.001 -0.102 1.00 2.93 C ATOM 221 O GLY A 15 -19.386 9.083 -0.395 1.00 3.13 O ATOM 0 H GLY A 15 -16.347 8.642 1.606 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -18.211 10.556 1.369 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -17.208 10.899 -0.026 1.00 3.32 H new ATOM 225 N ILE A 16 -17.438 7.955 -0.422 1.00 2.53 N ATOM 226 CA ILE A 16 -17.973 6.815 -1.152 1.00 2.22 C ATOM 227 C ILE A 16 -17.631 5.514 -0.437 1.00 1.91 C ATOM 228 O ILE A 16 -17.265 5.517 0.738 1.00 1.88 O ATOM 229 CB ILE A 16 -17.444 6.770 -2.609 1.00 2.22 C ATOM 230 CG1 ILE A 16 -15.992 6.259 -2.686 1.00 2.32 C ATOM 231 CG2 ILE A 16 -17.557 8.144 -3.253 1.00 2.54 C ATOM 232 CD1 ILE A 16 -14.955 7.273 -2.263 1.00 2.22 C ATOM 0 H ILE A 16 -16.449 7.875 -0.185 1.00 2.53 H new ATOM 0 HA ILE A 16 -19.056 6.931 -1.188 1.00 2.22 H new ATOM 0 HB ILE A 16 -18.065 6.062 -3.159 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -15.896 5.374 -2.057 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -15.782 5.947 -3.709 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -17.182 8.098 -4.276 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -18.601 8.456 -3.263 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -16.969 8.863 -2.683 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -13.961 6.834 -2.347 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -15.020 8.150 -2.907 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -15.135 7.568 -1.229 1.00 2.22 H new ATOM 244 N ARG A 17 -17.727 4.406 -1.160 1.00 1.82 N ATOM 245 CA ARG A 17 -17.400 3.108 -0.597 1.00 1.64 C ATOM 246 C ARG A 17 -15.887 2.925 -0.575 1.00 1.22 C ATOM 247 O ARG A 17 -15.188 3.370 -1.485 1.00 1.14 O ATOM 248 CB ARG A 17 -18.056 1.991 -1.413 1.00 1.77 C ATOM 249 CG ARG A 17 -19.565 1.922 -1.246 1.00 2.27 C ATOM 250 CD ARG A 17 -19.974 0.757 -0.359 1.00 2.75 C ATOM 251 NE ARG A 17 -20.991 1.143 0.615 1.00 3.16 N ATOM 252 CZ ARG A 17 -21.231 0.470 1.736 1.00 3.76 C ATOM 253 NH1 ARG A 17 -20.532 -0.620 2.020 1.00 4.04 N ATOM 254 NH2 ARG A 17 -22.171 0.887 2.573 1.00 4.40 N ATOM 0 H ARG A 17 -18.028 4.382 -2.134 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.781 3.058 0.423 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -17.822 2.137 -2.467 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.622 1.035 -1.120 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -19.927 2.855 -0.814 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -20.036 1.819 -2.224 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -20.355 -0.055 -0.979 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -19.098 0.374 0.164 1.00 2.75 H new ATOM 0 HE ARG A 17 -21.549 1.976 0.425 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -19.809 -0.944 1.378 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -20.718 -1.135 2.881 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -22.711 1.725 2.357 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -22.354 0.370 3.433 1.00 4.40 H new ATOM 268 N GLU A 18 -15.383 2.275 0.465 1.00 1.16 N ATOM 269 CA GLU A 18 -13.950 2.044 0.593 1.00 0.91 C ATOM 270 C GLU A 18 -13.606 0.634 0.135 1.00 0.63 C ATOM 271 O GLU A 18 -14.504 -0.144 -0.184 1.00 0.66 O ATOM 272 CB GLU A 18 -13.507 2.300 2.032 1.00 1.29 C ATOM 273 CG GLU A 18 -13.795 3.723 2.487 1.00 1.64 C ATOM 274 CD GLU A 18 -13.344 4.760 1.477 1.00 1.83 C ATOM 275 OE1 GLU A 18 -14.096 5.015 0.513 1.00 2.17 O ATOM 276 OE2 GLU A 18 -12.240 5.315 1.647 1.00 2.11 O ATOM 0 H GLU A 18 -15.943 1.899 1.230 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.409 2.740 -0.048 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -14.016 1.600 2.695 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.439 2.103 2.120 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -14.865 3.835 2.664 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -13.294 3.905 3.438 1.00 1.64 H new ATOM 283 N VAL A 19 -12.318 0.300 0.058 1.00 0.63 N ATOM 284 CA VAL A 19 -11.951 -1.036 -0.422 1.00 0.57 C ATOM 285 C VAL A 19 -11.081 -1.810 0.557 1.00 0.41 C ATOM 286 O VAL A 19 -10.263 -1.240 1.274 1.00 0.47 O ATOM 287 CB VAL A 19 -11.237 -0.976 -1.787 1.00 0.93 C ATOM 288 CG1 VAL A 19 -9.872 -0.321 -1.661 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.110 -2.370 -2.379 1.00 1.16 C ATOM 0 H VAL A 19 -11.538 0.907 0.310 1.00 0.63 H new ATOM 0 HA VAL A 19 -12.897 -1.568 -0.525 1.00 0.57 H new ATOM 0 HB VAL A 19 -11.840 -0.366 -2.460 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.391 -0.292 -2.639 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -9.989 0.695 -1.284 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.255 -0.895 -0.970 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.604 -2.311 -3.343 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.532 -3.001 -1.703 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.103 -2.799 -2.516 1.00 1.16 H new ATOM 299 N THR A 20 -11.262 -3.128 0.558 1.00 0.37 N ATOM 300 CA THR A 20 -10.499 -4.016 1.424 1.00 0.30 C ATOM 301 C THR A 20 -9.356 -4.648 0.651 1.00 0.33 C ATOM 302 O THR A 20 -9.402 -4.743 -0.575 1.00 0.65 O ATOM 303 CB THR A 20 -11.379 -5.145 1.995 1.00 0.43 C ATOM 304 OG1 THR A 20 -12.751 -4.737 2.023 1.00 0.69 O ATOM 305 CG2 THR A 20 -10.925 -5.537 3.397 1.00 0.54 C ATOM 0 H THR A 20 -11.938 -3.606 -0.038 1.00 0.37 H new ATOM 0 HA THR A 20 -10.116 -3.412 2.246 1.00 0.30 H new ATOM 0 HB THR A 20 -11.277 -6.014 1.345 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.301 -5.463 2.386 1.00 0.69 H new ATOM 0 HG21 THR A 20 -11.563 -6.335 3.776 1.00 0.54 H new ATOM 0 HG22 THR A 20 -9.892 -5.884 3.361 1.00 0.54 H new ATOM 0 HG23 THR A 20 -10.995 -4.672 4.057 1.00 0.54 H new ATOM 313 N VAL A 21 -8.334 -5.089 1.367 1.00 0.28 N ATOM 314 CA VAL A 21 -7.192 -5.721 0.724 1.00 0.25 C ATOM 315 C VAL A 21 -7.516 -7.167 0.367 1.00 0.29 C ATOM 316 O VAL A 21 -7.965 -7.940 1.212 1.00 0.33 O ATOM 317 CB VAL A 21 -5.942 -5.682 1.618 1.00 0.29 C ATOM 318 CG1 VAL A 21 -4.754 -6.298 0.896 1.00 1.39 C ATOM 319 CG2 VAL A 21 -5.639 -4.254 2.043 1.00 1.21 C ATOM 0 H VAL A 21 -8.271 -5.023 2.383 1.00 0.28 H new ATOM 0 HA VAL A 21 -6.980 -5.158 -0.185 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.135 -6.270 2.515 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -3.877 -6.263 1.542 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -4.978 -7.335 0.645 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.554 -5.739 -0.018 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -4.751 -4.243 2.675 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.462 -3.641 1.159 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.486 -3.853 2.600 1.00 1.21 H new ATOM 329 N LYS A 22 -7.305 -7.522 -0.895 1.00 0.36 N ATOM 330 CA LYS A 22 -7.594 -8.872 -1.365 1.00 0.46 C ATOM 331 C LYS A 22 -6.341 -9.743 -1.381 1.00 0.52 C ATOM 332 O LYS A 22 -6.429 -10.966 -1.274 1.00 0.66 O ATOM 333 CB LYS A 22 -8.214 -8.824 -2.763 1.00 0.52 C ATOM 334 CG LYS A 22 -9.261 -9.900 -3.001 1.00 0.78 C ATOM 335 CD LYS A 22 -10.665 -9.317 -3.020 1.00 1.48 C ATOM 336 CE LYS A 22 -11.427 -9.659 -1.749 1.00 2.16 C ATOM 337 NZ LYS A 22 -11.279 -8.601 -0.713 1.00 2.95 N ATOM 0 H LYS A 22 -6.936 -6.895 -1.610 1.00 0.36 H new ATOM 0 HA LYS A 22 -8.304 -9.319 -0.669 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -8.669 -7.846 -2.916 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -7.423 -8.927 -3.506 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -9.061 -10.401 -3.948 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -9.191 -10.657 -2.220 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -10.609 -8.234 -3.132 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -11.207 -9.699 -3.885 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -12.483 -9.793 -1.983 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -11.066 -10.608 -1.353 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -11.712 -8.923 0.176 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -10.269 -8.407 -0.556 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -11.752 -7.732 -1.034 1.00 2.95 H new ATOM 351 N GLU A 23 -5.175 -9.117 -1.521 1.00 0.46 N ATOM 352 CA GLU A 23 -3.921 -9.864 -1.556 1.00 0.56 C ATOM 353 C GLU A 23 -2.809 -9.149 -0.787 1.00 0.42 C ATOM 354 O GLU A 23 -2.413 -8.036 -1.133 1.00 0.42 O ATOM 355 CB GLU A 23 -3.487 -10.097 -3.004 1.00 0.73 C ATOM 356 CG GLU A 23 -3.771 -11.503 -3.505 1.00 1.09 C ATOM 357 CD GLU A 23 -2.546 -12.395 -3.462 1.00 1.33 C ATOM 358 OE1 GLU A 23 -1.431 -11.863 -3.279 1.00 1.63 O ATOM 359 OE2 GLU A 23 -2.701 -13.625 -3.611 1.00 2.13 O ATOM 0 H GLU A 23 -5.072 -8.106 -1.611 1.00 0.46 H new ATOM 0 HA GLU A 23 -4.097 -10.823 -1.069 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -3.998 -9.381 -3.647 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -2.419 -9.898 -3.091 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -4.561 -11.948 -2.900 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -4.143 -11.452 -4.528 1.00 1.09 H new ATOM 366 N TRP A 24 -2.300 -9.813 0.248 1.00 0.35 N ATOM 367 CA TRP A 24 -1.219 -9.266 1.064 1.00 0.26 C ATOM 368 C TRP A 24 -0.015 -10.201 1.031 1.00 0.24 C ATOM 369 O TRP A 24 -0.092 -11.337 1.499 1.00 0.33 O ATOM 370 CB TRP A 24 -1.683 -9.076 2.510 1.00 0.37 C ATOM 371 CG TRP A 24 -2.078 -7.668 2.837 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.306 -7.244 3.247 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.247 -6.501 2.785 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.294 -5.887 3.456 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.043 -5.407 3.179 1.00 0.47 C ATOM 376 CE3 TRP A 24 0.089 -6.272 2.446 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -1.548 -4.108 3.241 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.578 -4.980 2.508 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.239 -3.914 2.903 1.00 0.70 C ATOM 0 H TRP A 24 -2.621 -10.735 0.542 1.00 0.35 H new ATOM 0 HA TRP A 24 -0.934 -8.297 0.655 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.530 -9.735 2.700 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -0.883 -9.385 3.182 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -4.165 -7.883 3.387 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.088 -5.328 3.767 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.727 -7.088 2.141 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.176 -3.284 3.545 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.609 -4.790 2.247 1.00 0.83 H new ATOM 0 HH2 TRP A 24 0.175 -2.917 2.941 1.00 0.70 H new ATOM 390 N TYR A 25 1.094 -9.728 0.472 1.00 0.20 N ATOM 391 CA TYR A 25 2.298 -10.549 0.382 1.00 0.31 C ATOM 392 C TYR A 25 3.425 -10.018 1.270 1.00 0.27 C ATOM 393 O TYR A 25 4.542 -10.533 1.231 1.00 0.36 O ATOM 394 CB TYR A 25 2.775 -10.638 -1.069 1.00 0.42 C ATOM 395 CG TYR A 25 2.461 -11.964 -1.729 1.00 0.70 C ATOM 396 CD1 TYR A 25 1.254 -12.166 -2.387 1.00 1.16 C ATOM 397 CD2 TYR A 25 3.371 -13.014 -1.693 1.00 1.07 C ATOM 398 CE1 TYR A 25 0.963 -13.375 -2.990 1.00 1.44 C ATOM 399 CE2 TYR A 25 3.087 -14.225 -2.294 1.00 1.34 C ATOM 400 CZ TYR A 25 1.883 -14.401 -2.941 1.00 1.36 C ATOM 401 OH TYR A 25 1.597 -15.606 -3.540 1.00 1.72 O ATOM 0 H TYR A 25 1.185 -8.791 0.078 1.00 0.20 H new ATOM 0 HA TYR A 25 2.036 -11.545 0.740 1.00 0.31 H new ATOM 0 HB2 TYR A 25 2.312 -9.836 -1.645 1.00 0.42 H new ATOM 0 HB3 TYR A 25 3.852 -10.472 -1.100 1.00 0.42 H new ATOM 0 HD1 TYR A 25 0.531 -11.365 -2.428 1.00 1.16 H new ATOM 0 HD2 TYR A 25 4.316 -12.881 -1.187 1.00 1.07 H new ATOM 0 HE1 TYR A 25 0.020 -13.516 -3.497 1.00 1.44 H new ATOM 0 HE2 TYR A 25 3.806 -15.030 -2.257 1.00 1.34 H new ATOM 0 HH TYR A 25 2.350 -16.220 -3.415 1.00 1.72 H new ATOM 411 N VAL A 26 3.137 -8.996 2.074 1.00 0.22 N ATOM 412 CA VAL A 26 4.143 -8.425 2.963 1.00 0.22 C ATOM 413 C VAL A 26 3.561 -8.173 4.355 1.00 0.22 C ATOM 414 O VAL A 26 2.343 -8.133 4.528 1.00 0.31 O ATOM 415 CB VAL A 26 4.723 -7.111 2.393 1.00 0.28 C ATOM 416 CG1 VAL A 26 5.206 -7.311 0.965 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.695 -5.993 2.453 1.00 0.40 C ATOM 0 H VAL A 26 2.221 -8.550 2.127 1.00 0.22 H new ATOM 0 HA VAL A 26 4.952 -9.151 3.042 1.00 0.22 H new ATOM 0 HB VAL A 26 5.575 -6.825 3.009 1.00 0.28 H new ATOM 0 HG11 VAL A 26 5.610 -6.374 0.583 1.00 0.50 H new ATOM 0 HG12 VAL A 26 5.983 -8.075 0.947 1.00 0.50 H new ATOM 0 HG13 VAL A 26 4.371 -7.628 0.340 1.00 0.50 H new ATOM 0 HG21 VAL A 26 4.127 -5.079 2.046 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.819 -6.272 1.867 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.400 -5.825 3.489 1.00 0.40 H new ATOM 427 N LYS A 27 4.435 -8.010 5.346 1.00 0.24 N ATOM 428 CA LYS A 27 3.995 -7.771 6.718 1.00 0.26 C ATOM 429 C LYS A 27 4.804 -6.661 7.379 1.00 0.29 C ATOM 430 O LYS A 27 5.805 -6.194 6.836 1.00 0.42 O ATOM 431 CB LYS A 27 4.111 -9.054 7.543 1.00 0.38 C ATOM 432 CG LYS A 27 3.327 -10.222 6.968 1.00 0.61 C ATOM 433 CD LYS A 27 1.835 -10.062 7.208 1.00 0.99 C ATOM 434 CE LYS A 27 1.458 -10.427 8.635 1.00 1.52 C ATOM 435 NZ LYS A 27 0.557 -9.413 9.249 1.00 1.89 N ATOM 0 H LYS A 27 5.447 -8.039 5.225 1.00 0.24 H new ATOM 0 HA LYS A 27 2.952 -7.456 6.679 1.00 0.26 H new ATOM 0 HB2 LYS A 27 5.162 -9.334 7.617 1.00 0.38 H new ATOM 0 HB3 LYS A 27 3.762 -8.857 8.556 1.00 0.38 H new ATOM 0 HG2 LYS A 27 3.518 -10.299 5.898 1.00 0.61 H new ATOM 0 HG3 LYS A 27 3.672 -11.152 7.421 1.00 0.61 H new ATOM 0 HD2 LYS A 27 1.541 -9.032 7.005 1.00 0.99 H new ATOM 0 HD3 LYS A 27 1.284 -10.694 6.512 1.00 0.99 H new ATOM 0 HE2 LYS A 27 0.968 -11.400 8.643 1.00 1.52 H new ATOM 0 HE3 LYS A 27 2.362 -10.521 9.237 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 0.324 -9.699 10.221 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 1.034 -8.489 9.265 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 -0.317 -9.342 8.690 1.00 1.89 H new ATOM 449 N GLU A 28 4.358 -6.250 8.560 1.00 0.30 N ATOM 450 CA GLU A 28 5.033 -5.197 9.315 1.00 0.34 C ATOM 451 C GLU A 28 6.468 -5.604 9.635 1.00 0.38 C ATOM 452 O GLU A 28 6.718 -6.722 10.085 1.00 0.42 O ATOM 453 CB GLU A 28 4.281 -4.899 10.618 1.00 0.42 C ATOM 454 CG GLU A 28 2.769 -5.022 10.506 1.00 0.35 C ATOM 455 CD GLU A 28 2.040 -4.238 11.580 1.00 1.10 C ATOM 456 OE1 GLU A 28 2.627 -3.271 12.110 1.00 2.03 O ATOM 457 OE2 GLU A 28 0.881 -4.587 11.886 1.00 1.23 O ATOM 0 H GLU A 28 3.530 -6.630 9.018 1.00 0.30 H new ATOM 0 HA GLU A 28 5.046 -4.297 8.700 1.00 0.34 H new ATOM 0 HB2 GLU A 28 4.634 -5.581 11.392 1.00 0.42 H new ATOM 0 HB3 GLU A 28 4.529 -3.889 10.945 1.00 0.42 H new ATOM 0 HG2 GLU A 28 2.451 -4.670 9.525 1.00 0.35 H new ATOM 0 HG3 GLU A 28 2.487 -6.073 10.574 1.00 0.35 H new ATOM 464 N GLY A 29 7.412 -4.697 9.396 1.00 0.39 N ATOM 465 CA GLY A 29 8.806 -5.001 9.666 1.00 0.45 C ATOM 466 C GLY A 29 9.428 -5.897 8.607 1.00 0.40 C ATOM 467 O GLY A 29 10.584 -6.301 8.731 1.00 0.44 O ATOM 0 H GLY A 29 7.238 -3.764 9.023 1.00 0.39 H new ATOM 0 HA2 GLY A 29 9.371 -4.071 9.726 1.00 0.45 H new ATOM 0 HA3 GLY A 29 8.886 -5.486 10.639 1.00 0.45 H new ATOM 471 N ASP A 30 8.656 -6.223 7.572 1.00 0.34 N ATOM 472 CA ASP A 30 9.134 -7.091 6.500 1.00 0.31 C ATOM 473 C ASP A 30 9.587 -6.280 5.292 1.00 0.25 C ATOM 474 O ASP A 30 9.140 -5.153 5.082 1.00 0.24 O ATOM 475 CB ASP A 30 8.040 -8.078 6.083 1.00 0.31 C ATOM 476 CG ASP A 30 7.646 -9.016 7.208 1.00 0.91 C ATOM 477 OD1 ASP A 30 7.876 -8.663 8.383 1.00 1.27 O ATOM 478 OD2 ASP A 30 7.110 -10.104 6.912 1.00 1.36 O ATOM 0 H ASP A 30 7.696 -5.898 7.454 1.00 0.34 H new ATOM 0 HA ASP A 30 9.991 -7.646 6.881 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.162 -7.524 5.752 1.00 0.31 H new ATOM 0 HB3 ASP A 30 8.388 -8.663 5.231 1.00 0.31 H new ATOM 483 N THR A 31 10.482 -6.865 4.503 1.00 0.23 N ATOM 484 CA THR A 31 11.002 -6.202 3.316 1.00 0.18 C ATOM 485 C THR A 31 10.290 -6.687 2.057 1.00 0.18 C ATOM 486 O THR A 31 9.824 -7.824 1.990 1.00 0.30 O ATOM 487 CB THR A 31 12.515 -6.441 3.160 1.00 0.19 C ATOM 488 OG1 THR A 31 13.173 -6.255 4.419 1.00 0.31 O ATOM 489 CG2 THR A 31 13.110 -5.493 2.129 1.00 0.30 C ATOM 0 H THR A 31 10.862 -7.798 4.666 1.00 0.23 H new ATOM 0 HA THR A 31 10.820 -5.135 3.444 1.00 0.18 H new ATOM 0 HB THR A 31 12.664 -7.465 2.819 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.135 -6.410 4.312 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.180 -5.681 2.036 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.628 -5.655 1.165 1.00 0.30 H new ATOM 0 HG23 THR A 31 12.949 -4.463 2.446 1.00 0.30 H new ATOM 497 N VAL A 32 10.208 -5.808 1.065 1.00 0.14 N ATOM 498 CA VAL A 32 9.552 -6.125 -0.197 1.00 0.14 C ATOM 499 C VAL A 32 10.571 -6.365 -1.302 1.00 0.14 C ATOM 500 O VAL A 32 11.703 -5.886 -1.233 1.00 0.18 O ATOM 501 CB VAL A 32 8.584 -5.007 -0.665 1.00 0.20 C ATOM 502 CG1 VAL A 32 7.148 -5.491 -0.587 1.00 0.28 C ATOM 503 CG2 VAL A 32 8.756 -3.720 0.139 1.00 0.18 C ATOM 0 H VAL A 32 10.591 -4.864 1.112 1.00 0.14 H new ATOM 0 HA VAL A 32 8.977 -7.031 -0.009 1.00 0.14 H new ATOM 0 HB VAL A 32 8.831 -4.775 -1.701 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.478 -4.697 -0.918 1.00 0.28 H new ATOM 0 HG12 VAL A 32 7.023 -6.363 -1.229 1.00 0.28 H new ATOM 0 HG13 VAL A 32 6.910 -5.761 0.442 1.00 0.28 H new ATOM 0 HG21 VAL A 32 8.057 -2.967 -0.225 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.558 -3.920 1.192 1.00 0.18 H new ATOM 0 HG23 VAL A 32 9.776 -3.353 0.025 1.00 0.18 H new ATOM 513 N SER A 33 10.142 -7.096 -2.327 1.00 0.23 N ATOM 514 CA SER A 33 10.990 -7.399 -3.471 1.00 0.31 C ATOM 515 C SER A 33 10.279 -7.021 -4.767 1.00 0.33 C ATOM 516 O SER A 33 9.055 -6.888 -4.796 1.00 0.35 O ATOM 517 CB SER A 33 11.357 -8.885 -3.486 1.00 0.38 C ATOM 518 OG SER A 33 12.522 -9.131 -2.716 1.00 1.42 O ATOM 0 H SER A 33 9.204 -7.491 -2.386 1.00 0.23 H new ATOM 0 HA SER A 33 11.907 -6.815 -3.388 1.00 0.31 H new ATOM 0 HB2 SER A 33 10.527 -9.472 -3.093 1.00 0.38 H new ATOM 0 HB3 SER A 33 11.520 -9.212 -4.513 1.00 0.38 H new ATOM 0 HG SER A 33 12.734 -10.087 -2.740 1.00 1.42 H new ATOM 524 N GLN A 34 11.048 -6.841 -5.834 1.00 0.37 N ATOM 525 CA GLN A 34 10.481 -6.469 -7.126 1.00 0.41 C ATOM 526 C GLN A 34 9.393 -7.447 -7.556 1.00 0.43 C ATOM 527 O GLN A 34 8.506 -7.098 -8.335 1.00 0.52 O ATOM 528 CB GLN A 34 11.578 -6.409 -8.190 1.00 0.44 C ATOM 529 CG GLN A 34 12.360 -5.107 -8.178 1.00 0.76 C ATOM 530 CD GLN A 34 13.534 -5.120 -9.137 1.00 1.54 C ATOM 531 OE1 GLN A 34 13.365 -5.313 -10.341 1.00 2.38 O ATOM 532 NE2 GLN A 34 14.733 -4.914 -8.606 1.00 1.72 N ATOM 0 H GLN A 34 12.063 -6.946 -5.831 1.00 0.37 H new ATOM 0 HA GLN A 34 10.029 -5.483 -7.020 1.00 0.41 H new ATOM 0 HB2 GLN A 34 12.267 -7.240 -8.038 1.00 0.44 H new ATOM 0 HB3 GLN A 34 11.128 -6.545 -9.173 1.00 0.44 H new ATOM 0 HG2 GLN A 34 11.693 -4.285 -8.438 1.00 0.76 H new ATOM 0 HG3 GLN A 34 12.723 -4.916 -7.168 1.00 0.76 H new ATOM 0 HE21 GLN A 34 14.826 -4.758 -7.602 1.00 1.72 H new ATOM 0 HE22 GLN A 34 15.561 -4.911 -9.202 1.00 1.72 H new ATOM 541 N PHE A 35 9.466 -8.673 -7.050 1.00 0.43 N ATOM 542 CA PHE A 35 8.487 -9.699 -7.392 1.00 0.48 C ATOM 543 C PHE A 35 7.437 -9.862 -6.294 1.00 0.43 C ATOM 544 O PHE A 35 6.357 -10.401 -6.535 1.00 0.47 O ATOM 545 CB PHE A 35 9.189 -11.034 -7.640 1.00 0.58 C ATOM 546 CG PHE A 35 8.748 -11.715 -8.903 1.00 0.99 C ATOM 547 CD1 PHE A 35 7.405 -11.951 -9.142 1.00 1.12 C ATOM 548 CD2 PHE A 35 9.675 -12.118 -9.851 1.00 1.86 C ATOM 549 CE1 PHE A 35 6.993 -12.577 -10.303 1.00 1.64 C ATOM 550 CE2 PHE A 35 9.270 -12.745 -11.014 1.00 2.52 C ATOM 551 CZ PHE A 35 7.927 -12.974 -11.240 1.00 2.31 C ATOM 0 H PHE A 35 10.192 -8.981 -6.403 1.00 0.43 H new ATOM 0 HA PHE A 35 7.977 -9.381 -8.301 1.00 0.48 H new ATOM 0 HB2 PHE A 35 10.265 -10.867 -7.683 1.00 0.58 H new ATOM 0 HB3 PHE A 35 9.002 -11.696 -6.795 1.00 0.58 H new ATOM 0 HD1 PHE A 35 6.671 -11.642 -8.413 1.00 1.12 H new ATOM 0 HD2 PHE A 35 10.726 -11.940 -9.679 1.00 1.86 H new ATOM 0 HE1 PHE A 35 5.942 -12.756 -10.478 1.00 1.64 H new ATOM 0 HE2 PHE A 35 10.002 -13.055 -11.745 1.00 2.52 H new ATOM 0 HZ PHE A 35 7.607 -13.463 -12.148 1.00 2.31 H new ATOM 561 N ASP A 36 7.760 -9.404 -5.089 1.00 0.36 N ATOM 562 CA ASP A 36 6.840 -9.513 -3.962 1.00 0.34 C ATOM 563 C ASP A 36 6.035 -8.230 -3.777 1.00 0.25 C ATOM 564 O ASP A 36 6.498 -7.281 -3.146 1.00 0.21 O ATOM 565 CB ASP A 36 7.612 -9.834 -2.681 1.00 0.41 C ATOM 566 CG ASP A 36 8.050 -11.284 -2.619 1.00 0.76 C ATOM 567 OD1 ASP A 36 7.923 -11.987 -3.643 1.00 0.84 O ATOM 568 OD2 ASP A 36 8.520 -11.716 -1.545 1.00 1.69 O ATOM 0 H ASP A 36 8.649 -8.955 -4.868 1.00 0.36 H new ATOM 0 HA ASP A 36 6.143 -10.323 -4.176 1.00 0.34 H new ATOM 0 HB2 ASP A 36 8.489 -9.189 -2.617 1.00 0.41 H new ATOM 0 HB3 ASP A 36 6.987 -9.609 -1.817 1.00 0.41 H new ATOM 573 N SER A 37 4.823 -8.212 -4.326 1.00 0.26 N ATOM 574 CA SER A 37 3.949 -7.049 -4.215 1.00 0.21 C ATOM 575 C SER A 37 3.615 -6.761 -2.754 1.00 0.23 C ATOM 576 O SER A 37 3.737 -7.637 -1.897 1.00 0.28 O ATOM 577 CB SER A 37 2.662 -7.272 -5.011 1.00 0.25 C ATOM 578 OG SER A 37 2.261 -8.631 -4.966 1.00 0.94 O ATOM 0 H SER A 37 4.425 -8.990 -4.852 1.00 0.26 H new ATOM 0 HA SER A 37 4.476 -6.188 -4.627 1.00 0.21 H new ATOM 0 HB2 SER A 37 1.869 -6.642 -4.608 1.00 0.25 H new ATOM 0 HB3 SER A 37 2.815 -6.969 -6.047 1.00 0.25 H new ATOM 0 HG SER A 37 1.282 -8.684 -4.970 1.00 0.94 H new ATOM 584 N ILE A 38 3.188 -5.532 -2.473 1.00 0.22 N ATOM 585 CA ILE A 38 2.835 -5.144 -1.110 1.00 0.27 C ATOM 586 C ILE A 38 1.387 -5.516 -0.805 1.00 0.27 C ATOM 587 O ILE A 38 1.124 -6.462 -0.059 1.00 0.27 O ATOM 588 CB ILE A 38 3.060 -3.631 -0.879 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.553 -3.312 -1.080 1.00 0.36 C ATOM 590 CG2 ILE A 38 2.571 -3.206 0.511 1.00 0.34 C ATOM 591 CD1 ILE A 38 5.043 -2.056 -0.384 1.00 0.47 C ATOM 0 H ILE A 38 3.079 -4.792 -3.166 1.00 0.22 H new ATOM 0 HA ILE A 38 3.489 -5.690 -0.430 1.00 0.27 H new ATOM 0 HB ILE A 38 2.477 -3.061 -1.602 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.140 -4.158 -0.724 1.00 0.36 H new ATOM 0 HG13 ILE A 38 4.747 -3.216 -2.148 1.00 0.36 H new ATOM 0 HG21 ILE A 38 2.742 -2.138 0.646 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.506 -3.418 0.602 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.118 -3.760 1.274 1.00 0.34 H new ATOM 0 HD11 ILE A 38 6.105 -1.919 -0.586 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.489 -1.194 -0.756 1.00 0.47 H new ATOM 0 HD13 ILE A 38 4.888 -2.151 0.691 1.00 0.47 H new ATOM 603 N CYS A 39 0.451 -4.776 -1.390 1.00 0.32 N ATOM 604 CA CYS A 39 -0.966 -5.042 -1.176 1.00 0.34 C ATOM 605 C CYS A 39 -1.767 -4.877 -2.462 1.00 0.40 C ATOM 606 O CYS A 39 -1.382 -4.125 -3.358 1.00 0.55 O ATOM 607 CB CYS A 39 -1.532 -4.119 -0.093 1.00 0.40 C ATOM 608 SG CYS A 39 -0.766 -2.480 -0.028 1.00 1.29 S ATOM 0 H CYS A 39 0.647 -3.992 -2.012 1.00 0.32 H new ATOM 0 HA CYS A 39 -1.055 -6.077 -0.848 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -2.603 -3.999 -0.259 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.411 -4.601 0.877 1.00 0.40 H new ATOM 0 HG CYS A 39 -0.220 -2.302 1.138 1.00 1.29 H new ATOM 614 N GLU A 40 -2.890 -5.581 -2.535 1.00 0.36 N ATOM 615 CA GLU A 40 -3.767 -5.520 -3.696 1.00 0.44 C ATOM 616 C GLU A 40 -5.217 -5.370 -3.252 1.00 0.48 C ATOM 617 O GLU A 40 -5.716 -6.167 -2.458 1.00 0.50 O ATOM 618 CB GLU A 40 -3.609 -6.781 -4.549 1.00 0.57 C ATOM 619 CG GLU A 40 -2.561 -6.653 -5.642 1.00 1.15 C ATOM 620 CD GLU A 40 -1.627 -7.847 -5.693 1.00 1.65 C ATOM 621 OE1 GLU A 40 -0.611 -7.838 -4.966 1.00 2.37 O ATOM 622 OE2 GLU A 40 -1.913 -8.791 -6.459 1.00 1.74 O ATOM 0 H GLU A 40 -3.216 -6.205 -1.797 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.489 -4.653 -4.296 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -3.345 -7.616 -3.901 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -4.569 -7.023 -5.005 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -3.058 -6.543 -6.606 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -1.978 -5.747 -5.478 1.00 1.15 H new ATOM 629 N VAL A 41 -5.887 -4.341 -3.758 1.00 0.55 N ATOM 630 CA VAL A 41 -7.277 -4.090 -3.399 1.00 0.64 C ATOM 631 C VAL A 41 -8.188 -4.136 -4.620 1.00 0.92 C ATOM 632 O VAL A 41 -7.812 -3.695 -5.706 1.00 1.08 O ATOM 633 CB VAL A 41 -7.438 -2.722 -2.709 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.569 -2.645 -1.463 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.099 -1.596 -3.675 1.00 1.32 C ATOM 0 H VAL A 41 -5.492 -3.669 -4.416 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.567 -4.881 -2.707 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.478 -2.609 -2.404 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -6.697 -1.671 -0.990 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -6.863 -3.429 -0.765 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.523 -2.780 -1.740 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.218 -0.637 -3.172 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.068 -1.704 -4.012 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.768 -1.640 -4.534 1.00 1.32 H new ATOM 645 N GLN A 42 -9.390 -4.667 -4.430 1.00 1.03 N ATOM 646 CA GLN A 42 -10.360 -4.766 -5.512 1.00 1.34 C ATOM 647 C GLN A 42 -11.738 -4.309 -5.046 1.00 1.39 C ATOM 648 O GLN A 42 -12.317 -4.886 -4.127 1.00 1.38 O ATOM 649 CB GLN A 42 -10.433 -6.202 -6.031 1.00 1.58 C ATOM 650 CG GLN A 42 -9.200 -6.625 -6.812 1.00 1.80 C ATOM 651 CD GLN A 42 -8.476 -7.791 -6.170 1.00 2.17 C ATOM 652 OE1 GLN A 42 -9.066 -8.844 -5.926 1.00 2.33 O ATOM 653 NE2 GLN A 42 -7.191 -7.608 -5.890 1.00 2.60 N ATOM 0 H GLN A 42 -9.716 -5.035 -3.536 1.00 1.03 H new ATOM 0 HA GLN A 42 -10.034 -4.113 -6.322 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -10.570 -6.879 -5.188 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -11.311 -6.306 -6.668 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -9.492 -6.897 -7.826 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.518 -5.779 -6.893 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -6.743 -6.719 -6.110 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -6.652 -8.357 -5.455 1.00 2.60 H new ATOM 662 N SER A 43 -12.254 -3.265 -5.685 1.00 1.55 N ATOM 663 CA SER A 43 -13.562 -2.726 -5.335 1.00 1.64 C ATOM 664 C SER A 43 -14.470 -2.659 -6.558 1.00 2.05 C ATOM 665 O SER A 43 -13.996 -2.571 -7.691 1.00 2.29 O ATOM 666 CB SER A 43 -13.412 -1.333 -4.721 1.00 1.43 C ATOM 667 OG SER A 43 -14.467 -1.058 -3.816 1.00 1.73 O ATOM 0 H SER A 43 -11.786 -2.775 -6.448 1.00 1.55 H new ATOM 0 HA SER A 43 -14.018 -3.393 -4.604 1.00 1.64 H new ATOM 0 HB2 SER A 43 -12.456 -1.262 -4.202 1.00 1.43 H new ATOM 0 HB3 SER A 43 -13.402 -0.583 -5.512 1.00 1.43 H new ATOM 0 HG SER A 43 -14.347 -0.163 -3.436 1.00 1.73 H new ATOM 673 N ASP A 44 -15.780 -2.699 -6.323 1.00 2.23 N ATOM 674 CA ASP A 44 -16.760 -2.640 -7.406 1.00 2.66 C ATOM 675 C ASP A 44 -16.408 -1.536 -8.401 1.00 2.80 C ATOM 676 O ASP A 44 -16.655 -1.663 -9.600 1.00 3.14 O ATOM 677 CB ASP A 44 -18.161 -2.404 -6.839 1.00 2.85 C ATOM 678 CG ASP A 44 -19.234 -2.438 -7.911 1.00 3.67 C ATOM 679 OD1 ASP A 44 -19.356 -1.446 -8.661 1.00 4.39 O ATOM 680 OD2 ASP A 44 -19.952 -3.455 -7.999 1.00 3.89 O ATOM 0 H ASP A 44 -16.188 -2.772 -5.391 1.00 2.23 H new ATOM 0 HA ASP A 44 -16.743 -3.595 -7.931 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -18.378 -3.163 -6.088 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -18.187 -1.439 -6.334 1.00 2.85 H new ATOM 685 N LYS A 45 -15.822 -0.457 -7.891 1.00 2.69 N ATOM 686 CA LYS A 45 -15.424 0.666 -8.730 1.00 2.92 C ATOM 687 C LYS A 45 -14.282 0.260 -9.657 1.00 3.03 C ATOM 688 O LYS A 45 -14.464 0.144 -10.869 1.00 3.65 O ATOM 689 CB LYS A 45 -15.004 1.855 -7.858 1.00 2.89 C ATOM 690 CG LYS A 45 -14.356 2.994 -8.632 1.00 2.98 C ATOM 691 CD LYS A 45 -15.393 3.822 -9.375 1.00 3.17 C ATOM 692 CE LYS A 45 -15.113 5.311 -9.251 1.00 3.22 C ATOM 693 NZ LYS A 45 -15.317 6.024 -10.543 1.00 3.62 N ATOM 0 H LYS A 45 -15.613 -0.338 -6.900 1.00 2.69 H new ATOM 0 HA LYS A 45 -16.276 0.963 -9.341 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -15.881 2.237 -7.336 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -14.307 1.505 -7.096 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -13.802 3.634 -7.945 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -13.635 2.589 -9.342 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -15.400 3.539 -10.428 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -16.385 3.604 -8.980 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -15.766 5.741 -8.492 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -14.088 5.461 -8.912 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -15.116 7.036 -10.416 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -14.676 5.631 -11.261 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -16.302 5.903 -10.855 1.00 3.62 H new ATOM 707 N ALA A 46 -13.106 0.039 -9.075 1.00 2.58 N ATOM 708 CA ALA A 46 -11.934 -0.360 -9.846 1.00 2.82 C ATOM 709 C ALA A 46 -11.011 -1.253 -9.020 1.00 2.68 C ATOM 710 O ALA A 46 -10.954 -1.140 -7.796 1.00 2.63 O ATOM 711 CB ALA A 46 -11.182 0.868 -10.337 1.00 2.83 C ATOM 0 H ALA A 46 -12.940 0.130 -8.073 1.00 2.58 H new ATOM 0 HA ALA A 46 -12.275 -0.933 -10.708 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -10.310 0.555 -10.911 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -11.837 1.467 -10.970 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -10.860 1.463 -9.483 1.00 2.83 H new ATOM 717 N SER A 47 -10.287 -2.137 -9.700 1.00 2.96 N ATOM 718 CA SER A 47 -9.363 -3.048 -9.031 1.00 2.92 C ATOM 719 C SER A 47 -7.934 -2.526 -9.128 1.00 2.26 C ATOM 720 O SER A 47 -7.396 -2.365 -10.223 1.00 2.31 O ATOM 721 CB SER A 47 -9.453 -4.445 -9.651 1.00 3.72 C ATOM 722 OG SER A 47 -10.265 -4.437 -10.812 1.00 4.52 O ATOM 0 H SER A 47 -10.322 -2.242 -10.714 1.00 2.96 H new ATOM 0 HA SER A 47 -9.642 -3.109 -7.979 1.00 2.92 H new ATOM 0 HB2 SER A 47 -8.454 -4.798 -9.905 1.00 3.72 H new ATOM 0 HB3 SER A 47 -9.863 -5.144 -8.922 1.00 3.72 H new ATOM 0 HG SER A 47 -10.305 -5.340 -11.190 1.00 4.52 H new ATOM 728 N VAL A 48 -7.328 -2.251 -7.977 1.00 2.12 N ATOM 729 CA VAL A 48 -5.966 -1.733 -7.938 1.00 1.80 C ATOM 730 C VAL A 48 -4.986 -2.747 -7.357 1.00 1.55 C ATOM 731 O VAL A 48 -5.262 -3.387 -6.341 1.00 1.97 O ATOM 732 CB VAL A 48 -5.883 -0.438 -7.110 1.00 2.53 C ATOM 733 CG1 VAL A 48 -4.519 0.213 -7.271 1.00 2.98 C ATOM 734 CG2 VAL A 48 -6.990 0.525 -7.509 1.00 3.50 C ATOM 0 H VAL A 48 -7.758 -2.378 -7.061 1.00 2.12 H new ATOM 0 HA VAL A 48 -5.690 -1.526 -8.972 1.00 1.80 H new ATOM 0 HB VAL A 48 -6.017 -0.694 -6.059 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -4.480 1.127 -6.678 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -3.745 -0.474 -6.930 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -4.353 0.454 -8.321 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -6.914 1.434 -6.912 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -6.892 0.775 -8.565 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -7.959 0.057 -7.336 1.00 3.50 H new ATOM 744 N THR A 49 -3.833 -2.869 -8.003 1.00 1.13 N ATOM 745 CA THR A 49 -2.788 -3.781 -7.558 1.00 0.98 C ATOM 746 C THR A 49 -1.495 -3.012 -7.316 1.00 0.69 C ATOM 747 O THR A 49 -1.037 -2.269 -8.184 1.00 0.71 O ATOM 748 CB THR A 49 -2.536 -4.895 -8.590 1.00 1.22 C ATOM 749 OG1 THR A 49 -1.936 -4.344 -9.768 1.00 1.28 O ATOM 750 CG2 THR A 49 -3.837 -5.592 -8.959 1.00 1.46 C ATOM 0 H THR A 49 -3.597 -2.342 -8.844 1.00 1.13 H new ATOM 0 HA THR A 49 -3.123 -4.244 -6.630 1.00 0.98 H new ATOM 0 HB THR A 49 -1.861 -5.627 -8.146 1.00 1.22 H new ATOM 0 HG1 THR A 49 -1.415 -3.549 -9.529 1.00 1.28 H new ATOM 0 HG21 THR A 49 -3.636 -6.376 -9.689 1.00 1.46 H new ATOM 0 HG22 THR A 49 -4.279 -6.034 -8.066 1.00 1.46 H new ATOM 0 HG23 THR A 49 -4.530 -4.867 -9.386 1.00 1.46 H new ATOM 758 N ILE A 50 -0.920 -3.170 -6.129 1.00 0.66 N ATOM 759 CA ILE A 50 0.306 -2.459 -5.785 1.00 0.49 C ATOM 760 C ILE A 50 1.543 -3.335 -5.936 1.00 0.37 C ATOM 761 O ILE A 50 1.814 -4.206 -5.104 1.00 0.36 O ATOM 762 CB ILE A 50 0.251 -1.920 -4.346 1.00 0.66 C ATOM 763 CG1 ILE A 50 -1.071 -1.192 -4.108 1.00 0.95 C ATOM 764 CG2 ILE A 50 1.428 -0.994 -4.080 1.00 0.78 C ATOM 765 CD1 ILE A 50 -1.356 -0.115 -5.131 1.00 1.01 C ATOM 0 H ILE A 50 -1.279 -3.779 -5.394 1.00 0.66 H new ATOM 0 HA ILE A 50 0.381 -1.628 -6.486 1.00 0.49 H new ATOM 0 HB ILE A 50 0.315 -2.760 -3.654 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -1.884 -1.918 -4.119 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -1.057 -0.744 -3.114 1.00 0.95 H new ATOM 0 HG21 ILE A 50 1.374 -0.621 -3.057 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.360 -1.542 -4.218 1.00 0.78 H new ATOM 0 HG23 ILE A 50 1.395 -0.154 -4.774 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -2.309 0.361 -4.902 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -0.562 0.631 -5.104 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -1.402 -0.560 -6.125 1.00 1.01 H new ATOM 777 N THR A 51 2.306 -3.071 -6.990 1.00 0.41 N ATOM 778 CA THR A 51 3.533 -3.806 -7.251 1.00 0.44 C ATOM 779 C THR A 51 4.711 -3.102 -6.593 1.00 0.40 C ATOM 780 O THR A 51 4.721 -1.877 -6.469 1.00 0.50 O ATOM 781 CB THR A 51 3.803 -3.939 -8.761 1.00 0.56 C ATOM 782 OG1 THR A 51 4.272 -2.693 -9.288 1.00 0.79 O ATOM 783 CG2 THR A 51 2.543 -4.365 -9.499 1.00 1.04 C ATOM 0 H THR A 51 2.093 -2.350 -7.679 1.00 0.41 H new ATOM 0 HA THR A 51 3.413 -4.805 -6.833 1.00 0.44 H new ATOM 0 HB THR A 51 4.567 -4.703 -8.905 1.00 0.56 H new ATOM 0 HG1 THR A 51 4.443 -2.788 -10.248 1.00 0.79 H new ATOM 0 HG21 THR A 51 2.757 -4.453 -10.564 1.00 1.04 H new ATOM 0 HG22 THR A 51 2.205 -5.328 -9.116 1.00 1.04 H new ATOM 0 HG23 THR A 51 1.762 -3.620 -9.346 1.00 1.04 H new ATOM 791 N SER A 52 5.699 -3.874 -6.164 1.00 0.49 N ATOM 792 CA SER A 52 6.869 -3.305 -5.512 1.00 0.56 C ATOM 793 C SER A 52 7.727 -2.524 -6.500 1.00 0.56 C ATOM 794 O SER A 52 7.981 -1.338 -6.305 1.00 0.66 O ATOM 795 CB SER A 52 7.705 -4.406 -4.860 1.00 0.63 C ATOM 796 OG SER A 52 7.011 -4.999 -3.777 1.00 1.36 O ATOM 0 H SER A 52 5.714 -4.890 -6.255 1.00 0.49 H new ATOM 0 HA SER A 52 6.518 -2.617 -4.743 1.00 0.56 H new ATOM 0 HB2 SER A 52 7.950 -5.168 -5.600 1.00 0.63 H new ATOM 0 HB3 SER A 52 8.649 -3.990 -4.507 1.00 0.63 H new ATOM 0 HG SER A 52 7.017 -5.974 -3.879 1.00 1.36 H new ATOM 802 N ARG A 53 8.188 -3.209 -7.546 1.00 0.54 N ATOM 803 CA ARG A 53 9.045 -2.598 -8.564 1.00 0.63 C ATOM 804 C ARG A 53 10.411 -2.208 -7.981 1.00 0.58 C ATOM 805 O ARG A 53 11.203 -1.529 -8.635 1.00 0.68 O ATOM 806 CB ARG A 53 8.342 -1.384 -9.211 1.00 0.83 C ATOM 807 CG ARG A 53 8.602 -0.034 -8.541 1.00 1.39 C ATOM 808 CD ARG A 53 7.305 0.648 -8.137 1.00 2.19 C ATOM 809 NE ARG A 53 7.470 1.472 -6.943 1.00 2.73 N ATOM 810 CZ ARG A 53 6.494 2.204 -6.415 1.00 3.54 C ATOM 811 NH1 ARG A 53 5.294 2.218 -6.980 1.00 4.04 N ATOM 812 NH2 ARG A 53 6.717 2.923 -5.323 1.00 4.23 N ATOM 0 H ARG A 53 7.981 -4.194 -7.712 1.00 0.54 H new ATOM 0 HA ARG A 53 9.224 -3.338 -9.344 1.00 0.63 H new ATOM 0 HB2 ARG A 53 8.655 -1.318 -10.253 1.00 0.83 H new ATOM 0 HB3 ARG A 53 7.268 -1.568 -9.212 1.00 0.83 H new ATOM 0 HG2 ARG A 53 9.228 -0.179 -7.660 1.00 1.39 H new ATOM 0 HG3 ARG A 53 9.156 0.611 -9.223 1.00 1.39 H new ATOM 0 HD2 ARG A 53 6.950 1.269 -8.960 1.00 2.19 H new ATOM 0 HD3 ARG A 53 6.540 -0.107 -7.954 1.00 2.19 H new ATOM 0 HE ARG A 53 8.384 1.487 -6.489 1.00 2.73 H new ATOM 0 HH11 ARG A 53 5.119 1.667 -7.820 1.00 4.04 H new ATOM 0 HH12 ARG A 53 4.546 2.780 -6.574 1.00 4.04 H new ATOM 0 HH21 ARG A 53 7.639 2.915 -4.887 1.00 4.23 H new ATOM 0 HH22 ARG A 53 5.967 3.484 -4.920 1.00 4.23 H new ATOM 826 N TYR A 54 10.672 -2.639 -6.749 1.00 0.45 N ATOM 827 CA TYR A 54 11.919 -2.344 -6.066 1.00 0.41 C ATOM 828 C TYR A 54 11.929 -3.053 -4.719 1.00 0.31 C ATOM 829 O TYR A 54 10.890 -3.529 -4.259 1.00 0.28 O ATOM 830 CB TYR A 54 12.067 -0.834 -5.862 1.00 0.50 C ATOM 831 CG TYR A 54 13.162 -0.202 -6.692 1.00 1.15 C ATOM 832 CD1 TYR A 54 14.468 -0.672 -6.632 1.00 1.89 C ATOM 833 CD2 TYR A 54 12.890 0.872 -7.531 1.00 1.77 C ATOM 834 CE1 TYR A 54 15.471 -0.091 -7.385 1.00 2.72 C ATOM 835 CE2 TYR A 54 13.887 1.458 -8.287 1.00 2.59 C ATOM 836 CZ TYR A 54 15.175 0.973 -8.210 1.00 2.95 C ATOM 837 OH TYR A 54 16.172 1.556 -8.960 1.00 3.88 O ATOM 0 H TYR A 54 10.022 -3.202 -6.200 1.00 0.45 H new ATOM 0 HA TYR A 54 12.754 -2.695 -6.672 1.00 0.41 H new ATOM 0 HB2 TYR A 54 11.120 -0.351 -6.102 1.00 0.50 H new ATOM 0 HB3 TYR A 54 12.266 -0.639 -4.808 1.00 0.50 H new ATOM 0 HD1 TYR A 54 14.703 -1.505 -5.986 1.00 1.89 H new ATOM 0 HD2 TYR A 54 11.882 1.255 -7.593 1.00 1.77 H new ATOM 0 HE1 TYR A 54 16.481 -0.469 -7.327 1.00 2.72 H new ATOM 0 HE2 TYR A 54 13.658 2.291 -8.935 1.00 2.59 H new ATOM 0 HH TYR A 54 16.869 1.902 -8.365 1.00 3.88 H new ATOM 847 N ASP A 55 13.083 -3.113 -4.076 1.00 0.30 N ATOM 848 CA ASP A 55 13.173 -3.755 -2.775 1.00 0.24 C ATOM 849 C ASP A 55 13.161 -2.700 -1.675 1.00 0.23 C ATOM 850 O ASP A 55 14.006 -1.804 -1.649 1.00 0.28 O ATOM 851 CB ASP A 55 14.423 -4.638 -2.696 1.00 0.28 C ATOM 852 CG ASP A 55 14.779 -5.053 -1.278 1.00 1.01 C ATOM 853 OD1 ASP A 55 15.467 -4.274 -0.586 1.00 1.52 O ATOM 854 OD2 ASP A 55 14.370 -6.158 -0.863 1.00 1.33 O ATOM 0 H ASP A 55 13.961 -2.730 -4.428 1.00 0.30 H new ATOM 0 HA ASP A 55 12.307 -4.402 -2.634 1.00 0.24 H new ATOM 0 HB2 ASP A 55 14.266 -5.532 -3.300 1.00 0.28 H new ATOM 0 HB3 ASP A 55 15.266 -4.102 -3.132 1.00 0.28 H new ATOM 859 N GLY A 56 12.185 -2.801 -0.780 1.00 0.18 N ATOM 860 CA GLY A 56 12.072 -1.834 0.294 1.00 0.18 C ATOM 861 C GLY A 56 11.708 -2.460 1.622 1.00 0.15 C ATOM 862 O GLY A 56 11.277 -3.606 1.677 1.00 0.15 O ATOM 0 H GLY A 56 11.473 -3.532 -0.779 1.00 0.18 H new ATOM 0 HA2 GLY A 56 13.018 -1.303 0.397 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.317 -1.093 0.030 1.00 0.18 H new ATOM 866 N VAL A 57 11.892 -1.706 2.697 1.00 0.18 N ATOM 867 CA VAL A 57 11.590 -2.204 4.035 1.00 0.21 C ATOM 868 C VAL A 57 10.238 -1.701 4.541 1.00 0.22 C ATOM 869 O VAL A 57 10.024 -0.498 4.676 1.00 0.26 O ATOM 870 CB VAL A 57 12.682 -1.790 5.040 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.512 -2.536 6.354 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.066 -2.033 4.454 1.00 1.11 C ATOM 0 H VAL A 57 12.248 -0.750 2.671 1.00 0.18 H new ATOM 0 HA VAL A 57 11.554 -3.291 3.958 1.00 0.21 H new ATOM 0 HB VAL A 57 12.579 -0.724 5.241 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.293 -2.230 7.050 1.00 1.06 H new ATOM 0 HG12 VAL A 57 11.535 -2.305 6.780 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.586 -3.609 6.176 1.00 1.06 H new ATOM 0 HG21 VAL A 57 14.825 -1.735 5.177 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.182 -3.092 4.222 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.183 -1.447 3.543 1.00 1.11 H new ATOM 882 N ILE A 58 9.337 -2.637 4.839 1.00 0.21 N ATOM 883 CA ILE A 58 8.010 -2.300 5.354 1.00 0.24 C ATOM 884 C ILE A 58 7.996 -2.459 6.868 1.00 0.33 C ATOM 885 O ILE A 58 8.363 -3.516 7.390 1.00 0.38 O ATOM 886 CB ILE A 58 6.921 -3.192 4.730 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.159 -3.327 3.229 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.536 -2.622 4.999 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.365 -4.443 2.589 1.00 0.17 C ATOM 0 H ILE A 58 9.503 -3.638 4.732 1.00 0.21 H new ATOM 0 HA ILE A 58 7.794 -1.266 5.086 1.00 0.24 H new ATOM 0 HB ILE A 58 6.975 -4.179 5.188 1.00 0.19 H new ATOM 0 HG12 ILE A 58 6.904 -2.385 2.743 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.221 -3.500 3.052 1.00 0.20 H new ATOM 0 HG21 ILE A 58 4.783 -3.269 4.549 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.369 -2.564 6.075 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.463 -1.624 4.566 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.584 -4.480 1.522 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.637 -5.393 3.048 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.300 -4.262 2.735 1.00 0.17 H new ATOM 901 N LYS A 59 7.615 -1.393 7.572 1.00 0.40 N ATOM 902 CA LYS A 59 7.617 -1.413 9.034 1.00 0.53 C ATOM 903 C LYS A 59 6.242 -1.676 9.648 1.00 0.52 C ATOM 904 O LYS A 59 6.134 -2.449 10.600 1.00 0.61 O ATOM 905 CB LYS A 59 8.178 -0.096 9.571 1.00 0.65 C ATOM 906 CG LYS A 59 9.070 -0.268 10.789 1.00 0.83 C ATOM 907 CD LYS A 59 9.711 1.047 11.204 1.00 1.03 C ATOM 908 CE LYS A 59 11.104 0.830 11.774 1.00 1.51 C ATOM 909 NZ LYS A 59 11.594 2.023 12.519 1.00 2.14 N ATOM 0 H LYS A 59 7.304 -0.514 7.159 1.00 0.40 H new ATOM 0 HA LYS A 59 8.252 -2.249 9.328 1.00 0.53 H new ATOM 0 HB2 LYS A 59 8.746 0.396 8.782 1.00 0.65 H new ATOM 0 HB3 LYS A 59 7.350 0.565 9.828 1.00 0.65 H new ATOM 0 HG2 LYS A 59 8.483 -0.665 11.617 1.00 0.83 H new ATOM 0 HG3 LYS A 59 9.848 -1.000 10.571 1.00 0.83 H new ATOM 0 HD2 LYS A 59 9.768 1.713 10.343 1.00 1.03 H new ATOM 0 HD3 LYS A 59 9.085 1.540 11.948 1.00 1.03 H new ATOM 0 HE2 LYS A 59 11.093 -0.033 12.439 1.00 1.51 H new ATOM 0 HE3 LYS A 59 11.795 0.599 10.964 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 12.546 1.833 12.891 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 11.629 2.842 11.879 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 10.949 2.228 13.308 1.00 2.14 H new ATOM 923 N LYS A 60 5.197 -1.033 9.141 1.00 0.44 N ATOM 924 CA LYS A 60 3.868 -1.235 9.715 1.00 0.45 C ATOM 925 C LYS A 60 2.767 -1.303 8.657 1.00 0.37 C ATOM 926 O LYS A 60 2.753 -0.533 7.697 1.00 0.53 O ATOM 927 CB LYS A 60 3.563 -0.133 10.745 1.00 0.55 C ATOM 928 CG LYS A 60 2.986 1.151 10.157 1.00 0.76 C ATOM 929 CD LYS A 60 3.928 1.793 9.150 1.00 0.51 C ATOM 930 CE LYS A 60 5.257 2.177 9.782 1.00 0.71 C ATOM 931 NZ LYS A 60 5.119 3.327 10.719 1.00 1.35 N ATOM 0 H LYS A 60 5.237 -0.384 8.355 1.00 0.44 H new ATOM 0 HA LYS A 60 3.879 -2.205 10.213 1.00 0.45 H new ATOM 0 HB2 LYS A 60 2.861 -0.527 11.480 1.00 0.55 H new ATOM 0 HB3 LYS A 60 4.482 0.110 11.279 1.00 0.55 H new ATOM 0 HG2 LYS A 60 2.034 0.932 9.674 1.00 0.76 H new ATOM 0 HG3 LYS A 60 2.780 1.857 10.961 1.00 0.76 H new ATOM 0 HD2 LYS A 60 4.104 1.102 8.326 1.00 0.51 H new ATOM 0 HD3 LYS A 60 3.457 2.680 8.727 1.00 0.51 H new ATOM 0 HE2 LYS A 60 5.664 1.320 10.318 1.00 0.71 H new ATOM 0 HE3 LYS A 60 5.971 2.432 8.998 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 6.009 3.459 11.240 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 4.902 4.190 10.180 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 4.349 3.136 11.392 1.00 1.35 H new ATOM 945 N LEU A 61 1.833 -2.228 8.870 1.00 0.35 N ATOM 946 CA LEU A 61 0.697 -2.416 7.977 1.00 0.37 C ATOM 947 C LEU A 61 -0.604 -2.282 8.761 1.00 0.56 C ATOM 948 O LEU A 61 -1.051 -3.226 9.413 1.00 0.94 O ATOM 949 CB LEU A 61 0.762 -3.791 7.307 1.00 0.39 C ATOM 950 CG LEU A 61 1.612 -3.860 6.036 1.00 0.33 C ATOM 951 CD1 LEU A 61 1.421 -5.199 5.342 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.259 -2.717 5.099 1.00 0.91 C ATOM 0 H LEU A 61 1.844 -2.866 9.666 1.00 0.35 H new ATOM 0 HA LEU A 61 0.732 -1.650 7.202 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.155 -4.509 8.027 1.00 0.39 H new ATOM 0 HB3 LEU A 61 -0.253 -4.106 7.063 1.00 0.39 H new ATOM 0 HG LEU A 61 2.661 -3.764 6.315 1.00 0.33 H new ATOM 0 HD11 LEU A 61 2.032 -5.232 4.440 1.00 1.14 H new ATOM 0 HD12 LEU A 61 1.722 -6.003 6.014 1.00 1.14 H new ATOM 0 HD13 LEU A 61 0.372 -5.323 5.074 1.00 1.14 H new ATOM 0 HD21 LEU A 61 1.872 -2.781 4.200 1.00 0.91 H new ATOM 0 HD22 LEU A 61 0.206 -2.783 4.825 1.00 0.91 H new ATOM 0 HD23 LEU A 61 1.445 -1.766 5.599 1.00 0.91 H new ATOM 964 N TYR A 62 -1.194 -1.095 8.708 1.00 0.68 N ATOM 965 CA TYR A 62 -2.430 -0.815 9.427 1.00 0.88 C ATOM 966 C TYR A 62 -3.615 -1.597 8.864 1.00 0.75 C ATOM 967 O TYR A 62 -4.441 -2.109 9.620 1.00 0.87 O ATOM 968 CB TYR A 62 -2.733 0.683 9.379 1.00 1.16 C ATOM 969 CG TYR A 62 -3.442 1.192 10.613 1.00 1.24 C ATOM 970 CD1 TYR A 62 -3.029 0.806 11.882 1.00 1.55 C ATOM 971 CD2 TYR A 62 -4.526 2.055 10.511 1.00 1.81 C ATOM 972 CE1 TYR A 62 -3.675 1.265 13.013 1.00 2.07 C ATOM 973 CE2 TYR A 62 -5.178 2.518 11.638 1.00 2.35 C ATOM 974 CZ TYR A 62 -4.749 2.120 12.886 1.00 2.38 C ATOM 975 OH TYR A 62 -5.396 2.578 14.011 1.00 3.08 O ATOM 0 H TYR A 62 -0.834 -0.306 8.171 1.00 0.68 H new ATOM 0 HA TYR A 62 -2.285 -1.133 10.459 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -1.799 1.231 9.253 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -3.347 0.894 8.503 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -2.189 0.136 11.986 1.00 1.55 H new ATOM 0 HD2 TYR A 62 -4.865 2.369 9.535 1.00 1.81 H new ATOM 0 HE1 TYR A 62 -3.340 0.956 13.992 1.00 2.07 H new ATOM 0 HE2 TYR A 62 -6.019 3.188 11.541 1.00 2.35 H new ATOM 0 HH TYR A 62 -6.130 3.172 13.747 1.00 3.08 H new ATOM 985 N TYR A 63 -3.709 -1.671 7.541 1.00 0.64 N ATOM 986 CA TYR A 63 -4.816 -2.375 6.900 1.00 0.62 C ATOM 987 C TYR A 63 -4.387 -3.738 6.359 1.00 0.63 C ATOM 988 O TYR A 63 -3.340 -3.867 5.725 1.00 0.73 O ATOM 989 CB TYR A 63 -5.399 -1.515 5.775 1.00 0.79 C ATOM 990 CG TYR A 63 -5.869 -0.150 6.238 1.00 1.02 C ATOM 991 CD1 TYR A 63 -6.262 0.064 7.555 1.00 1.16 C ATOM 992 CD2 TYR A 63 -5.918 0.925 5.358 1.00 1.28 C ATOM 993 CE1 TYR A 63 -6.691 1.308 7.980 1.00 1.45 C ATOM 994 CE2 TYR A 63 -6.345 2.172 5.776 1.00 1.56 C ATOM 995 CZ TYR A 63 -6.731 2.357 7.088 1.00 1.60 C ATOM 996 OH TYR A 63 -7.158 3.597 7.507 1.00 1.93 O ATOM 0 H TYR A 63 -3.038 -1.256 6.895 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.582 -2.551 7.656 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.645 -1.387 4.999 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -6.237 -2.044 5.321 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -6.232 -0.756 8.258 1.00 1.16 H new ATOM 0 HD2 TYR A 63 -5.617 0.784 4.330 1.00 1.28 H new ATOM 0 HE1 TYR A 63 -6.993 1.456 9.006 1.00 1.45 H new ATOM 0 HE2 TYR A 63 -6.376 2.997 5.079 1.00 1.56 H new ATOM 0 HH TYR A 63 -7.938 3.870 6.980 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.212 -4.751 6.622 1.00 0.63 N ATOM 1007 CA ASN A 64 -4.941 -6.113 6.176 1.00 0.67 C ATOM 1008 C ASN A 64 -5.980 -6.585 5.164 1.00 0.49 C ATOM 1009 O ASN A 64 -6.831 -5.818 4.714 1.00 0.47 O ATOM 1010 CB ASN A 64 -4.941 -7.070 7.368 1.00 0.93 C ATOM 1011 CG ASN A 64 -3.850 -6.750 8.372 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -3.789 -5.643 8.908 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -2.982 -7.720 8.632 1.00 1.03 N ATOM 0 H ASN A 64 -6.081 -4.650 7.147 1.00 0.63 H new ATOM 0 HA ASN A 64 -3.961 -6.111 5.699 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -5.911 -7.027 7.864 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -4.812 -8.091 7.010 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -2.227 -7.563 9.299 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -3.070 -8.622 8.165 1.00 1.03 H new ATOM 1020 N LEU A 65 -5.891 -7.863 4.818 1.00 0.54 N ATOM 1021 CA LEU A 65 -6.793 -8.489 3.870 1.00 0.54 C ATOM 1022 C LEU A 65 -8.261 -8.252 4.224 1.00 0.66 C ATOM 1023 O LEU A 65 -9.130 -8.287 3.353 1.00 0.77 O ATOM 1024 CB LEU A 65 -6.511 -9.987 3.845 1.00 0.66 C ATOM 1025 CG LEU A 65 -5.184 -10.382 3.197 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -4.154 -10.728 4.261 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -5.381 -11.550 2.241 1.00 1.04 C ATOM 0 H LEU A 65 -5.184 -8.496 5.192 1.00 0.54 H new ATOM 0 HA LEU A 65 -6.620 -8.043 2.891 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -6.524 -10.361 4.869 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -7.321 -10.486 3.313 1.00 0.66 H new ATOM 0 HG LEU A 65 -4.814 -9.531 2.625 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -3.216 -11.007 3.782 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -3.990 -9.863 4.904 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -4.517 -11.562 4.861 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -4.425 -11.816 1.790 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -5.775 -12.406 2.789 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -6.085 -11.265 1.459 1.00 1.04 H new ATOM 1039 N ASP A 66 -8.538 -8.039 5.506 1.00 0.75 N ATOM 1040 CA ASP A 66 -9.909 -7.832 5.963 1.00 0.92 C ATOM 1041 C ASP A 66 -10.245 -6.354 6.154 1.00 0.87 C ATOM 1042 O ASP A 66 -11.410 -5.966 6.080 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.139 -8.585 7.275 1.00 1.12 C ATOM 1044 CG ASP A 66 -11.592 -8.968 7.476 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -12.119 -9.752 6.659 1.00 2.33 O ATOM 1046 OD2 ASP A 66 -12.203 -8.484 8.452 1.00 2.30 O ATOM 0 H ASP A 66 -7.835 -8.005 6.245 1.00 0.75 H new ATOM 0 HA ASP A 66 -10.569 -8.219 5.186 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -9.524 -9.485 7.287 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -9.811 -7.964 8.109 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.235 -5.532 6.418 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.462 -4.106 6.638 1.00 0.81 C ATOM 1053 C ASP A 67 -9.641 -3.340 5.329 1.00 0.69 C ATOM 1054 O ASP A 67 -9.122 -3.735 4.277 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.316 -3.495 7.442 1.00 0.92 C ATOM 1056 CG ASP A 67 -7.918 -4.356 8.626 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -7.706 -5.571 8.433 1.00 1.54 O ATOM 1058 OD2 ASP A 67 -7.819 -3.813 9.747 1.00 1.85 O ATOM 0 H ASP A 67 -8.260 -5.824 6.485 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.389 -4.018 7.204 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -7.453 -3.355 6.791 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.611 -2.507 7.797 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.385 -2.237 5.418 1.00 0.83 N ATOM 1064 CA ILE A 68 -10.662 -1.378 4.271 1.00 0.78 C ATOM 1065 C ILE A 68 -9.763 -0.158 4.283 1.00 0.99 C ATOM 1066 O ILE A 68 -9.512 0.438 5.331 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.132 -0.898 4.244 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -13.055 -1.868 4.990 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.598 -0.732 2.807 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.119 -3.238 4.356 1.00 1.10 C ATOM 0 H ILE A 68 -10.811 -1.916 6.287 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.470 -1.981 3.383 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.180 0.064 4.753 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -12.711 -1.967 6.019 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -14.059 -1.446 5.029 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.634 -0.394 2.797 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -11.971 0.004 2.304 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.523 -1.687 2.288 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -13.789 -3.875 4.933 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -13.492 -3.150 3.335 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -12.122 -3.679 4.341 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.291 0.214 3.107 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.430 1.368 2.966 1.00 1.34 C ATOM 1084 C ALA A 69 -9.230 2.567 2.484 1.00 1.19 C ATOM 1085 O ALA A 69 -10.247 2.412 1.783 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.291 1.065 2.007 1.00 2.16 C ATOM 0 H ALA A 69 -9.492 -0.271 2.233 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.004 1.606 3.941 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.652 1.943 1.912 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.705 0.230 2.391 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.698 0.804 1.030 1.00 2.16 H new ATOM 1092 N TYR A 70 -8.757 3.756 2.859 1.00 1.18 N ATOM 1093 CA TYR A 70 -9.400 5.012 2.480 1.00 1.38 C ATOM 1094 C TYR A 70 -8.372 5.991 1.913 1.00 1.17 C ATOM 1095 O TYR A 70 -7.204 5.973 2.303 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.111 5.658 3.681 1.00 1.97 C ATOM 1097 CG TYR A 70 -10.299 4.741 4.873 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -11.011 3.554 4.757 1.00 3.17 C ATOM 1099 CD2 TYR A 70 -9.758 5.064 6.111 1.00 3.47 C ATOM 1100 CE1 TYR A 70 -11.179 2.714 5.842 1.00 4.07 C ATOM 1101 CE2 TYR A 70 -9.920 4.229 7.200 1.00 4.42 C ATOM 1102 CZ TYR A 70 -10.631 3.056 7.061 1.00 4.67 C ATOM 1103 OH TYR A 70 -10.795 2.223 8.143 1.00 5.65 O ATOM 0 H TYR A 70 -7.921 3.874 3.431 1.00 1.18 H new ATOM 0 HA TYR A 70 -10.143 4.783 1.716 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -9.540 6.531 3.998 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -11.088 6.016 3.358 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -11.440 3.283 3.804 1.00 3.17 H new ATOM 0 HD2 TYR A 70 -9.202 5.983 6.224 1.00 3.47 H new ATOM 0 HE1 TYR A 70 -11.736 1.795 5.736 1.00 4.07 H new ATOM 0 HE2 TYR A 70 -9.492 4.494 8.155 1.00 4.42 H new ATOM 0 HH TYR A 70 -10.347 2.609 8.924 1.00 5.65 H new ATOM 1113 N VAL A 71 -8.812 6.839 0.987 1.00 1.69 N ATOM 1114 CA VAL A 71 -7.932 7.824 0.361 1.00 2.02 C ATOM 1115 C VAL A 71 -7.813 9.083 1.217 1.00 2.00 C ATOM 1116 O VAL A 71 -8.788 9.539 1.815 1.00 2.35 O ATOM 1117 CB VAL A 71 -8.421 8.198 -1.063 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -7.697 9.425 -1.611 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -8.233 7.022 -2.001 1.00 3.61 C ATOM 0 H VAL A 71 -9.775 6.864 0.652 1.00 1.69 H new ATOM 0 HA VAL A 71 -6.947 7.364 0.278 1.00 2.02 H new ATOM 0 HB VAL A 71 -9.480 8.445 -0.994 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -8.070 9.652 -2.610 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -7.876 10.277 -0.955 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -6.627 9.224 -1.660 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -8.579 7.293 -2.998 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -7.177 6.755 -2.043 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -8.808 6.171 -1.637 1.00 3.61 H new ATOM 1129 N GLY A 72 -6.608 9.640 1.261 1.00 1.84 N ATOM 1130 CA GLY A 72 -6.373 10.843 2.034 1.00 1.87 C ATOM 1131 C GLY A 72 -5.276 10.680 3.070 1.00 1.57 C ATOM 1132 O GLY A 72 -4.820 11.666 3.649 1.00 1.63 O ATOM 0 H GLY A 72 -5.788 9.278 0.773 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -6.108 11.656 1.358 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -7.297 11.133 2.534 1.00 1.87 H new ATOM 1136 N LYS A 73 -4.843 9.445 3.304 1.00 1.31 N ATOM 1137 CA LYS A 73 -3.786 9.193 4.277 1.00 1.09 C ATOM 1138 C LYS A 73 -3.077 7.865 4.005 1.00 0.83 C ATOM 1139 O LYS A 73 -3.727 6.841 3.795 1.00 0.79 O ATOM 1140 CB LYS A 73 -4.360 9.194 5.694 1.00 1.27 C ATOM 1141 CG LYS A 73 -5.196 7.966 6.013 1.00 1.59 C ATOM 1142 CD LYS A 73 -6.043 8.175 7.257 1.00 1.98 C ATOM 1143 CE LYS A 73 -5.197 8.607 8.444 1.00 2.32 C ATOM 1144 NZ LYS A 73 -5.329 7.670 9.593 1.00 2.96 N ATOM 0 H LYS A 73 -5.203 8.612 2.839 1.00 1.31 H new ATOM 0 HA LYS A 73 -3.052 9.994 4.183 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -3.540 9.261 6.409 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -4.973 10.085 5.828 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -5.842 7.735 5.166 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -4.541 7.107 6.158 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -6.803 8.930 7.057 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -6.567 7.251 7.500 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -4.151 8.665 8.142 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -5.495 9.608 8.756 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -4.736 8.001 10.381 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -6.322 7.633 9.899 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -5.021 6.720 9.303 1.00 2.96 H new ATOM 1158 N PRO A 74 -1.730 7.860 4.020 1.00 0.75 N ATOM 1159 CA PRO A 74 -0.948 6.641 3.788 1.00 0.64 C ATOM 1160 C PRO A 74 -1.274 5.561 4.812 1.00 0.53 C ATOM 1161 O PRO A 74 -1.450 5.848 5.996 1.00 0.75 O ATOM 1162 CB PRO A 74 0.508 7.101 3.938 1.00 0.77 C ATOM 1163 CG PRO A 74 0.471 8.581 3.762 1.00 0.87 C ATOM 1164 CD PRO A 74 -0.868 9.026 4.274 1.00 0.91 C ATOM 0 HA PRO A 74 -1.160 6.198 2.815 1.00 0.64 H new ATOM 0 HB2 PRO A 74 0.908 6.831 4.915 1.00 0.77 H new ATOM 0 HB3 PRO A 74 1.148 6.632 3.191 1.00 0.77 H new ATOM 0 HG2 PRO A 74 1.279 9.060 4.315 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.598 8.852 2.714 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -0.831 9.276 5.334 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -1.225 9.913 3.750 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.368 4.319 4.351 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.690 3.206 5.236 1.00 0.49 C ATOM 1174 C LEU A 75 -0.442 2.414 5.629 1.00 0.46 C ATOM 1175 O LEU A 75 -0.439 1.720 6.646 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.725 2.284 4.580 1.00 0.64 C ATOM 1177 CG LEU A 75 -2.374 1.790 3.172 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -2.009 0.312 3.205 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -3.531 2.037 2.205 1.00 1.32 C ATOM 0 H LEU A 75 -1.227 4.058 3.375 1.00 0.40 H new ATOM 0 HA LEU A 75 -2.115 3.623 6.149 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -2.872 1.417 5.224 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -3.678 2.812 4.533 1.00 0.64 H new ATOM 0 HG LEU A 75 -1.511 2.353 2.817 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -1.762 -0.024 2.198 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -1.149 0.164 3.858 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -2.854 -0.263 3.583 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -3.259 1.678 1.212 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -4.416 1.504 2.553 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -3.745 3.105 2.159 1.00 1.32 H new ATOM 1191 N VAL A 76 0.617 2.516 4.830 1.00 0.32 N ATOM 1192 CA VAL A 76 1.857 1.795 5.125 1.00 0.29 C ATOM 1193 C VAL A 76 3.088 2.644 4.826 1.00 0.27 C ATOM 1194 O VAL A 76 3.042 3.535 3.984 1.00 0.35 O ATOM 1195 CB VAL A 76 1.956 0.492 4.309 1.00 0.36 C ATOM 1196 CG1 VAL A 76 1.873 0.792 2.823 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.244 -0.254 4.631 1.00 0.47 C ATOM 0 H VAL A 76 0.645 3.083 3.983 1.00 0.32 H new ATOM 0 HA VAL A 76 1.829 1.562 6.189 1.00 0.29 H new ATOM 0 HB VAL A 76 1.117 -0.147 4.583 1.00 0.36 H new ATOM 0 HG11 VAL A 76 1.944 -0.138 2.259 1.00 0.37 H new ATOM 0 HG12 VAL A 76 0.923 1.278 2.602 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.692 1.452 2.539 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.291 -1.170 4.042 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.100 0.376 4.389 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.265 -0.503 5.692 1.00 0.47 H new ATOM 1207 N ASP A 77 4.192 2.344 5.510 1.00 0.30 N ATOM 1208 CA ASP A 77 5.442 3.060 5.303 1.00 0.41 C ATOM 1209 C ASP A 77 6.520 2.083 4.847 1.00 0.38 C ATOM 1210 O ASP A 77 6.806 1.096 5.530 1.00 0.41 O ATOM 1211 CB ASP A 77 5.899 3.760 6.584 1.00 0.58 C ATOM 1212 CG ASP A 77 4.753 4.270 7.446 1.00 0.78 C ATOM 1213 OD1 ASP A 77 3.592 4.245 6.985 1.00 1.10 O ATOM 1214 OD2 ASP A 77 5.021 4.699 8.588 1.00 0.87 O ATOM 0 H ASP A 77 4.242 1.607 6.213 1.00 0.30 H new ATOM 0 HA ASP A 77 5.277 3.819 4.538 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.502 3.067 7.170 1.00 0.58 H new ATOM 0 HB3 ASP A 77 6.543 4.598 6.319 1.00 0.58 H new ATOM 1219 N ILE A 78 7.106 2.352 3.687 1.00 0.44 N ATOM 1220 CA ILE A 78 8.141 1.480 3.138 1.00 0.42 C ATOM 1221 C ILE A 78 9.321 2.289 2.624 1.00 0.41 C ATOM 1222 O ILE A 78 9.144 3.380 2.099 1.00 0.51 O ATOM 1223 CB ILE A 78 7.604 0.614 1.978 1.00 0.42 C ATOM 1224 CG1 ILE A 78 6.104 0.352 2.144 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.372 -0.695 1.897 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.240 1.486 1.638 1.00 0.86 C ATOM 0 H ILE A 78 6.885 3.163 3.109 1.00 0.44 H new ATOM 0 HA ILE A 78 8.461 0.831 3.953 1.00 0.42 H new ATOM 0 HB ILE A 78 7.750 1.159 1.045 1.00 0.42 H new ATOM 0 HG12 ILE A 78 5.841 -0.562 1.612 1.00 0.53 H new ATOM 0 HG13 ILE A 78 5.886 0.181 3.198 1.00 0.53 H new ATOM 0 HG21 ILE A 78 7.982 -1.295 1.075 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.428 -0.487 1.726 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.257 -1.243 2.832 1.00 0.48 H new ATOM 0 HD11 ILE A 78 4.189 1.236 1.785 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.477 2.397 2.187 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.430 1.643 0.576 1.00 0.86 H new ATOM 1238 N GLU A 79 10.524 1.746 2.758 1.00 0.29 N ATOM 1239 CA GLU A 79 11.712 2.440 2.283 1.00 0.29 C ATOM 1240 C GLU A 79 12.129 1.899 0.924 1.00 0.47 C ATOM 1241 O GLU A 79 12.494 0.734 0.799 1.00 0.79 O ATOM 1242 CB GLU A 79 12.857 2.287 3.285 1.00 0.62 C ATOM 1243 CG GLU A 79 13.397 3.614 3.790 1.00 0.92 C ATOM 1244 CD GLU A 79 14.576 4.110 2.975 1.00 0.96 C ATOM 1245 OE1 GLU A 79 15.697 3.598 3.179 1.00 1.39 O ATOM 1246 OE2 GLU A 79 14.377 5.009 2.132 1.00 1.09 O ATOM 0 H GLU A 79 10.702 0.838 3.187 1.00 0.29 H new ATOM 0 HA GLU A 79 11.477 3.500 2.183 1.00 0.29 H new ATOM 0 HB2 GLU A 79 12.511 1.697 4.134 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.667 1.728 2.817 1.00 0.62 H new ATOM 0 HG2 GLU A 79 12.602 4.359 3.764 1.00 0.92 H new ATOM 0 HG3 GLU A 79 13.699 3.507 4.832 1.00 0.92 H new ATOM 1253 N THR A 80 12.062 2.756 -0.091 1.00 0.64 N ATOM 1254 CA THR A 80 12.416 2.374 -1.453 1.00 1.05 C ATOM 1255 C THR A 80 13.175 3.493 -2.156 1.00 1.00 C ATOM 1256 O THR A 80 13.077 4.658 -1.771 1.00 1.22 O ATOM 1257 CB THR A 80 11.168 2.014 -2.280 1.00 1.51 C ATOM 1258 OG1 THR A 80 10.082 2.882 -1.933 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.763 0.565 -2.045 1.00 1.18 C ATOM 0 H THR A 80 11.763 3.726 0.006 1.00 0.64 H new ATOM 0 HA THR A 80 13.056 1.495 -1.379 1.00 1.05 H new ATOM 0 HB THR A 80 11.409 2.141 -3.335 1.00 1.51 H new ATOM 0 HG1 THR A 80 9.255 2.551 -2.342 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.879 0.333 -2.639 1.00 1.18 H new ATOM 0 HG22 THR A 80 11.581 -0.093 -2.338 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.539 0.417 -0.989 1.00 1.18 H new ATOM 1267 N GLU A 81 13.935 3.135 -3.186 1.00 1.27 N ATOM 1268 CA GLU A 81 14.712 4.117 -3.933 1.00 1.30 C ATOM 1269 C GLU A 81 13.807 5.219 -4.473 1.00 1.99 C ATOM 1270 O GLU A 81 12.729 4.950 -5.003 1.00 2.56 O ATOM 1271 CB GLU A 81 15.455 3.438 -5.085 1.00 1.53 C ATOM 1272 CG GLU A 81 16.335 2.282 -4.641 1.00 1.62 C ATOM 1273 CD GLU A 81 17.559 2.110 -5.518 1.00 2.40 C ATOM 1274 OE1 GLU A 81 17.391 1.841 -6.726 1.00 3.13 O ATOM 1275 OE2 GLU A 81 18.687 2.243 -4.997 1.00 2.85 O ATOM 0 H GLU A 81 14.029 2.176 -3.521 1.00 1.27 H new ATOM 0 HA GLU A 81 15.440 4.565 -3.257 1.00 1.30 H new ATOM 0 HB2 GLU A 81 14.728 3.073 -5.811 1.00 1.53 H new ATOM 0 HB3 GLU A 81 16.071 4.178 -5.596 1.00 1.53 H new ATOM 0 HG2 GLU A 81 16.651 2.446 -3.611 1.00 1.62 H new ATOM 0 HG3 GLU A 81 15.752 1.361 -4.653 1.00 1.62 H new ATOM 1282 N ALA A 82 14.252 6.464 -4.317 1.00 2.01 N ATOM 1283 CA ALA A 82 13.493 7.630 -4.768 1.00 2.67 C ATOM 1284 C ALA A 82 12.793 7.386 -6.103 1.00 3.02 C ATOM 1285 O ALA A 82 13.439 7.273 -7.145 1.00 3.10 O ATOM 1286 CB ALA A 82 14.409 8.840 -4.868 1.00 2.85 C ATOM 0 H ALA A 82 15.143 6.693 -3.877 1.00 2.01 H new ATOM 0 HA ALA A 82 12.716 7.819 -4.027 1.00 2.67 H new ATOM 0 HB1 ALA A 82 13.835 9.704 -5.205 1.00 2.85 H new ATOM 0 HB2 ALA A 82 14.842 9.051 -3.890 1.00 2.85 H new ATOM 0 HB3 ALA A 82 15.207 8.634 -5.581 1.00 2.85 H new ATOM 1292 N LEU A 83 11.466 7.315 -6.058 1.00 3.31 N ATOM 1293 CA LEU A 83 10.665 7.095 -7.257 1.00 3.73 C ATOM 1294 C LEU A 83 9.650 8.221 -7.429 1.00 4.31 C ATOM 1295 O LEU A 83 8.882 8.521 -6.514 1.00 4.31 O ATOM 1296 CB LEU A 83 9.947 5.745 -7.181 1.00 3.56 C ATOM 1297 CG LEU A 83 10.311 4.751 -8.287 1.00 3.51 C ATOM 1298 CD1 LEU A 83 11.650 4.092 -7.995 1.00 3.49 C ATOM 1299 CD2 LEU A 83 9.219 3.701 -8.437 1.00 3.60 C ATOM 0 H LEU A 83 10.921 7.407 -5.201 1.00 3.31 H new ATOM 0 HA LEU A 83 11.331 7.087 -8.120 1.00 3.73 H new ATOM 0 HB2 LEU A 83 10.168 5.288 -6.216 1.00 3.56 H new ATOM 0 HB3 LEU A 83 8.872 5.921 -7.212 1.00 3.56 H new ATOM 0 HG LEU A 83 10.397 5.297 -9.227 1.00 3.51 H new ATOM 0 HD11 LEU A 83 11.891 3.389 -8.792 1.00 3.49 H new ATOM 0 HD12 LEU A 83 12.426 4.855 -7.937 1.00 3.49 H new ATOM 0 HD13 LEU A 83 11.594 3.559 -7.046 1.00 3.49 H new ATOM 0 HD21 LEU A 83 9.493 3.002 -9.227 1.00 3.60 H new ATOM 0 HD22 LEU A 83 9.103 3.160 -7.498 1.00 3.60 H new ATOM 0 HD23 LEU A 83 8.278 4.188 -8.694 1.00 3.60 H new