USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot 180:sc= 0.236 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.293 (180deg=-0.442) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.29 (180deg=1.08) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= 0.109 (180deg=-0.271!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00215 USER MOD Single : A 25 ASN : amide:sc= -0.0382 K(o=-0.038,f=-0.59) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 1.18 (180deg=-0.964) USER MOD Single : A 29 LYS NZ :NH3+ -114:sc= 1.21 (180deg=-0.162) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.23 (180deg=1.14) USER MOD Single : A 40 GLN : amide:sc= -0.011 K(o=-0.011,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0.0382 K(o=0.038,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.0044) USER MOD Single : A 55 THR OG1 : rot -68:sc= 1.46 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.579 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.103 K(o=-0.1,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 150:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.155 4.877 -4.520 1.00 9.67 N ATOM 2 CA MET A 1 -11.994 5.367 -3.133 1.00 10.38 C ATOM 3 C MET A 1 -10.573 5.725 -2.861 1.00 9.62 C ATOM 4 O MET A 1 -9.668 5.215 -3.519 1.00 9.62 O ATOM 5 CB MET A 1 -12.410 4.214 -2.204 1.00 13.77 C ATOM 6 CG MET A 1 -11.623 2.908 -2.071 1.00 16.29 C ATOM 7 SD MET A 1 -12.152 1.646 -0.874 1.00 17.17 S ATOM 8 CE MET A 1 -10.493 0.925 -0.706 1.00 16.11 C ATOM 0 H1 MET A 1 -13.026 4.314 -4.590 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.213 5.687 -5.170 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.339 4.286 -4.776 1.00 9.67 H new ATOM 0 HA MET A 1 -12.602 6.257 -2.973 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.475 4.636 -1.201 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.422 3.934 -2.497 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.608 2.437 -3.054 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.594 3.173 -1.829 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.457 0.299 0.186 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.269 0.319 -1.584 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.756 1.724 -0.619 1.00 16.11 H new ATOM 20 N GLN A 2 -10.344 6.688 -1.952 1.00 9.27 N ATOM 21 CA GLN A 2 -9.036 7.102 -1.548 1.00 9.07 C ATOM 22 C GLN A 2 -8.554 6.307 -0.384 1.00 8.72 C ATOM 23 O GLN A 2 -9.361 5.711 0.328 1.00 8.22 O ATOM 24 CB GLN A 2 -8.988 8.623 -1.324 1.00 14.46 C ATOM 25 CG GLN A 2 -9.329 9.560 -2.484 1.00 17.01 C ATOM 26 CD GLN A 2 -9.200 11.039 -2.147 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.028 11.443 -0.998 1.00 21.89 O ATOM 28 NE2 GLN A 2 -9.515 11.818 -3.215 1.00 19.49 N ATOM 0 H GLN A 2 -11.093 7.196 -1.482 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.334 6.894 -2.356 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.668 8.855 -0.504 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -7.983 8.873 -0.985 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -8.675 9.332 -3.326 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.350 9.360 -2.810 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -9.639 11.396 -4.135 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -9.627 12.825 -3.096 1.00 19.49 H new ATOM 37 N ILE A 3 -7.224 6.111 -0.339 1.00 5.87 N ATOM 38 CA ILE A 3 -6.528 5.368 0.666 1.00 5.07 C ATOM 39 C ILE A 3 -5.323 6.188 0.976 1.00 4.01 C ATOM 40 O ILE A 3 -4.794 6.793 0.045 1.00 4.61 O ATOM 41 CB ILE A 3 -6.036 4.000 0.297 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.678 3.962 -1.198 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.201 3.035 0.572 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.791 2.810 -1.667 1.00 10.83 C ATOM 0 H ILE A 3 -6.598 6.494 -1.047 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.238 5.196 1.475 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.147 3.729 0.867 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.606 3.929 -1.768 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.181 4.898 -1.452 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.899 2.019 0.320 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.471 3.082 1.627 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.060 3.319 -0.036 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.614 2.900 -2.739 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.839 2.845 -1.138 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.286 1.862 -1.460 1.00 10.83 H new ATOM 56 N PHE A 4 -4.894 6.277 2.247 1.00 4.55 N ATOM 57 CA PHE A 4 -3.636 6.873 2.575 1.00 4.68 C ATOM 58 C PHE A 4 -2.514 5.910 2.761 1.00 5.30 C ATOM 59 O PHE A 4 -2.732 4.788 3.214 1.00 5.58 O ATOM 60 CB PHE A 4 -3.787 7.738 3.838 1.00 4.83 C ATOM 61 CG PHE A 4 -4.973 8.638 3.904 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.302 9.575 2.953 1.00 6.69 C ATOM 63 CD2 PHE A 4 -5.806 8.530 4.992 1.00 8.34 C ATOM 64 CE1 PHE A 4 -6.488 10.270 3.010 1.00 9.10 C ATOM 65 CE2 PHE A 4 -7.030 9.156 5.025 1.00 10.61 C ATOM 66 CZ PHE A 4 -7.395 10.007 4.008 1.00 8.90 C ATOM 0 H PHE A 4 -5.420 5.935 3.051 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.364 7.478 1.710 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.817 7.074 4.702 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.891 8.351 3.938 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.614 9.770 2.143 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -5.492 7.940 5.840 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -6.707 11.024 2.268 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -7.705 8.979 5.850 1.00 10.61 H new ATOM 0 HZ PHE A 4 -8.375 10.460 3.994 1.00 8.90 H new ATOM 76 N VAL A 5 -1.307 6.307 2.318 1.00 4.44 N ATOM 77 CA VAL A 5 -0.150 5.484 2.485 1.00 3.87 C ATOM 78 C VAL A 5 0.906 6.331 3.108 1.00 4.93 C ATOM 79 O VAL A 5 1.411 7.339 2.619 1.00 6.84 O ATOM 80 CB VAL A 5 0.323 4.964 1.160 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.651 4.206 1.330 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.786 4.158 0.464 1.00 9.13 C ATOM 0 H VAL A 5 -1.133 7.194 1.846 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.382 4.624 3.113 1.00 3.87 H new ATOM 0 HB VAL A 5 0.538 5.795 0.489 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.984 3.833 0.361 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.405 4.879 1.738 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.507 3.367 2.011 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.421 3.790 -0.495 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.071 3.314 1.092 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.653 4.798 0.301 1.00 9.13 H new ATOM 92 N LYS A 6 1.263 6.030 4.369 1.00 6.04 N ATOM 93 CA LYS A 6 2.142 6.799 5.195 1.00 6.12 C ATOM 94 C LYS A 6 3.474 6.182 5.449 1.00 6.57 C ATOM 95 O LYS A 6 3.591 5.011 5.807 1.00 5.76 O ATOM 96 CB LYS A 6 1.422 6.971 6.543 1.00 7.45 C ATOM 97 CG LYS A 6 2.144 7.837 7.578 1.00 11.12 C ATOM 98 CD LYS A 6 1.379 7.803 8.903 1.00 14.54 C ATOM 99 CE LYS A 6 1.846 8.896 9.865 1.00 18.84 C ATOM 100 NZ LYS A 6 1.006 8.999 11.079 1.00 20.55 N ATOM 0 H LYS A 6 0.915 5.196 4.842 1.00 6.04 H new ATOM 0 HA LYS A 6 2.352 7.733 4.673 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.440 7.405 6.356 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.258 5.984 6.974 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.161 7.473 7.725 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.221 8.863 7.218 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.313 7.923 8.709 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.510 6.828 9.372 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.876 8.697 10.159 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.843 9.854 9.346 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.372 9.756 11.691 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.027 9.218 10.806 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.028 8.096 11.594 1.00 20.55 H new ATOM 114 N THR A 7 4.651 6.815 5.300 1.00 7.41 N ATOM 115 CA THR A 7 5.952 6.272 5.539 1.00 7.48 C ATOM 116 C THR A 7 6.223 6.362 7.002 1.00 8.75 C ATOM 117 O THR A 7 5.544 7.115 7.698 1.00 8.58 O ATOM 118 CB THR A 7 7.051 6.870 4.712 1.00 9.61 C ATOM 119 OG1 THR A 7 6.889 8.274 4.578 1.00 11.78 O ATOM 120 CG2 THR A 7 7.040 6.154 3.350 1.00 9.17 C ATOM 0 H THR A 7 4.695 7.785 4.987 1.00 7.41 H new ATOM 0 HA THR A 7 5.946 5.232 5.213 1.00 7.48 H new ATOM 0 HB THR A 7 8.017 6.729 5.196 1.00 9.61 H new ATOM 0 HG1 THR A 7 7.620 8.637 4.036 1.00 11.78 H new ATOM 0 HG21 THR A 7 7.828 6.563 2.718 1.00 9.17 H new ATOM 0 HG22 THR A 7 7.210 5.088 3.498 1.00 9.17 H new ATOM 0 HG23 THR A 7 6.074 6.304 2.868 1.00 9.17 H new ATOM 128 N LEU A 8 7.190 5.642 7.598 1.00 9.84 N ATOM 129 CA LEU A 8 7.653 5.836 8.937 1.00 14.15 C ATOM 130 C LEU A 8 8.203 7.189 9.230 1.00 17.37 C ATOM 131 O LEU A 8 8.121 7.758 10.317 1.00 17.01 O ATOM 132 CB LEU A 8 8.623 4.751 9.434 1.00 16.63 C ATOM 133 CG LEU A 8 8.020 3.337 9.391 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.077 2.252 9.118 1.00 18.59 C ATOM 135 CD2 LEU A 8 7.235 2.946 10.654 1.00 19.31 C ATOM 0 H LEU A 8 7.675 4.883 7.119 1.00 9.84 H new ATOM 0 HA LEU A 8 6.728 5.744 9.507 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.526 4.773 8.824 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.923 4.981 10.456 1.00 16.63 H new ATOM 0 HG LEU A 8 7.317 3.386 8.560 1.00 18.88 H new ATOM 0 HD11 LEU A 8 8.597 1.273 9.098 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.554 2.442 8.156 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.830 2.271 9.906 1.00 18.59 H new ATOM 0 HD21 LEU A 8 6.844 1.935 10.541 1.00 19.31 H new ATOM 0 HD22 LEU A 8 7.896 2.984 11.520 1.00 19.31 H new ATOM 0 HD23 LEU A 8 6.408 3.641 10.798 1.00 19.31 H new ATOM 147 N THR A 9 8.933 7.702 8.223 1.00 18.33 N ATOM 148 CA THR A 9 9.591 8.969 8.291 1.00 19.24 C ATOM 149 C THR A 9 8.635 10.108 8.388 1.00 19.48 C ATOM 150 O THR A 9 8.505 10.847 9.363 1.00 23.14 O ATOM 151 CB THR A 9 10.594 9.245 7.210 1.00 18.97 C ATOM 152 OG1 THR A 9 10.107 9.023 5.895 1.00 20.24 O ATOM 153 CG2 THR A 9 11.749 8.236 7.324 1.00 19.70 C ATOM 0 H THR A 9 9.069 7.220 7.334 1.00 18.33 H new ATOM 0 HA THR A 9 10.161 8.888 9.216 1.00 19.24 H new ATOM 0 HB THR A 9 10.868 10.291 7.348 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.813 9.225 5.246 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.481 8.431 6.541 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.225 8.337 8.299 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.360 7.224 7.213 1.00 19.70 H new ATOM 161 N GLY A 10 7.750 10.224 7.382 1.00 19.43 N ATOM 162 CA GLY A 10 6.619 11.077 7.578 1.00 18.74 C ATOM 163 C GLY A 10 6.205 11.809 6.348 1.00 17.62 C ATOM 164 O GLY A 10 6.330 13.032 6.344 1.00 19.74 O ATOM 0 H GLY A 10 7.808 9.755 6.478 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.780 10.479 7.935 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.850 11.800 8.360 1.00 18.74 H new ATOM 168 N LYS A 11 5.756 11.122 5.283 1.00 13.56 N ATOM 169 CA LYS A 11 4.923 11.706 4.279 1.00 11.91 C ATOM 170 C LYS A 11 3.756 10.802 4.080 1.00 10.18 C ATOM 171 O LYS A 11 3.981 9.614 3.852 1.00 9.10 O ATOM 172 CB LYS A 11 5.800 11.845 3.023 1.00 13.43 C ATOM 173 CG LYS A 11 5.295 12.650 1.823 1.00 16.69 C ATOM 174 CD LYS A 11 6.383 12.957 0.792 1.00 17.92 C ATOM 175 CE LYS A 11 6.095 13.870 -0.401 1.00 20.81 C ATOM 176 NZ LYS A 11 5.361 13.181 -1.486 1.00 21.93 N ATOM 0 H LYS A 11 5.976 10.140 5.116 1.00 13.56 H new ATOM 0 HA LYS A 11 4.531 12.688 4.542 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.746 12.287 3.335 1.00 13.43 H new ATOM 0 HB3 LYS A 11 6.021 10.838 2.668 1.00 13.43 H new ATOM 0 HG2 LYS A 11 4.491 12.097 1.337 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.868 13.588 2.179 1.00 16.69 H new ATOM 0 HD2 LYS A 11 7.223 13.392 1.333 1.00 17.92 H new ATOM 0 HD3 LYS A 11 6.722 12.002 0.390 1.00 17.92 H new ATOM 0 HE2 LYS A 11 5.514 14.729 -0.064 1.00 20.81 H new ATOM 0 HE3 LYS A 11 7.036 14.256 -0.793 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 5.680 13.545 -2.407 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.545 12.159 -1.435 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 4.341 13.355 -1.380 1.00 21.93 H new ATOM 190 N THR A 12 2.510 11.303 4.003 1.00 9.63 N ATOM 191 CA THR A 12 1.323 10.558 3.721 1.00 9.85 C ATOM 192 C THR A 12 0.890 10.850 2.325 1.00 11.66 C ATOM 193 O THR A 12 0.614 11.976 1.915 1.00 12.33 O ATOM 194 CB THR A 12 0.219 11.047 4.610 1.00 10.85 C ATOM 195 OG1 THR A 12 0.661 11.051 5.960 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.865 9.962 4.496 1.00 9.63 C ATOM 0 H THR A 12 2.321 12.295 4.148 1.00 9.63 H new ATOM 0 HA THR A 12 1.523 9.497 3.870 1.00 9.85 H new ATOM 0 HB THR A 12 -0.114 12.048 4.334 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.061 11.372 6.540 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.719 10.234 5.117 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.184 9.875 3.458 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.461 9.007 4.833 1.00 9.63 H new ATOM 204 N ILE A 13 0.790 9.821 1.465 1.00 10.42 N ATOM 205 CA ILE A 13 0.390 10.019 0.106 1.00 11.84 C ATOM 206 C ILE A 13 -0.958 9.396 -0.016 1.00 10.55 C ATOM 207 O ILE A 13 -1.237 8.400 0.650 1.00 11.92 O ATOM 208 CB ILE A 13 1.397 9.507 -0.881 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.623 7.987 -0.955 1.00 14.87 C ATOM 210 CG2 ILE A 13 2.739 10.244 -0.741 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.780 7.550 -1.851 1.00 16.46 C ATOM 0 H ILE A 13 0.986 8.851 1.711 1.00 10.42 H new ATOM 0 HA ILE A 13 0.335 11.079 -0.142 1.00 11.84 H new ATOM 0 HB ILE A 13 0.922 9.735 -1.835 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.802 7.612 0.053 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.708 7.516 -1.313 1.00 14.87 H new ATOM 0 HG21 ILE A 13 3.448 9.851 -1.470 1.00 17.08 H new ATOM 0 HG22 ILE A 13 2.589 11.309 -0.919 1.00 17.08 H new ATOM 0 HG23 ILE A 13 3.132 10.096 0.265 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.860 6.463 -1.838 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.598 7.889 -2.871 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.709 7.986 -1.484 1.00 16.46 H new ATOM 223 N THR A 14 -1.810 10.026 -0.845 1.00 9.39 N ATOM 224 CA THR A 14 -3.167 9.629 -1.061 1.00 9.63 C ATOM 225 C THR A 14 -3.325 9.011 -2.407 1.00 11.20 C ATOM 226 O THR A 14 -2.909 9.641 -3.378 1.00 11.63 O ATOM 227 CB THR A 14 -4.215 10.695 -0.941 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.010 11.357 0.299 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.574 9.985 -0.813 1.00 11.66 C ATOM 0 H THR A 14 -1.542 10.847 -1.388 1.00 9.39 H new ATOM 0 HA THR A 14 -3.342 8.931 -0.242 1.00 9.63 H new ATOM 0 HB THR A 14 -4.176 11.379 -1.789 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.681 12.063 0.408 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.366 10.729 -0.723 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.750 9.373 -1.698 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.571 9.350 0.073 1.00 11.66 H new ATOM 237 N LEU A 15 -3.823 7.763 -2.481 1.00 8.29 N ATOM 238 CA LEU A 15 -3.943 7.085 -3.734 1.00 9.03 C ATOM 239 C LEU A 15 -5.382 6.761 -3.947 1.00 8.59 C ATOM 240 O LEU A 15 -6.185 6.683 -3.018 1.00 7.79 O ATOM 241 CB LEU A 15 -3.122 5.785 -3.751 1.00 11.08 C ATOM 242 CG LEU A 15 -1.615 5.979 -3.511 1.00 15.79 C ATOM 243 CD1 LEU A 15 -0.991 4.577 -3.402 1.00 15.27 C ATOM 244 CD2 LEU A 15 -0.944 6.662 -4.714 1.00 15.88 C ATOM 0 H LEU A 15 -4.142 7.225 -1.675 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.562 7.730 -4.526 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.515 5.112 -2.989 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.263 5.293 -4.714 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.473 6.589 -2.619 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.082 4.668 -3.231 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.447 4.040 -2.570 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.165 4.028 -4.328 1.00 15.27 H new ATOM 0 HD21 LEU A 15 0.121 6.786 -4.515 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.078 6.046 -5.603 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.398 7.639 -4.878 1.00 15.88 H new ATOM 256 N GLU A 16 -5.771 6.448 -5.195 1.00 11.04 N ATOM 257 CA GLU A 16 -7.061 5.969 -5.582 1.00 11.50 C ATOM 258 C GLU A 16 -7.022 4.517 -5.914 1.00 10.13 C ATOM 259 O GLU A 16 -6.183 4.059 -6.688 1.00 9.83 O ATOM 260 CB GLU A 16 -7.534 6.906 -6.706 1.00 17.22 C ATOM 261 CG GLU A 16 -8.927 6.580 -7.250 1.00 23.33 C ATOM 262 CD GLU A 16 -9.444 7.769 -8.048 1.00 26.99 C ATOM 263 OE1 GLU A 16 -8.756 8.105 -9.049 1.00 28.86 O ATOM 264 OE2 GLU A 16 -10.529 8.325 -7.733 1.00 28.90 O ATOM 0 H GLU A 16 -5.138 6.536 -5.990 1.00 11.04 H new ATOM 0 HA GLU A 16 -7.794 6.005 -4.776 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.532 7.931 -6.334 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -6.817 6.863 -7.526 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -8.885 5.693 -7.882 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.607 6.354 -6.429 1.00 23.33 H new ATOM 271 N VAL A 17 -7.969 3.706 -5.410 1.00 8.99 N ATOM 272 CA VAL A 17 -8.221 2.362 -5.830 1.00 8.85 C ATOM 273 C VAL A 17 -9.684 2.136 -5.659 1.00 8.04 C ATOM 274 O VAL A 17 -10.346 3.031 -5.136 1.00 8.99 O ATOM 275 CB VAL A 17 -7.471 1.513 -4.847 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.937 1.576 -4.944 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.895 1.595 -3.371 1.00 10.54 C ATOM 0 H VAL A 17 -8.596 4.007 -4.664 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.926 2.148 -6.857 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.798 0.537 -5.204 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.498 0.925 -4.188 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.621 1.247 -5.934 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.604 2.601 -4.779 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.269 0.931 -2.775 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.779 2.619 -3.015 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.938 1.294 -3.275 1.00 10.54 H new ATOM 287 N GLU A 18 -10.273 1.108 -6.295 1.00 7.29 N ATOM 288 CA GLU A 18 -11.536 0.525 -5.964 1.00 7.08 C ATOM 289 C GLU A 18 -11.249 -0.424 -4.851 1.00 6.45 C ATOM 290 O GLU A 18 -10.091 -0.759 -4.608 1.00 5.28 O ATOM 291 CB GLU A 18 -12.169 -0.091 -7.223 1.00 10.28 C ATOM 292 CG GLU A 18 -12.607 0.896 -8.308 1.00 12.65 C ATOM 293 CD GLU A 18 -13.802 1.685 -7.792 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.680 1.139 -7.071 1.00 18.17 O ATOM 295 OE2 GLU A 18 -13.832 2.917 -8.053 1.00 14.33 O ATOM 0 H GLU A 18 -9.835 0.653 -7.096 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.287 1.237 -5.621 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.454 -0.787 -7.661 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.038 -0.675 -6.920 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.788 1.570 -8.559 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.872 0.362 -9.221 1.00 12.65 H new ATOM 302 N PRO A 19 -12.217 -0.987 -4.190 1.00 7.24 N ATOM 303 CA PRO A 19 -11.898 -2.043 -3.274 1.00 7.07 C ATOM 304 C PRO A 19 -11.458 -3.276 -3.986 1.00 6.65 C ATOM 305 O PRO A 19 -10.764 -4.121 -3.425 1.00 6.37 O ATOM 306 CB PRO A 19 -13.262 -2.446 -2.719 1.00 7.61 C ATOM 307 CG PRO A 19 -13.968 -1.089 -2.574 1.00 8.16 C ATOM 308 CD PRO A 19 -13.464 -0.337 -3.817 1.00 7.49 C ATOM 0 HA PRO A 19 -11.133 -1.712 -2.572 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.796 -3.112 -3.396 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.176 -2.964 -1.764 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -15.053 -1.191 -2.570 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.692 -0.582 -1.650 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.191 -0.389 -4.628 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.305 0.719 -3.598 1.00 7.49 H new ATOM 316 N SER A 20 -11.884 -3.447 -5.251 1.00 6.80 N ATOM 317 CA SER A 20 -11.670 -4.608 -6.058 1.00 6.28 C ATOM 318 C SER A 20 -10.290 -4.623 -6.620 1.00 8.45 C ATOM 319 O SER A 20 -10.059 -5.524 -7.425 1.00 7.26 O ATOM 320 CB SER A 20 -12.574 -4.633 -7.302 1.00 8.57 C ATOM 321 OG SER A 20 -13.856 -5.155 -6.985 1.00 11.13 O ATOM 0 H SER A 20 -12.413 -2.726 -5.741 1.00 6.80 H new ATOM 0 HA SER A 20 -11.872 -5.448 -5.393 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.676 -3.625 -7.703 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.112 -5.240 -8.080 1.00 8.57 H new ATOM 0 HG SER A 20 -14.415 -5.160 -7.790 1.00 11.13 H new ATOM 327 N ASP A 21 -9.338 -3.745 -6.258 1.00 7.50 N ATOM 328 CA ASP A 21 -8.079 -3.830 -6.932 1.00 7.70 C ATOM 329 C ASP A 21 -7.092 -4.381 -5.961 1.00 7.08 C ATOM 330 O ASP A 21 -7.328 -4.466 -4.757 1.00 8.11 O ATOM 331 CB ASP A 21 -7.675 -2.375 -7.225 1.00 11.00 C ATOM 332 CG ASP A 21 -8.580 -1.733 -8.266 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.947 -2.465 -9.224 1.00 18.03 O ATOM 334 OD2 ASP A 21 -8.968 -0.539 -8.153 1.00 14.36 O ATOM 0 H ASP A 21 -9.426 -3.020 -5.546 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.122 -4.444 -7.832 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.714 -1.795 -6.303 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.643 -2.348 -7.575 1.00 11.00 H new ATOM 339 N THR A 22 -5.937 -4.901 -6.413 1.00 5.37 N ATOM 340 CA THR A 22 -5.017 -5.605 -5.575 1.00 6.01 C ATOM 341 C THR A 22 -3.957 -4.747 -4.976 1.00 8.01 C ATOM 342 O THR A 22 -3.646 -3.629 -5.385 1.00 8.11 O ATOM 343 CB THR A 22 -4.404 -6.802 -6.240 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.610 -6.572 -7.394 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.596 -7.634 -6.742 1.00 9.65 C ATOM 0 H THR A 22 -5.635 -4.830 -7.385 1.00 5.37 H new ATOM 0 HA THR A 22 -5.641 -5.959 -4.754 1.00 6.01 H new ATOM 0 HB THR A 22 -3.740 -7.248 -5.499 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.268 -7.426 -7.731 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.229 -8.530 -7.242 1.00 9.65 H new ATOM 0 HG22 THR A 22 -6.221 -7.921 -5.897 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.183 -7.042 -7.444 1.00 9.65 H new ATOM 353 N ILE A 23 -3.283 -5.267 -3.934 1.00 8.32 N ATOM 354 CA ILE A 23 -2.201 -4.551 -3.334 1.00 9.92 C ATOM 355 C ILE A 23 -1.014 -4.473 -4.231 1.00 10.01 C ATOM 356 O ILE A 23 -0.199 -3.552 -4.209 1.00 8.71 O ATOM 357 CB ILE A 23 -1.852 -5.207 -2.031 1.00 10.78 C ATOM 358 CG1 ILE A 23 -3.125 -5.353 -1.180 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.845 -4.375 -1.219 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.728 -3.991 -0.839 1.00 12.30 C ATOM 0 H ILE A 23 -3.484 -6.173 -3.511 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.517 -3.523 -3.156 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.408 -6.175 -2.264 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.858 -5.952 -1.720 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.890 -5.889 -0.260 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.621 -4.887 -0.283 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.073 -4.252 -1.794 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -1.272 -3.396 -1.003 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.626 -4.131 -0.237 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.003 -3.402 -0.277 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.986 -3.467 -1.759 1.00 12.30 H new ATOM 372 N GLU A 24 -0.823 -5.398 -5.189 1.00 9.54 N ATOM 373 CA GLU A 24 0.052 -5.229 -6.307 1.00 11.81 C ATOM 374 C GLU A 24 -0.199 -3.993 -7.101 1.00 11.14 C ATOM 375 O GLU A 24 0.720 -3.202 -7.307 1.00 10.62 O ATOM 376 CB GLU A 24 -0.027 -6.493 -7.180 1.00 19.24 C ATOM 377 CG GLU A 24 0.574 -6.324 -8.577 1.00 27.76 C ATOM 378 CD GLU A 24 1.117 -7.591 -9.223 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.462 -8.664 -9.149 1.00 34.80 O ATOM 380 OE2 GLU A 24 2.300 -7.462 -9.636 1.00 36.51 O ATOM 0 H GLU A 24 -1.298 -6.301 -5.184 1.00 9.54 H new ATOM 0 HA GLU A 24 1.062 -5.095 -5.920 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.488 -7.307 -6.670 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.071 -6.789 -7.279 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.189 -5.904 -9.232 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.381 -5.594 -8.519 1.00 27.76 H new ATOM 387 N ASN A 25 -1.472 -3.748 -7.459 1.00 9.43 N ATOM 388 CA ASN A 25 -1.960 -2.533 -8.033 1.00 10.96 C ATOM 389 C ASN A 25 -1.862 -1.298 -7.205 1.00 9.68 C ATOM 390 O ASN A 25 -1.655 -0.252 -7.818 1.00 9.33 O ATOM 391 CB ASN A 25 -3.357 -2.823 -8.607 1.00 16.78 C ATOM 392 CG ASN A 25 -3.860 -1.800 -9.615 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.863 -1.112 -9.435 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.017 -1.563 -10.656 1.00 24.70 N ATOM 0 H ASN A 25 -2.207 -4.445 -7.339 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.275 -2.247 -8.831 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.342 -3.804 -9.083 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.068 -2.880 -7.783 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -3.211 -0.802 -11.306 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.191 -2.147 -10.786 1.00 24.70 H new ATOM 401 N VAL A 26 -1.934 -1.338 -5.862 1.00 6.52 N ATOM 402 CA VAL A 26 -1.578 -0.265 -4.987 1.00 5.53 C ATOM 403 C VAL A 26 -0.126 0.069 -5.019 1.00 4.42 C ATOM 404 O VAL A 26 0.163 1.244 -5.238 1.00 3.40 O ATOM 405 CB VAL A 26 -1.898 -0.669 -3.579 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.292 0.179 -2.448 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.426 -0.709 -3.411 1.00 8.12 C ATOM 0 H VAL A 26 -2.258 -2.165 -5.360 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.139 0.607 -5.322 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.424 -1.644 -3.463 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.604 -0.224 -1.484 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.204 0.154 -2.517 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.638 1.209 -2.540 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.672 -1.002 -2.390 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.840 0.278 -3.615 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.850 -1.432 -4.108 1.00 8.12 H new ATOM 417 N LYS A 27 0.803 -0.896 -4.896 1.00 2.64 N ATOM 418 CA LYS A 27 2.220 -0.701 -4.935 1.00 4.14 C ATOM 419 C LYS A 27 2.707 -0.149 -6.230 1.00 5.58 C ATOM 420 O LYS A 27 3.740 0.517 -6.234 1.00 4.11 O ATOM 421 CB LYS A 27 2.994 -2.005 -4.680 1.00 3.97 C ATOM 422 CG LYS A 27 2.811 -2.525 -3.253 1.00 7.45 C ATOM 423 CD LYS A 27 3.734 -3.732 -3.076 1.00 9.02 C ATOM 424 CE LYS A 27 3.564 -4.833 -4.125 1.00 12.90 C ATOM 425 NZ LYS A 27 4.397 -5.960 -3.649 1.00 15.47 N ATOM 0 H LYS A 27 0.548 -1.874 -4.761 1.00 2.64 H new ATOM 0 HA LYS A 27 2.408 0.021 -4.140 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.661 -2.766 -5.386 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.054 -1.837 -4.869 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.055 -1.748 -2.529 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.773 -2.809 -3.079 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.768 -3.387 -3.097 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.562 -4.161 -2.089 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.519 -5.129 -4.219 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.888 -4.492 -5.108 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.997 -6.301 -4.427 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.998 -5.640 -2.863 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 3.782 -6.732 -3.322 1.00 15.47 H new ATOM 439 N ALA A 28 2.052 -0.467 -7.361 1.00 6.61 N ATOM 440 CA ALA A 28 2.218 0.095 -8.666 1.00 7.74 C ATOM 441 C ALA A 28 1.735 1.503 -8.590 1.00 9.17 C ATOM 442 O ALA A 28 2.346 2.408 -9.156 1.00 11.45 O ATOM 443 CB ALA A 28 1.357 -0.715 -9.649 1.00 7.68 C ATOM 0 H ALA A 28 1.334 -1.191 -7.358 1.00 6.61 H new ATOM 0 HA ALA A 28 3.255 0.069 -9.002 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.467 -0.305 -10.653 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.681 -1.756 -9.645 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.311 -0.660 -9.347 1.00 7.68 H new ATOM 449 N LYS A 29 0.697 1.885 -7.825 1.00 8.96 N ATOM 450 CA LYS A 29 0.292 3.253 -7.722 1.00 7.90 C ATOM 451 C LYS A 29 1.138 4.145 -6.880 1.00 6.92 C ATOM 452 O LYS A 29 1.208 5.361 -7.052 1.00 6.87 O ATOM 453 CB LYS A 29 -1.216 3.322 -7.430 1.00 10.28 C ATOM 454 CG LYS A 29 -2.091 2.916 -8.618 1.00 14.94 C ATOM 455 CD LYS A 29 -3.576 3.226 -8.416 1.00 19.69 C ATOM 456 CE LYS A 29 -4.385 3.310 -9.711 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.813 3.578 -9.428 1.00 24.98 N ATOM 0 H LYS A 29 0.133 1.239 -7.272 1.00 8.96 H new ATOM 0 HA LYS A 29 0.478 3.700 -8.698 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.443 2.673 -6.584 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.473 4.338 -7.131 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.739 3.431 -9.512 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -1.972 1.848 -8.798 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.012 2.457 -7.779 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.668 4.172 -7.882 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -3.982 4.100 -10.345 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.289 2.376 -10.265 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.383 2.756 -9.711 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.938 3.752 -8.410 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.122 4.415 -9.963 1.00 24.98 H new ATOM 471 N ILE A 30 1.922 3.563 -5.955 1.00 4.57 N ATOM 472 CA ILE A 30 3.008 4.214 -5.291 1.00 5.58 C ATOM 473 C ILE A 30 4.125 4.461 -6.246 1.00 7.26 C ATOM 474 O ILE A 30 4.726 5.533 -6.278 1.00 9.46 O ATOM 475 CB ILE A 30 3.453 3.574 -4.009 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.239 3.293 -3.108 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.606 4.317 -3.313 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.502 2.129 -2.154 1.00 2.00 C ATOM 0 H ILE A 30 1.793 2.596 -5.657 1.00 4.57 H new ATOM 0 HA ILE A 30 2.623 5.176 -4.954 1.00 5.58 H new ATOM 0 HB ILE A 30 3.899 2.610 -4.253 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.997 4.187 -2.533 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.371 3.067 -3.727 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.873 3.795 -2.394 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.471 4.349 -3.976 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.293 5.334 -3.075 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.622 1.961 -1.534 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.718 1.229 -2.729 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.354 2.366 -1.517 1.00 2.00 H new ATOM 490 N GLN A 31 4.487 3.452 -7.057 1.00 7.06 N ATOM 491 CA GLN A 31 5.418 3.571 -8.136 1.00 8.67 C ATOM 492 C GLN A 31 5.089 4.729 -9.014 1.00 10.90 C ATOM 493 O GLN A 31 5.904 5.502 -9.514 1.00 9.63 O ATOM 494 CB GLN A 31 5.434 2.263 -8.946 1.00 9.12 C ATOM 495 CG GLN A 31 6.473 2.321 -10.068 1.00 10.76 C ATOM 496 CD GLN A 31 6.481 0.976 -10.780 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.690 0.095 -10.446 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.320 0.694 -11.813 1.00 14.76 N ATOM 0 H GLN A 31 4.113 2.508 -6.956 1.00 7.06 H new ATOM 0 HA GLN A 31 6.409 3.751 -7.720 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.655 1.425 -8.285 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.446 2.082 -9.370 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.231 3.120 -10.769 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.460 2.541 -9.661 1.00 10.76 H new ATOM 0 HE21 GLN A 31 7.994 1.392 -12.127 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.275 -0.215 -12.273 1.00 14.76 H new ATOM 507 N ASP A 32 3.789 4.950 -9.278 1.00 10.93 N ATOM 508 CA ASP A 32 3.234 5.990 -10.087 1.00 14.01 C ATOM 509 C ASP A 32 3.308 7.298 -9.377 1.00 14.04 C ATOM 510 O ASP A 32 4.022 8.231 -9.740 1.00 13.39 O ATOM 511 CB ASP A 32 1.840 5.589 -10.597 1.00 18.01 C ATOM 512 CG ASP A 32 1.396 6.506 -11.727 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.745 6.251 -12.911 1.00 26.29 O ATOM 514 OD2 ASP A 32 0.707 7.528 -11.466 1.00 25.17 O ATOM 0 H ASP A 32 3.064 4.346 -8.890 1.00 10.93 H new ATOM 0 HA ASP A 32 3.829 6.130 -10.989 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.858 4.556 -10.946 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.121 5.637 -9.779 1.00 18.01 H new ATOM 519 N LYS A 33 2.616 7.481 -8.238 1.00 14.22 N ATOM 520 CA LYS A 33 2.408 8.820 -7.782 1.00 14.00 C ATOM 521 C LYS A 33 3.569 9.410 -7.058 1.00 12.37 C ATOM 522 O LYS A 33 3.798 10.614 -7.158 1.00 12.17 O ATOM 523 CB LYS A 33 1.122 8.839 -6.940 1.00 18.62 C ATOM 524 CG LYS A 33 0.455 10.214 -6.856 1.00 24.00 C ATOM 525 CD LYS A 33 -0.945 10.101 -6.250 1.00 27.61 C ATOM 526 CE LYS A 33 -1.642 11.455 -6.099 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.955 11.311 -5.431 1.00 30.06 N ATOM 0 H LYS A 33 2.218 6.743 -7.657 1.00 14.22 H new ATOM 0 HA LYS A 33 2.300 9.465 -8.654 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.413 8.127 -7.362 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.355 8.497 -5.932 1.00 18.62 H new ATOM 0 HG2 LYS A 33 1.066 10.883 -6.250 1.00 24.00 H new ATOM 0 HG3 LYS A 33 0.391 10.654 -7.851 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.556 9.452 -6.878 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.874 9.624 -5.273 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.010 12.130 -5.522 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.779 11.908 -7.081 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.280 12.242 -5.100 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -3.646 10.923 -6.104 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.863 10.667 -4.619 1.00 30.06 H new ATOM 541 N GLU A 34 4.375 8.535 -6.430 1.00 10.11 N ATOM 542 CA GLU A 34 5.500 8.960 -5.656 1.00 10.07 C ATOM 543 C GLU A 34 6.811 8.761 -6.335 1.00 9.32 C ATOM 544 O GLU A 34 7.636 9.671 -6.401 1.00 11.61 O ATOM 545 CB GLU A 34 5.490 8.268 -4.283 1.00 14.77 C ATOM 546 CG GLU A 34 6.408 8.912 -3.241 1.00 18.75 C ATOM 547 CD GLU A 34 5.981 10.256 -2.670 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.270 11.067 -3.322 1.00 21.95 O ATOM 549 OE2 GLU A 34 6.405 10.553 -1.521 1.00 25.19 O ATOM 0 H GLU A 34 4.245 7.524 -6.459 1.00 10.11 H new ATOM 0 HA GLU A 34 5.394 10.037 -5.529 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.470 8.266 -3.899 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.783 7.226 -4.413 1.00 14.77 H new ATOM 0 HG2 GLU A 34 6.519 8.213 -2.412 1.00 18.75 H new ATOM 0 HG3 GLU A 34 7.394 9.034 -3.690 1.00 18.75 H new ATOM 556 N GLY A 35 7.048 7.495 -6.724 1.00 7.22 N ATOM 557 CA GLY A 35 8.143 7.030 -7.517 1.00 6.29 C ATOM 558 C GLY A 35 9.062 6.042 -6.884 1.00 6.93 C ATOM 559 O GLY A 35 10.259 5.980 -7.158 1.00 7.41 O ATOM 0 H GLY A 35 6.420 6.735 -6.461 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.739 6.584 -8.425 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.732 7.895 -7.822 1.00 6.29 H new ATOM 563 N ILE A 36 8.518 5.279 -5.919 1.00 5.86 N ATOM 564 CA ILE A 36 9.315 4.347 -5.184 1.00 6.07 C ATOM 565 C ILE A 36 9.196 3.015 -5.842 1.00 6.36 C ATOM 566 O ILE A 36 8.097 2.597 -6.204 1.00 6.18 O ATOM 567 CB ILE A 36 8.815 4.273 -3.772 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.693 5.637 -3.072 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.641 3.280 -2.937 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.076 5.653 -1.674 1.00 9.49 C ATOM 0 H ILE A 36 7.535 5.307 -5.649 1.00 5.86 H new ATOM 0 HA ILE A 36 10.359 4.660 -5.169 1.00 6.07 H new ATOM 0 HB ILE A 36 7.794 3.898 -3.845 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.690 6.073 -3.006 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.100 6.292 -3.710 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.253 3.250 -1.919 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.573 2.287 -3.381 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.683 3.599 -2.919 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.051 6.676 -1.299 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.061 5.258 -1.720 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.675 5.036 -1.005 1.00 9.49 H new ATOM 582 N PRO A 37 10.197 2.220 -6.080 1.00 8.65 N ATOM 583 CA PRO A 37 10.014 0.972 -6.763 1.00 9.18 C ATOM 584 C PRO A 37 9.229 -0.014 -5.968 1.00 9.85 C ATOM 585 O PRO A 37 9.264 0.150 -4.749 1.00 8.51 O ATOM 586 CB PRO A 37 11.452 0.509 -6.992 1.00 11.42 C ATOM 587 CG PRO A 37 12.220 1.811 -7.270 1.00 9.27 C ATOM 588 CD PRO A 37 11.559 2.712 -6.214 1.00 8.33 C ATOM 0 HA PRO A 37 9.435 1.073 -7.681 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.848 -0.010 -6.119 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.520 -0.182 -7.832 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.295 1.706 -7.120 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.074 2.177 -8.286 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.091 2.658 -5.264 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.570 3.756 -6.527 1.00 8.33 H new ATOM 596 N PRO A 38 8.562 -1.029 -6.430 1.00 8.71 N ATOM 597 CA PRO A 38 7.722 -1.940 -5.708 1.00 9.08 C ATOM 598 C PRO A 38 8.485 -3.057 -5.084 1.00 9.28 C ATOM 599 O PRO A 38 7.853 -3.811 -4.345 1.00 6.50 O ATOM 600 CB PRO A 38 6.600 -2.327 -6.669 1.00 10.31 C ATOM 601 CG PRO A 38 7.391 -2.427 -7.983 1.00 10.81 C ATOM 602 CD PRO A 38 8.252 -1.161 -7.846 1.00 12.00 C ATOM 0 HA PRO A 38 7.273 -1.485 -4.825 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.125 -3.270 -6.396 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.812 -1.575 -6.714 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.988 -3.337 -8.046 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.749 -2.405 -8.863 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.164 -1.245 -8.437 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.716 -0.285 -8.210 1.00 12.00 H new ATOM 610 N ASP A 39 9.772 -3.247 -5.424 1.00 11.20 N ATOM 611 CA ASP A 39 10.574 -4.217 -4.745 1.00 14.96 C ATOM 612 C ASP A 39 10.950 -3.757 -3.378 1.00 13.99 C ATOM 613 O ASP A 39 10.852 -4.527 -2.424 1.00 13.75 O ATOM 614 CB ASP A 39 11.776 -4.417 -5.683 1.00 24.16 C ATOM 615 CG ASP A 39 12.587 -5.642 -5.282 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.964 -6.735 -5.221 1.00 35.55 O ATOM 617 OD2 ASP A 39 13.810 -5.622 -4.981 1.00 34.22 O ATOM 0 H ASP A 39 10.254 -2.734 -6.162 1.00 11.20 H new ATOM 0 HA ASP A 39 10.055 -5.158 -4.561 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.426 -4.529 -6.709 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.412 -3.532 -5.658 1.00 24.16 H new ATOM 622 N GLN A 40 11.360 -2.496 -3.153 1.00 11.60 N ATOM 623 CA GLN A 40 11.766 -1.931 -1.904 1.00 10.76 C ATOM 624 C GLN A 40 10.655 -1.697 -0.939 1.00 8.01 C ATOM 625 O GLN A 40 10.875 -1.070 0.096 1.00 8.96 O ATOM 626 CB GLN A 40 12.637 -0.686 -2.147 1.00 11.14 C ATOM 627 CG GLN A 40 13.591 -0.382 -0.991 1.00 14.85 C ATOM 628 CD GLN A 40 13.952 1.095 -1.062 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.389 2.095 -0.618 1.00 20.52 O ATOM 630 NE2 GLN A 40 15.076 1.255 -1.811 1.00 18.16 N ATOM 0 H GLN A 40 11.411 -1.815 -3.911 1.00 11.60 H new ATOM 0 HA GLN A 40 12.375 -2.681 -1.400 1.00 10.76 H new ATOM 0 HB2 GLN A 40 13.216 -0.828 -3.059 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.990 0.176 -2.311 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.120 -0.615 -0.036 1.00 14.85 H new ATOM 0 HG3 GLN A 40 14.487 -0.998 -1.063 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.558 0.439 -2.188 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.437 2.191 -1.995 1.00 18.16 H new ATOM 639 N GLN A 41 9.449 -2.237 -1.190 1.00 6.52 N ATOM 640 CA GLN A 41 8.260 -1.817 -0.515 1.00 3.87 C ATOM 641 C GLN A 41 7.621 -2.881 0.310 1.00 4.79 C ATOM 642 O GLN A 41 7.310 -3.979 -0.149 1.00 6.34 O ATOM 643 CB GLN A 41 7.145 -1.351 -1.467 1.00 4.20 C ATOM 644 CG GLN A 41 7.425 0.042 -2.034 1.00 3.20 C ATOM 645 CD GLN A 41 6.334 0.449 -3.014 1.00 4.89 C ATOM 646 OE1 GLN A 41 5.195 0.045 -2.785 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.656 1.298 -4.027 1.00 7.13 N ATOM 0 H GLN A 41 9.297 -2.978 -1.874 1.00 6.52 H new ATOM 0 HA GLN A 41 8.633 -1.002 0.106 1.00 3.87 H new ATOM 0 HB2 GLN A 41 7.046 -2.063 -2.286 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.194 -1.342 -0.935 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.481 0.767 -1.222 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.393 0.049 -2.535 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.624 1.592 -4.158 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.929 1.641 -4.656 1.00 7.13 H new ATOM 656 N ARG A 42 7.333 -2.586 1.590 1.00 5.73 N ATOM 657 CA ARG A 42 6.562 -3.521 2.348 1.00 6.97 C ATOM 658 C ARG A 42 5.449 -2.742 2.960 1.00 7.15 C ATOM 659 O ARG A 42 5.679 -1.695 3.564 1.00 7.33 O ATOM 660 CB ARG A 42 7.452 -4.104 3.459 1.00 13.23 C ATOM 661 CG ARG A 42 6.744 -5.228 4.218 1.00 21.27 C ATOM 662 CD ARG A 42 6.346 -6.442 3.376 1.00 26.14 C ATOM 663 NE ARG A 42 7.700 -7.008 3.117 1.00 32.26 N ATOM 664 CZ ARG A 42 7.933 -7.898 2.109 1.00 34.32 C ATOM 665 NH1 ARG A 42 6.974 -8.349 1.248 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.218 -8.249 1.811 1.00 36.39 N ATOM 0 H ARG A 42 7.618 -1.740 2.083 1.00 5.73 H new ATOM 0 HA ARG A 42 6.183 -4.336 1.732 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.376 -4.484 3.023 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.730 -3.313 4.156 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.395 -5.565 5.024 1.00 21.27 H new ATOM 0 HG3 ARG A 42 5.846 -4.820 4.683 1.00 21.27 H new ATOM 0 HD2 ARG A 42 5.698 -7.133 3.915 1.00 26.14 H new ATOM 0 HD3 ARG A 42 5.824 -6.165 2.460 1.00 26.14 H new ATOM 0 HE ARG A 42 8.477 -6.721 3.712 1.00 32.26 H new ATOM 0 HH11 ARG A 42 6.013 -8.019 1.337 1.00 35.30 H new ATOM 0 HH12 ARG A 42 7.219 -9.016 0.516 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.992 -7.847 2.340 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.404 -8.913 1.060 1.00 36.39 H new ATOM 680 N LEU A 43 4.208 -3.236 2.806 1.00 4.65 N ATOM 681 CA LEU A 43 3.106 -2.654 3.508 1.00 3.51 C ATOM 682 C LEU A 43 2.709 -3.479 4.684 1.00 5.56 C ATOM 683 O LEU A 43 2.621 -4.701 4.586 1.00 4.19 O ATOM 684 CB LEU A 43 1.931 -2.512 2.526 1.00 3.74 C ATOM 685 CG LEU A 43 2.104 -1.616 1.288 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.055 -1.790 0.176 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.079 -0.184 1.848 1.00 9.55 C ATOM 0 H LEU A 43 3.969 -4.025 2.206 1.00 4.65 H new ATOM 0 HA LEU A 43 3.399 -1.676 3.891 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.670 -3.511 2.176 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.075 -2.137 3.087 1.00 3.74 H new ATOM 0 HG LEU A 43 3.029 -1.885 0.778 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.278 -1.108 -0.645 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.079 -2.817 -0.189 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.064 -1.569 0.573 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.197 0.528 1.031 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.128 -0.006 2.350 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.895 -0.057 2.560 1.00 9.55 H new ATOM 699 N ILE A 44 2.310 -2.777 5.760 1.00 4.58 N ATOM 700 CA ILE A 44 1.831 -3.278 7.011 1.00 5.55 C ATOM 701 C ILE A 44 0.503 -2.628 7.198 1.00 5.46 C ATOM 702 O ILE A 44 0.331 -1.411 7.167 1.00 6.04 O ATOM 703 CB ILE A 44 2.744 -3.178 8.197 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.227 -3.440 7.883 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.174 -4.116 9.275 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.029 -3.601 9.174 1.00 13.90 C ATOM 0 H ILE A 44 2.325 -1.757 5.750 1.00 4.58 H new ATOM 0 HA ILE A 44 1.764 -4.365 6.958 1.00 5.55 H new ATOM 0 HB ILE A 44 2.762 -2.148 8.555 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.322 -4.339 7.275 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.632 -2.615 7.297 1.00 10.31 H new ATOM 0 HG21 ILE A 44 2.807 -4.078 10.162 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.164 -3.799 9.536 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.147 -5.136 8.892 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.076 -3.786 8.932 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.949 -2.690 9.768 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.635 -4.442 9.745 1.00 13.90 H new ATOM 718 N PHE A 45 -0.556 -3.411 7.470 1.00 6.75 N ATOM 719 CA PHE A 45 -1.876 -2.928 7.730 1.00 4.70 C ATOM 720 C PHE A 45 -2.117 -3.254 9.164 1.00 6.34 C ATOM 721 O PHE A 45 -2.244 -4.416 9.546 1.00 5.45 O ATOM 722 CB PHE A 45 -2.920 -3.720 6.925 1.00 5.51 C ATOM 723 CG PHE A 45 -4.369 -3.420 7.108 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.786 -2.110 7.091 1.00 6.86 C ATOM 725 CD2 PHE A 45 -5.290 -4.440 7.147 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.135 -1.869 7.207 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.640 -4.197 7.054 1.00 6.64 C ATOM 728 CZ PHE A 45 -7.055 -2.890 7.161 1.00 6.84 C ATOM 0 H PHE A 45 -0.488 -4.428 7.510 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.958 -1.871 7.477 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.689 -3.585 5.868 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.774 -4.776 7.151 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.080 -1.299 6.990 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.944 -5.458 7.253 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.480 -0.854 7.337 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -7.346 -5.000 6.903 1.00 6.64 H new ATOM 0 HZ PHE A 45 -8.110 -2.664 7.209 1.00 6.84 H new ATOM 738 N ALA A 46 -2.127 -2.245 10.053 1.00 6.53 N ATOM 739 CA ALA A 46 -2.121 -2.434 11.471 1.00 7.15 C ATOM 740 C ALA A 46 -0.938 -3.166 12.004 1.00 9.00 C ATOM 741 O ALA A 46 0.058 -2.592 12.441 1.00 11.15 O ATOM 742 CB ALA A 46 -3.522 -2.813 11.980 1.00 8.99 C ATOM 0 H ALA A 46 -2.140 -1.264 9.776 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.929 -1.474 11.950 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -3.491 -2.951 13.061 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -4.225 -2.017 11.736 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -3.843 -3.740 11.505 1.00 8.99 H new ATOM 748 N GLY A 47 -1.021 -4.503 12.124 1.00 9.35 N ATOM 749 CA GLY A 47 -0.028 -5.481 12.446 1.00 11.68 C ATOM 750 C GLY A 47 0.161 -6.647 11.538 1.00 11.14 C ATOM 751 O GLY A 47 0.901 -7.557 11.910 1.00 13.93 O ATOM 0 H GLY A 47 -1.920 -4.959 11.971 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.929 -4.965 12.522 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -0.260 -5.871 13.437 1.00 11.68 H new ATOM 755 N LYS A 48 -0.529 -6.686 10.384 1.00 10.47 N ATOM 756 CA LYS A 48 -0.274 -7.753 9.467 1.00 8.82 C ATOM 757 C LYS A 48 0.334 -7.176 8.234 1.00 7.68 C ATOM 758 O LYS A 48 0.177 -6.004 7.897 1.00 6.47 O ATOM 759 CB LYS A 48 -1.580 -8.508 9.165 1.00 9.74 C ATOM 760 CG LYS A 48 -1.968 -9.451 10.305 1.00 14.14 C ATOM 761 CD LYS A 48 -3.136 -10.357 9.911 1.00 16.32 C ATOM 762 CE LYS A 48 -4.487 -9.641 9.878 1.00 20.04 C ATOM 763 NZ LYS A 48 -5.542 -10.648 9.630 1.00 23.92 N ATOM 0 H LYS A 48 -1.235 -6.010 10.093 1.00 10.47 H new ATOM 0 HA LYS A 48 0.422 -8.474 9.896 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -2.384 -7.791 8.997 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.465 -9.079 8.244 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.109 -10.063 10.581 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -2.240 -8.867 11.185 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.937 -10.784 8.928 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -3.193 -11.188 10.614 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -4.667 -9.127 10.822 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -4.495 -8.882 9.096 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -6.470 -10.179 9.604 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -5.366 -11.118 8.719 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -5.533 -11.355 10.392 1.00 23.92 H new ATOM 777 N GLN A 49 1.058 -8.049 7.511 1.00 8.89 N ATOM 778 CA GLN A 49 1.660 -7.747 6.250 1.00 7.18 C ATOM 779 C GLN A 49 0.701 -7.911 5.122 1.00 8.23 C ATOM 780 O GLN A 49 -0.151 -8.793 5.217 1.00 9.70 O ATOM 781 CB GLN A 49 2.990 -8.498 6.066 1.00 11.67 C ATOM 782 CG GLN A 49 4.148 -7.930 6.888 1.00 15.82 C ATOM 783 CD GLN A 49 5.337 -8.859 6.691 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.392 -8.318 6.366 1.00 23.23 O ATOM 785 NE2 GLN A 49 5.221 -10.178 7.001 1.00 20.67 N ATOM 0 H GLN A 49 1.231 -9.006 7.819 1.00 8.89 H new ATOM 0 HA GLN A 49 1.922 -6.689 6.243 1.00 7.18 H new ATOM 0 HB2 GLN A 49 2.845 -9.544 6.337 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.263 -8.477 5.011 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.392 -6.919 6.562 1.00 15.82 H new ATOM 0 HG3 GLN A 49 3.878 -7.869 7.942 1.00 15.82 H new ATOM 0 HE21 GLN A 49 4.313 -10.562 7.263 1.00 20.67 H new ATOM 0 HE22 GLN A 49 6.042 -10.783 6.972 1.00 20.67 H new ATOM 794 N LEU A 50 0.820 -7.195 3.990 1.00 6.51 N ATOM 795 CA LEU A 50 -0.078 -7.361 2.890 1.00 7.41 C ATOM 796 C LEU A 50 0.590 -8.004 1.723 1.00 8.27 C ATOM 797 O LEU A 50 1.634 -7.541 1.265 1.00 8.34 O ATOM 798 CB LEU A 50 -0.741 -6.096 2.320 1.00 7.13 C ATOM 799 CG LEU A 50 -1.558 -5.382 3.410 1.00 7.53 C ATOM 800 CD1 LEU A 50 -2.445 -4.266 2.832 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.425 -6.308 4.280 1.00 8.14 C ATOM 0 H LEU A 50 1.545 -6.495 3.836 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.854 -7.971 3.352 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.022 -5.423 1.928 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.390 -6.362 1.486 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.795 -4.955 4.060 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -3.003 -3.790 3.638 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.819 -3.524 2.337 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -3.142 -4.692 2.111 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.963 -5.714 5.019 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -3.140 -6.836 3.649 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.788 -7.031 4.790 1.00 8.14 H new ATOM 813 N GLU A 51 -0.012 -9.079 1.185 1.00 9.43 N ATOM 814 CA GLU A 51 0.559 -9.738 0.051 1.00 11.90 C ATOM 815 C GLU A 51 -0.065 -9.108 -1.147 1.00 11.49 C ATOM 816 O GLU A 51 -1.055 -8.379 -1.170 1.00 9.88 O ATOM 817 CB GLU A 51 0.348 -11.255 0.200 1.00 16.56 C ATOM 818 CG GLU A 51 0.977 -11.736 1.509 1.00 26.06 C ATOM 819 CD GLU A 51 0.983 -13.258 1.530 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.913 -13.883 0.954 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.034 -13.898 2.057 1.00 33.44 O ATOM 0 H GLU A 51 -0.881 -9.488 1.528 1.00 9.43 H new ATOM 0 HA GLU A 51 1.638 -9.622 -0.046 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.717 -11.487 0.190 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.796 -11.779 -0.644 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.994 -11.355 1.600 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.415 -11.351 2.360 1.00 26.06 H new ATOM 828 N ASP A 52 0.662 -9.407 -2.239 1.00 12.71 N ATOM 829 CA ASP A 52 0.370 -8.780 -3.491 1.00 16.56 C ATOM 830 C ASP A 52 -0.955 -9.024 -4.128 1.00 15.83 C ATOM 831 O ASP A 52 -1.692 -8.060 -4.328 1.00 17.21 O ATOM 832 CB ASP A 52 1.346 -9.388 -4.512 1.00 21.05 C ATOM 833 CG ASP A 52 2.757 -9.205 -3.970 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.164 -8.190 -3.344 1.00 25.82 O ATOM 835 OD2 ASP A 52 3.518 -10.200 -4.103 1.00 28.37 O ATOM 0 H ASP A 52 1.437 -10.070 -2.257 1.00 12.71 H new ATOM 0 HA ASP A 52 0.424 -7.716 -3.261 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.129 -10.445 -4.665 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.242 -8.898 -5.480 1.00 21.05 H new ATOM 840 N GLY A 53 -1.249 -10.295 -4.453 1.00 15.00 N ATOM 841 CA GLY A 53 -2.393 -10.687 -5.216 1.00 11.77 C ATOM 842 C GLY A 53 -3.722 -10.781 -4.549 1.00 11.10 C ATOM 843 O GLY A 53 -4.696 -11.372 -5.011 1.00 11.25 O ATOM 0 H GLY A 53 -0.665 -11.083 -4.172 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.491 -9.983 -6.042 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.176 -11.662 -5.652 1.00 11.77 H new ATOM 847 N ARG A 54 -3.799 -10.175 -3.350 1.00 8.53 N ATOM 848 CA ARG A 54 -5.016 -10.034 -2.612 1.00 9.05 C ATOM 849 C ARG A 54 -5.552 -8.653 -2.767 1.00 8.96 C ATOM 850 O ARG A 54 -4.822 -7.815 -3.294 1.00 11.60 O ATOM 851 CB ARG A 54 -4.741 -10.400 -1.143 1.00 7.97 C ATOM 852 CG ARG A 54 -4.113 -11.757 -0.818 1.00 9.62 C ATOM 853 CD ARG A 54 -4.995 -12.907 -1.307 1.00 12.20 C ATOM 854 NE ARG A 54 -4.246 -14.166 -1.033 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.831 -15.396 -1.115 1.00 22.08 C ATOM 856 NH1 ARG A 54 -6.103 -15.566 -1.580 1.00 23.38 N ATOM 857 NH2 ARG A 54 -4.112 -16.515 -0.808 1.00 25.50 N ATOM 0 H ARG A 54 -2.989 -9.771 -2.880 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.781 -10.709 -2.994 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -4.091 -9.630 -0.729 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.688 -10.340 -0.607 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.130 -11.826 -1.283 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.963 -11.843 0.258 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -5.954 -12.907 -0.789 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -5.207 -12.807 -2.371 1.00 12.20 H new ATOM 0 HE ARG A 54 -3.261 -14.106 -0.775 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -6.648 -14.758 -1.880 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -6.508 -16.501 -1.627 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -3.138 -16.431 -0.517 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -4.549 -17.435 -0.869 1.00 25.50 H new ATOM 871 N THR A 55 -6.867 -8.454 -2.567 1.00 9.05 N ATOM 872 CA THR A 55 -7.512 -7.195 -2.774 1.00 9.03 C ATOM 873 C THR A 55 -7.549 -6.492 -1.461 1.00 8.15 C ATOM 874 O THR A 55 -7.351 -7.126 -0.426 1.00 5.91 O ATOM 875 CB THR A 55 -8.920 -7.266 -3.286 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.803 -8.094 -2.544 1.00 11.95 O ATOM 877 CG2 THR A 55 -9.013 -7.676 -4.765 1.00 11.71 C ATOM 0 H THR A 55 -7.500 -9.190 -2.252 1.00 9.05 H new ATOM 0 HA THR A 55 -6.936 -6.682 -3.544 1.00 9.03 H new ATOM 0 HB THR A 55 -9.249 -6.235 -3.160 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.541 -9.032 -2.653 1.00 11.95 H new ATOM 0 HG21 THR A 55 -10.059 -7.707 -5.069 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.479 -6.950 -5.378 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.567 -8.662 -4.898 1.00 11.71 H new ATOM 885 N LEU A 56 -7.878 -5.188 -1.483 1.00 6.91 N ATOM 886 CA LEU A 56 -8.256 -4.370 -0.373 1.00 8.29 C ATOM 887 C LEU A 56 -9.580 -4.830 0.132 1.00 8.05 C ATOM 888 O LEU A 56 -9.756 -4.701 1.342 1.00 10.17 O ATOM 889 CB LEU A 56 -8.477 -2.907 -0.792 1.00 6.60 C ATOM 890 CG LEU A 56 -7.175 -2.106 -0.964 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.753 -2.130 -2.443 1.00 8.64 C ATOM 892 CD2 LEU A 56 -7.160 -0.656 -0.452 1.00 9.85 C ATOM 0 H LEU A 56 -7.879 -4.661 -2.357 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.457 -4.443 0.365 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.031 -2.888 -1.731 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -9.099 -2.415 -0.044 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.467 -2.618 -0.313 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.830 -1.563 -2.567 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -6.591 -3.161 -2.758 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.538 -1.683 -3.053 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -6.181 -0.214 -0.639 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.924 -0.078 -0.973 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -7.364 -0.646 0.619 1.00 9.85 H new ATOM 904 N SER A 57 -10.454 -5.460 -0.674 1.00 8.92 N ATOM 905 CA SER A 57 -11.715 -6.034 -0.317 1.00 9.00 C ATOM 906 C SER A 57 -11.509 -7.273 0.485 1.00 9.44 C ATOM 907 O SER A 57 -12.132 -7.412 1.536 1.00 10.91 O ATOM 908 CB SER A 57 -12.642 -6.245 -1.526 1.00 10.32 C ATOM 909 OG SER A 57 -14.012 -6.395 -1.184 1.00 13.59 O ATOM 0 H SER A 57 -10.257 -5.577 -1.668 1.00 8.92 H new ATOM 0 HA SER A 57 -12.242 -5.317 0.312 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.538 -5.397 -2.203 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.315 -7.130 -2.071 1.00 10.32 H new ATOM 0 HG SER A 57 -14.541 -6.523 -1.999 1.00 13.59 H new ATOM 915 N ASP A 58 -10.600 -8.226 0.209 1.00 9.11 N ATOM 916 CA ASP A 58 -10.287 -9.388 0.982 1.00 7.91 C ATOM 917 C ASP A 58 -9.811 -9.159 2.375 1.00 9.12 C ATOM 918 O ASP A 58 -10.335 -9.720 3.335 1.00 8.61 O ATOM 919 CB ASP A 58 -9.113 -10.194 0.401 1.00 8.41 C ATOM 920 CG ASP A 58 -9.481 -10.697 -0.987 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.382 -11.559 -1.161 1.00 11.70 O ATOM 922 OD2 ASP A 58 -8.775 -10.322 -1.962 1.00 10.05 O ATOM 0 H ASP A 58 -10.032 -8.176 -0.636 1.00 9.11 H new ATOM 0 HA ASP A 58 -11.257 -9.884 0.963 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.220 -9.571 0.349 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.877 -11.035 1.053 1.00 8.41 H new ATOM 927 N TYR A 59 -8.891 -8.207 2.616 1.00 7.97 N ATOM 928 CA TYR A 59 -8.497 -7.737 3.908 1.00 8.45 C ATOM 929 C TYR A 59 -9.367 -6.748 4.604 1.00 10.98 C ATOM 930 O TYR A 59 -9.106 -6.402 5.755 1.00 12.95 O ATOM 931 CB TYR A 59 -7.105 -7.093 3.793 1.00 7.94 C ATOM 932 CG TYR A 59 -6.041 -8.000 3.277 1.00 6.91 C ATOM 933 CD1 TYR A 59 -5.736 -9.171 3.930 1.00 6.98 C ATOM 934 CD2 TYR A 59 -5.321 -7.621 2.169 1.00 4.59 C ATOM 935 CE1 TYR A 59 -4.613 -9.893 3.602 1.00 6.52 C ATOM 936 CE2 TYR A 59 -4.199 -8.323 1.795 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.871 -9.431 2.540 1.00 6.76 C ATOM 938 OH TYR A 59 -2.599 -10.001 2.325 1.00 7.63 O ATOM 0 H TYR A 59 -8.392 -7.737 1.861 1.00 7.97 H new ATOM 0 HA TYR A 59 -8.551 -8.638 4.519 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -7.174 -6.225 3.137 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.807 -6.727 4.775 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -6.389 -9.529 4.713 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.638 -6.767 1.589 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -4.328 -10.778 4.151 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.600 -8.016 0.950 1.00 5.39 H new ATOM 0 HH TYR A 59 -2.572 -10.416 1.437 1.00 7.63 H new ATOM 948 N ASN A 60 -10.374 -6.115 3.975 1.00 12.38 N ATOM 949 CA ASN A 60 -11.309 -5.245 4.619 1.00 13.94 C ATOM 950 C ASN A 60 -10.781 -3.894 4.959 1.00 14.16 C ATOM 951 O ASN A 60 -11.116 -3.235 5.941 1.00 14.26 O ATOM 952 CB ASN A 60 -12.112 -5.911 5.749 1.00 19.23 C ATOM 953 CG ASN A 60 -13.012 -7.042 5.272 1.00 22.65 C ATOM 954 OD1 ASN A 60 -12.644 -8.202 5.448 1.00 25.45 O ATOM 955 ND2 ASN A 60 -14.221 -6.745 4.725 1.00 24.09 N ATOM 0 H ASN A 60 -10.544 -6.214 2.974 1.00 12.38 H new ATOM 0 HA ASN A 60 -12.046 -5.041 3.842 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.419 -6.299 6.496 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.723 -5.156 6.243 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -14.853 -7.496 4.447 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -14.496 -5.772 4.593 1.00 24.09 H new ATOM 962 N ILE A 61 -9.901 -3.402 4.068 1.00 11.08 N ATOM 963 CA ILE A 61 -9.499 -2.030 4.097 1.00 11.78 C ATOM 964 C ILE A 61 -10.592 -1.149 3.599 1.00 13.74 C ATOM 965 O ILE A 61 -10.959 -1.189 2.426 1.00 14.60 O ATOM 966 CB ILE A 61 -8.276 -1.887 3.241 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.288 -3.026 3.544 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.731 -0.471 3.493 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.913 -2.807 2.914 1.00 11.42 C ATOM 0 H ILE A 61 -9.468 -3.954 3.328 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.278 -1.728 5.121 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.483 -1.984 2.175 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.175 -3.124 4.624 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.703 -3.966 3.180 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.836 -0.313 2.891 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.487 0.264 3.218 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.483 -0.359 4.549 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.261 -3.644 3.164 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.016 -2.738 1.831 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.480 -1.883 3.297 1.00 11.42 H new ATOM 981 N GLN A 62 -11.103 -0.222 4.430 1.00 13.97 N ATOM 982 CA GLN A 62 -12.067 0.764 4.052 1.00 15.52 C ATOM 983 C GLN A 62 -11.461 2.039 3.575 1.00 13.94 C ATOM 984 O GLN A 62 -10.266 2.313 3.669 1.00 12.15 O ATOM 985 CB GLN A 62 -12.975 1.203 5.213 1.00 19.53 C ATOM 986 CG GLN A 62 -13.621 0.012 5.925 1.00 26.38 C ATOM 987 CD GLN A 62 -14.793 0.427 6.802 1.00 30.61 C ATOM 988 OE1 GLN A 62 -15.419 1.438 6.489 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.140 -0.332 7.876 1.00 32.71 N ATOM 0 H GLN A 62 -10.831 -0.158 5.411 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.620 0.255 3.263 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.391 1.780 5.930 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.755 1.863 4.833 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.963 -0.709 5.183 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.873 -0.491 6.537 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -14.599 -1.165 8.108 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.941 -0.068 8.449 1.00 32.71 H new ATOM 998 N LYS A 63 -12.232 2.978 2.998 1.00 11.73 N ATOM 999 CA LYS A 63 -11.807 4.199 2.387 1.00 11.97 C ATOM 1000 C LYS A 63 -11.143 5.031 3.430 1.00 10.41 C ATOM 1001 O LYS A 63 -11.531 5.020 4.598 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.041 4.954 1.867 1.00 13.73 C ATOM 1003 CG LYS A 63 -12.956 6.361 1.273 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.402 6.801 1.036 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.086 6.300 -0.238 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.484 6.778 -0.152 1.00 25.97 N ATOM 0 H LYS A 63 -13.245 2.871 2.957 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.123 3.995 1.563 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.495 4.321 1.105 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.745 5.008 2.697 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -12.446 7.043 1.954 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -12.390 6.359 0.341 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.998 6.477 1.889 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -14.426 7.891 1.026 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -14.592 6.690 -1.128 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.047 5.213 -0.303 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.009 6.469 -0.995 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.934 6.385 0.699 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.493 7.817 -0.100 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.135 5.796 2.975 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.436 6.757 3.770 1.00 10.94 C ATOM 1022 C GLU A 64 -8.715 6.150 4.924 1.00 9.74 C ATOM 1023 O GLU A 64 -8.714 6.625 6.059 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.232 8.018 4.145 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.453 8.978 2.974 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.331 10.150 3.387 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -11.577 10.397 4.597 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -11.844 10.840 2.465 1.00 32.61 O ATOM 0 H GLU A 64 -9.793 5.743 2.015 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.671 7.137 3.093 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.201 7.719 4.546 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.706 8.545 4.941 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.492 9.348 2.616 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -10.918 8.445 2.145 1.00 24.16 H new ATOM 1035 N SER A 65 -7.976 5.055 4.668 1.00 6.85 N ATOM 1036 CA SER A 65 -7.374 4.153 5.600 1.00 6.90 C ATOM 1037 C SER A 65 -5.913 4.399 5.447 1.00 4.72 C ATOM 1038 O SER A 65 -5.470 4.402 4.299 1.00 3.91 O ATOM 1039 CB SER A 65 -7.640 2.670 5.288 1.00 7.28 C ATOM 1040 OG SER A 65 -7.321 1.741 6.313 1.00 10.56 O ATOM 0 H SER A 65 -7.782 4.775 3.706 1.00 6.85 H new ATOM 0 HA SER A 65 -7.777 4.328 6.597 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.696 2.557 5.041 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.074 2.402 4.396 1.00 7.28 H new ATOM 0 HG SER A 65 -7.920 0.968 6.252 1.00 10.56 H new ATOM 1046 N THR A 66 -5.169 4.578 6.553 1.00 4.48 N ATOM 1047 CA THR A 66 -3.752 4.768 6.587 1.00 3.80 C ATOM 1048 C THR A 66 -3.097 3.434 6.690 1.00 4.60 C ATOM 1049 O THR A 66 -2.956 2.788 7.727 1.00 5.33 O ATOM 1050 CB THR A 66 -3.303 5.638 7.723 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.919 6.914 7.815 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.780 5.803 7.587 1.00 3.40 C ATOM 0 H THR A 66 -5.585 4.591 7.484 1.00 4.48 H new ATOM 0 HA THR A 66 -3.464 5.280 5.669 1.00 3.80 H new ATOM 0 HB THR A 66 -3.606 5.137 8.642 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.557 7.397 8.587 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.408 6.432 8.396 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.302 4.825 7.639 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.549 6.270 6.630 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.444 3.061 5.575 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.604 1.915 5.418 1.00 3.85 C ATOM 1062 C LEU A 67 -0.213 2.313 5.774 1.00 3.80 C ATOM 1063 O LEU A 67 0.131 3.482 5.606 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.565 1.425 3.961 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.962 1.112 3.399 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.983 0.832 1.887 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.907 0.210 4.211 1.00 8.12 C ATOM 0 H LEU A 67 -2.510 3.606 4.715 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.997 1.121 6.052 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.090 2.185 3.340 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.945 0.530 3.900 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.442 2.079 3.553 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.004 0.620 1.570 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.610 1.704 1.350 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.350 -0.027 1.667 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.848 0.091 3.673 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -3.445 -0.767 4.353 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -4.099 0.665 5.182 1.00 8.12 H new ATOM 1079 N HIS A 68 0.617 1.384 6.282 1.00 2.94 N ATOM 1080 CA HIS A 68 1.946 1.750 6.666 1.00 4.17 C ATOM 1081 C HIS A 68 3.019 1.278 5.746 1.00 5.32 C ATOM 1082 O HIS A 68 3.308 0.083 5.704 1.00 7.70 O ATOM 1083 CB HIS A 68 2.332 1.361 8.103 1.00 5.57 C ATOM 1084 CG HIS A 68 1.405 1.964 9.115 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.349 3.286 9.509 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.440 1.332 9.835 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.406 3.456 10.475 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.063 2.250 10.735 1.00 16.30 N ATOM 0 H HIS A 68 0.377 0.403 6.425 1.00 2.94 H new ATOM 0 HA HIS A 68 1.890 2.837 6.602 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.319 0.275 8.201 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.352 1.687 8.306 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.126 0.305 9.724 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.104 4.386 10.934 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.707 2.028 11.494 1.00 16.30 H new ATOM 1096 N LEU A 69 3.715 2.197 5.053 1.00 5.29 N ATOM 1097 CA LEU A 69 4.793 1.790 4.206 1.00 3.97 C ATOM 1098 C LEU A 69 6.122 1.741 4.878 1.00 5.07 C ATOM 1099 O LEU A 69 6.606 2.669 5.525 1.00 4.34 O ATOM 1100 CB LEU A 69 4.820 2.763 3.015 1.00 6.08 C ATOM 1101 CG LEU A 69 5.872 2.558 1.912 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.629 1.176 1.284 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.714 3.809 1.032 1.00 6.87 C ATOM 0 H LEU A 69 3.537 3.201 5.077 1.00 5.29 H new ATOM 0 HA LEU A 69 4.612 0.762 3.893 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.838 2.734 2.543 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.952 3.769 3.414 1.00 6.08 H new ATOM 0 HG LEU A 69 6.921 2.505 2.205 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.361 1.001 0.496 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.728 0.406 2.049 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.625 1.140 0.861 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.424 3.765 0.206 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.699 3.850 0.636 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.906 4.700 1.629 1.00 6.87 H new ATOM 1115 N VAL A 70 6.673 0.515 4.847 1.00 4.29 N ATOM 1116 CA VAL A 70 8.010 0.295 5.306 1.00 6.26 C ATOM 1117 C VAL A 70 8.838 0.124 4.079 1.00 9.22 C ATOM 1118 O VAL A 70 8.314 -0.298 3.049 1.00 9.36 O ATOM 1119 CB VAL A 70 7.933 -0.847 6.275 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.316 -1.268 6.798 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.002 -0.693 7.489 1.00 8.54 C ATOM 0 H VAL A 70 6.197 -0.320 4.506 1.00 4.29 H new ATOM 0 HA VAL A 70 8.490 1.101 5.862 1.00 6.26 H new ATOM 0 HB VAL A 70 7.483 -1.613 5.644 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.204 -2.098 7.496 1.00 9.76 H new ATOM 0 HG12 VAL A 70 9.942 -1.579 5.962 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.784 -0.426 7.308 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.049 -1.594 8.100 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.317 0.165 8.083 1.00 8.54 H new ATOM 0 HG23 VAL A 70 5.979 -0.540 7.146 1.00 8.54 H new ATOM 1131 N LEU A 71 10.102 0.585 4.089 1.00 12.71 N ATOM 1132 CA LEU A 71 10.902 0.512 2.906 1.00 16.06 C ATOM 1133 C LEU A 71 12.186 -0.199 3.163 1.00 18.09 C ATOM 1134 O LEU A 71 12.849 -0.049 4.188 1.00 19.26 O ATOM 1135 CB LEU A 71 11.098 1.950 2.396 1.00 17.10 C ATOM 1136 CG LEU A 71 9.794 2.634 1.949 1.00 19.37 C ATOM 1137 CD1 LEU A 71 9.949 4.163 1.895 1.00 19.57 C ATOM 1138 CD2 LEU A 71 9.255 2.078 0.621 1.00 17.51 C ATOM 0 H LEU A 71 10.563 1.000 4.899 1.00 12.71 H new ATOM 0 HA LEU A 71 10.406 -0.076 2.134 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.558 2.546 3.185 1.00 17.10 H new ATOM 0 HB3 LEU A 71 11.796 1.937 1.559 1.00 17.10 H new ATOM 0 HG LEU A 71 9.048 2.399 2.708 1.00 19.37 H new ATOM 0 HD11 LEU A 71 9.009 4.613 1.576 1.00 19.57 H new ATOM 0 HD12 LEU A 71 10.213 4.537 2.884 1.00 19.57 H new ATOM 0 HD13 LEU A 71 10.735 4.424 1.187 1.00 19.57 H new ATOM 0 HD21 LEU A 71 8.334 2.598 0.356 1.00 17.51 H new ATOM 0 HD22 LEU A 71 9.996 2.229 -0.164 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.052 1.012 0.728 1.00 17.51 H new