USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 470 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 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -166:sc= -0.49 (180deg=-0.776) USER MOD Single : A 16 MET CE :methyl 157:sc= 0 (180deg=-0.0579) USER MOD Single : A 20 LYS NZ :NH3+ 150:sc= -0.0744 (180deg=-0.688) USER MOD Single : A 22 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.012) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.11 K(o=-0.11,f=-1.9!) USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= -0.0298 (180deg=-0.366) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= -0.0454 (180deg=-0.42) USER MOD Single : A 54 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 -12.185 -9.882 -11.455 1.00 0.00 N ATOM 2 CA ILE A 5 -11.700 -9.032 -12.597 1.00 0.00 C ATOM 3 C ILE A 5 -10.547 -8.127 -12.095 1.00 0.00 C ATOM 4 O ILE A 5 -10.205 -7.127 -12.715 1.00 0.00 O ATOM 5 CB ILE A 5 -12.931 -8.115 -13.148 1.00 0.00 C ATOM 6 CG1 ILE A 5 -14.202 -9.061 -13.578 1.00 0.00 C ATOM 7 CG2 ILE A 5 -12.456 -7.158 -14.412 1.00 0.00 C ATOM 8 CD1 ILE A 5 -15.524 -8.211 -13.750 1.00 0.00 C ATOM 0 HA ILE A 5 -11.338 -9.664 -13.408 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.246 -7.456 -12.339 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.975 -9.575 -14.512 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.358 -9.829 -12.821 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -13.301 -6.561 -14.754 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -11.653 -6.497 -14.086 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -12.101 -7.785 -15.230 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -16.345 -8.869 -14.035 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -15.764 -7.717 -12.808 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -15.375 -7.460 -14.526 1.00 0.00 H new ATOM 20 N MET A 6 -9.952 -8.520 -10.927 1.00 0.00 N ATOM 21 CA MET A 6 -8.840 -7.766 -10.285 1.00 0.00 C ATOM 22 C MET A 6 -9.217 -6.266 -10.167 1.00 0.00 C ATOM 23 O MET A 6 -8.353 -5.402 -10.065 1.00 0.00 O ATOM 24 CB MET A 6 -7.540 -7.942 -11.179 1.00 0.00 C ATOM 25 CG MET A 6 -7.079 -9.459 -11.195 1.00 0.00 C ATOM 26 SD MET A 6 -5.617 -9.686 -12.282 1.00 0.00 S ATOM 27 CE MET A 6 -6.424 -9.787 -13.930 1.00 0.00 C ATOM 0 H MET A 6 -10.229 -9.357 -10.414 1.00 0.00 H new ATOM 0 HA MET A 6 -8.653 -8.148 -9.281 1.00 0.00 H new ATOM 0 HB2 MET A 6 -7.743 -7.607 -12.196 1.00 0.00 H new ATOM 0 HB3 MET A 6 -6.737 -7.316 -10.791 1.00 0.00 H new ATOM 0 HG2 MET A 6 -6.838 -9.781 -10.182 1.00 0.00 H new ATOM 0 HG3 MET A 6 -7.898 -10.089 -11.543 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.664 -9.926 -14.699 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.115 -10.630 -13.946 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.973 -8.865 -14.124 1.00 0.00 H new ATOM 37 N GLN A 7 -10.548 -5.974 -10.229 1.00 0.00 N ATOM 38 CA GLN A 7 -11.043 -4.585 -10.190 1.00 0.00 C ATOM 39 C GLN A 7 -10.660 -3.922 -8.859 1.00 0.00 C ATOM 40 O GLN A 7 -10.135 -2.801 -8.837 1.00 0.00 O ATOM 41 CB GLN A 7 -12.615 -4.581 -10.375 1.00 0.00 C ATOM 42 CG GLN A 7 -13.192 -3.092 -10.470 1.00 0.00 C ATOM 43 CD GLN A 7 -14.718 -3.064 -10.640 1.00 0.00 C ATOM 44 OE1 GLN A 7 -15.340 -4.059 -11.019 1.00 0.00 O ATOM 45 NE2 GLN A 7 -15.346 -1.955 -10.381 1.00 0.00 N ATOM 0 H GLN A 7 -11.281 -6.679 -10.305 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.586 -4.017 -11.000 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.877 -5.132 -11.278 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.082 -5.100 -9.538 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.920 -2.542 -9.569 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.726 -2.578 -11.311 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.826 -1.135 -10.068 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.359 -1.905 -10.491 1.00 0.00 H new ATOM 54 N ALA A 8 -10.936 -4.654 -7.746 1.00 0.00 N ATOM 55 CA ALA A 8 -10.638 -4.170 -6.382 1.00 0.00 C ATOM 56 C ALA A 8 -9.142 -3.978 -6.215 1.00 0.00 C ATOM 57 O ALA A 8 -8.681 -2.963 -5.665 1.00 0.00 O ATOM 58 CB ALA A 8 -11.174 -5.214 -5.323 1.00 0.00 C ATOM 0 H ALA A 8 -11.364 -5.580 -7.773 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.133 -3.212 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.954 -4.857 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.252 -5.330 -5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.686 -6.176 -5.481 1.00 0.00 H new ATOM 64 N LYS A 9 -8.383 -4.976 -6.686 1.00 0.00 N ATOM 65 CA LYS A 9 -6.910 -4.948 -6.582 1.00 0.00 C ATOM 66 C LYS A 9 -6.320 -3.809 -7.431 1.00 0.00 C ATOM 67 O LYS A 9 -5.390 -3.116 -7.005 1.00 0.00 O ATOM 68 CB LYS A 9 -6.307 -6.330 -7.038 1.00 0.00 C ATOM 69 CG LYS A 9 -4.719 -6.381 -6.803 1.00 0.00 C ATOM 70 CD LYS A 9 -4.080 -7.785 -7.204 1.00 0.00 C ATOM 71 CE LYS A 9 -4.040 -8.010 -8.764 1.00 0.00 C ATOM 72 NZ LYS A 9 -3.295 -9.249 -9.027 1.00 0.00 N ATOM 0 H LYS A 9 -8.757 -5.809 -7.140 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.646 -4.770 -5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.785 -7.138 -6.484 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.526 -6.494 -8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.245 -5.591 -7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.505 -6.176 -5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.067 -7.846 -6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.654 -8.587 -6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.051 -8.082 -9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.560 -7.165 -9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.255 -9.419 -10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.329 -9.159 -8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.773 -10.047 -8.562 1.00 0.00 H new ATOM 86 N GLU A 10 -6.856 -3.646 -8.651 1.00 0.00 N ATOM 87 CA GLU A 10 -6.374 -2.605 -9.583 1.00 0.00 C ATOM 88 C GLU A 10 -6.655 -1.231 -8.979 1.00 0.00 C ATOM 89 O GLU A 10 -5.836 -0.319 -9.079 1.00 0.00 O ATOM 90 CB GLU A 10 -7.114 -2.752 -10.977 1.00 0.00 C ATOM 91 CG GLU A 10 -6.606 -1.659 -12.045 1.00 0.00 C ATOM 92 CD GLU A 10 -7.301 -1.801 -13.434 1.00 0.00 C ATOM 93 OE1 GLU A 10 -7.917 -2.825 -13.678 1.00 0.00 O ATOM 94 OE2 GLU A 10 -7.184 -0.870 -14.234 1.00 0.00 O ATOM 0 H GLU A 10 -7.619 -4.216 -9.017 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.302 -2.718 -9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.945 -3.753 -11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.189 -2.644 -10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.792 -0.660 -11.651 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.528 -1.756 -12.172 1.00 0.00 H new ATOM 101 N ASP A 11 -7.850 -1.117 -8.338 1.00 0.00 N ATOM 102 CA ASP A 11 -8.286 0.155 -7.706 1.00 0.00 C ATOM 103 C ASP A 11 -7.312 0.537 -6.588 1.00 0.00 C ATOM 104 O ASP A 11 -6.962 1.716 -6.419 1.00 0.00 O ATOM 105 CB ASP A 11 -9.752 0.043 -7.110 1.00 0.00 C ATOM 106 CG ASP A 11 -10.314 1.430 -6.656 1.00 0.00 C ATOM 107 OD1 ASP A 11 -9.578 2.402 -6.715 1.00 0.00 O ATOM 108 OD2 ASP A 11 -11.482 1.483 -6.277 1.00 0.00 O ATOM 0 H ASP A 11 -8.520 -1.881 -8.247 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.292 0.924 -8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.415 -0.388 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.746 -0.640 -6.261 1.00 0.00 H new ATOM 113 N PHE A 12 -6.874 -0.492 -5.826 1.00 0.00 N ATOM 114 CA PHE A 12 -5.934 -0.293 -4.721 1.00 0.00 C ATOM 115 C PHE A 12 -4.582 0.275 -5.250 1.00 0.00 C ATOM 116 O PHE A 12 -4.081 1.274 -4.740 1.00 0.00 O ATOM 117 CB PHE A 12 -5.691 -1.663 -3.980 1.00 0.00 C ATOM 118 CG PHE A 12 -4.814 -1.401 -2.696 1.00 0.00 C ATOM 119 CD1 PHE A 12 -5.442 -0.903 -1.515 1.00 0.00 C ATOM 120 CD2 PHE A 12 -3.394 -1.587 -2.706 1.00 0.00 C ATOM 121 CE1 PHE A 12 -4.676 -0.615 -0.372 1.00 0.00 C ATOM 122 CE2 PHE A 12 -2.641 -1.284 -1.545 1.00 0.00 C ATOM 123 CZ PHE A 12 -3.279 -0.799 -0.389 1.00 0.00 C ATOM 0 H PHE A 12 -7.161 -1.461 -5.963 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.360 0.426 -4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.643 -2.114 -3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.187 -2.366 -4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.511 -0.747 -1.499 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.900 -1.956 -3.593 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.160 -0.251 0.522 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.570 -1.426 -1.547 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.695 -0.567 0.490 1.00 0.00 H new ATOM 133 N LYS A 13 -4.020 -0.376 -6.291 1.00 0.00 N ATOM 134 CA LYS A 13 -2.735 0.049 -6.908 1.00 0.00 C ATOM 135 C LYS A 13 -2.845 1.408 -7.518 1.00 0.00 C ATOM 136 O LYS A 13 -1.933 2.255 -7.408 1.00 0.00 O ATOM 137 CB LYS A 13 -2.331 -0.992 -8.012 1.00 0.00 C ATOM 138 CG LYS A 13 -1.915 -2.366 -7.329 1.00 0.00 C ATOM 139 CD LYS A 13 -1.488 -3.441 -8.401 1.00 0.00 C ATOM 140 CE LYS A 13 -1.015 -4.778 -7.713 1.00 0.00 C ATOM 141 NZ LYS A 13 -0.650 -5.723 -8.772 1.00 0.00 N ATOM 0 H LYS A 13 -4.434 -1.201 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.974 0.092 -6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.164 -1.153 -8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.503 -0.604 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.091 -2.194 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.750 -2.749 -6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.327 -3.648 -9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.683 -3.042 -9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.164 -4.590 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.810 -5.190 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.333 -6.617 -8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.476 -5.902 -9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.119 -5.321 -9.346 1.00 0.00 H new ATOM 155 N LYS A 14 -3.973 1.603 -8.182 1.00 0.00 N ATOM 156 CA LYS A 14 -4.256 2.852 -8.860 1.00 0.00 C ATOM 157 C LYS A 14 -4.235 3.988 -7.848 1.00 0.00 C ATOM 158 O LYS A 14 -3.750 5.075 -8.128 1.00 0.00 O ATOM 159 CB LYS A 14 -5.657 2.796 -9.579 1.00 0.00 C ATOM 160 CG LYS A 14 -5.913 4.137 -10.420 1.00 0.00 C ATOM 161 CD LYS A 14 -7.283 4.097 -11.198 1.00 0.00 C ATOM 162 CE LYS A 14 -7.495 5.427 -12.029 1.00 0.00 C ATOM 163 NZ LYS A 14 -8.760 5.317 -12.741 1.00 0.00 N ATOM 0 H LYS A 14 -4.711 0.904 -8.264 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.493 3.021 -9.620 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.698 1.931 -10.241 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.447 2.668 -8.839 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.904 4.994 -9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.098 4.281 -11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.301 3.237 -11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.104 3.969 -10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.505 6.293 -11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.674 5.572 -12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.922 6.181 -13.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.729 4.496 -13.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.534 5.194 -12.057 1.00 0.00 H new ATOM 177 N MET A 15 -4.803 3.728 -6.670 1.00 0.00 N ATOM 178 CA MET A 15 -4.854 4.749 -5.619 1.00 0.00 C ATOM 179 C MET A 15 -3.427 5.031 -5.072 1.00 0.00 C ATOM 180 O MET A 15 -3.068 6.174 -4.834 1.00 0.00 O ATOM 181 CB MET A 15 -5.805 4.265 -4.455 1.00 0.00 C ATOM 182 CG MET A 15 -5.976 5.371 -3.311 1.00 0.00 C ATOM 183 SD MET A 15 -6.880 6.812 -3.998 1.00 0.00 S ATOM 184 CE MET A 15 -6.773 7.938 -2.589 1.00 0.00 C ATOM 0 H MET A 15 -5.228 2.835 -6.420 1.00 0.00 H new ATOM 0 HA MET A 15 -5.249 5.674 -6.038 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.783 4.018 -4.867 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.403 3.351 -4.017 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.521 4.954 -2.464 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.999 5.682 -2.940 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.473 8.762 -2.728 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.022 7.400 -1.674 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.759 8.332 -2.514 1.00 0.00 H new ATOM 194 N MET A 16 -2.655 3.941 -4.845 1.00 0.00 N ATOM 195 CA MET A 16 -1.275 4.014 -4.242 1.00 0.00 C ATOM 196 C MET A 16 -0.296 4.823 -5.108 1.00 0.00 C ATOM 197 O MET A 16 0.497 5.629 -4.585 1.00 0.00 O ATOM 198 CB MET A 16 -0.735 2.541 -4.088 1.00 0.00 C ATOM 199 CG MET A 16 -1.423 1.776 -2.883 1.00 0.00 C ATOM 200 SD MET A 16 -0.891 2.472 -1.269 1.00 0.00 S ATOM 201 CE MET A 16 0.567 1.416 -0.941 1.00 0.00 C ATOM 0 H MET A 16 -2.954 2.991 -5.067 1.00 0.00 H new ATOM 0 HA MET A 16 -1.346 4.521 -3.280 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.912 1.992 -5.013 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.344 2.565 -3.933 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.507 1.848 -2.974 1.00 0.00 H new ATOM 0 HG3 MET A 16 -1.169 0.717 -2.928 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.239 1.928 -0.253 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.242 0.474 -0.498 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.089 1.216 -1.877 1.00 0.00 H new ATOM 211 N GLU A 17 -0.342 4.602 -6.420 1.00 0.00 N ATOM 212 CA GLU A 17 0.558 5.307 -7.362 1.00 0.00 C ATOM 213 C GLU A 17 0.166 6.810 -7.433 1.00 0.00 C ATOM 214 O GLU A 17 1.022 7.703 -7.525 1.00 0.00 O ATOM 215 CB GLU A 17 0.500 4.583 -8.791 1.00 0.00 C ATOM 216 CG GLU A 17 -0.847 4.893 -9.586 1.00 0.00 C ATOM 217 CD GLU A 17 -1.001 4.053 -10.892 1.00 0.00 C ATOM 218 OE1 GLU A 17 -0.065 3.376 -11.269 1.00 0.00 O ATOM 219 OE2 GLU A 17 -2.075 4.126 -11.496 1.00 0.00 O ATOM 0 H GLU A 17 -0.985 3.946 -6.864 1.00 0.00 H new ATOM 0 HA GLU A 17 1.590 5.262 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.352 4.903 -9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.595 3.506 -8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.698 4.697 -8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.876 5.953 -9.839 1.00 0.00 H new ATOM 226 N GLU A 18 -1.187 7.050 -7.392 1.00 0.00 N ATOM 227 CA GLU A 18 -1.787 8.429 -7.455 1.00 0.00 C ATOM 228 C GLU A 18 -1.725 9.137 -6.092 1.00 0.00 C ATOM 229 O GLU A 18 -1.816 10.372 -6.029 1.00 0.00 O ATOM 230 CB GLU A 18 -3.325 8.352 -7.910 1.00 0.00 C ATOM 231 CG GLU A 18 -3.484 7.904 -9.433 1.00 0.00 C ATOM 232 CD GLU A 18 -4.977 7.773 -9.869 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.854 8.022 -9.058 1.00 0.00 O ATOM 234 OE2 GLU A 18 -5.200 7.423 -11.024 1.00 0.00 O ATOM 0 H GLU A 18 -1.881 6.307 -7.316 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.203 8.995 -8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.856 7.648 -7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.792 9.327 -7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.984 8.630 -10.075 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.981 6.948 -9.581 1.00 0.00 H new ATOM 241 N ALA A 19 -1.600 8.347 -5.004 1.00 0.00 N ATOM 242 CA ALA A 19 -1.553 8.888 -3.624 1.00 0.00 C ATOM 243 C ALA A 19 -0.122 9.169 -3.244 1.00 0.00 C ATOM 244 O ALA A 19 0.166 9.332 -2.065 1.00 0.00 O ATOM 245 CB ALA A 19 -2.178 7.845 -2.617 1.00 0.00 C ATOM 0 H ALA A 19 -1.530 7.331 -5.053 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.128 9.813 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.140 8.249 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.215 7.650 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.611 6.915 -2.658 1.00 0.00 H new ATOM 251 N LYS A 20 0.804 9.118 -4.266 1.00 0.00 N ATOM 252 CA LYS A 20 2.267 9.254 -4.029 1.00 0.00 C ATOM 253 C LYS A 20 2.508 10.002 -2.718 1.00 0.00 C ATOM 254 O LYS A 20 2.045 11.135 -2.559 1.00 0.00 O ATOM 255 CB LYS A 20 2.946 10.042 -5.200 1.00 0.00 C ATOM 256 CG LYS A 20 4.558 9.841 -5.179 1.00 0.00 C ATOM 257 CD LYS A 20 5.011 8.540 -6.051 1.00 0.00 C ATOM 258 CE LYS A 20 5.246 8.953 -7.546 1.00 0.00 C ATOM 259 NZ LYS A 20 6.438 9.825 -7.567 1.00 0.00 N ATOM 0 H LYS A 20 0.554 8.985 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 20 2.701 8.256 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.546 9.699 -6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.707 11.102 -5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.042 10.733 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.898 9.726 -4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.923 8.113 -5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.243 7.768 -5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.400 8.073 -8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.377 9.477 -7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.930 9.719 -8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.146 10.816 -7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.079 9.555 -6.794 1.00 0.00 H new ATOM 273 N PHE A 21 3.167 9.327 -1.764 1.00 0.00 N ATOM 274 CA PHE A 21 3.410 9.876 -0.426 1.00 0.00 C ATOM 275 C PHE A 21 4.829 9.590 -0.019 1.00 0.00 C ATOM 276 O PHE A 21 5.568 8.883 -0.740 1.00 0.00 O ATOM 277 CB PHE A 21 2.377 9.235 0.565 1.00 0.00 C ATOM 278 CG PHE A 21 2.582 7.651 0.604 1.00 0.00 C ATOM 279 CD1 PHE A 21 2.013 6.819 -0.407 1.00 0.00 C ATOM 280 CD2 PHE A 21 3.359 7.043 1.628 1.00 0.00 C ATOM 281 CE1 PHE A 21 2.226 5.416 -0.390 1.00 0.00 C ATOM 282 CE2 PHE A 21 3.561 5.636 1.641 1.00 0.00 C ATOM 283 CZ PHE A 21 2.997 4.831 0.628 1.00 0.00 C ATOM 0 H PHE A 21 3.544 8.389 -1.900 1.00 0.00 H new ATOM 0 HA PHE A 21 3.277 10.958 -0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.508 9.653 1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.361 9.473 0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.416 7.261 -1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.799 7.655 2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.794 4.796 -1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.147 5.182 2.427 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.159 3.763 0.636 1.00 0.00 H new ATOM 293 N ASN A 22 5.222 10.156 1.134 1.00 0.00 N ATOM 294 CA ASN A 22 6.583 9.988 1.663 1.00 0.00 C ATOM 295 C ASN A 22 6.993 8.456 1.645 1.00 0.00 C ATOM 296 O ASN A 22 6.284 7.635 2.225 1.00 0.00 O ATOM 297 CB ASN A 22 6.657 10.586 3.117 1.00 0.00 C ATOM 298 CG ASN A 22 6.417 12.103 3.060 1.00 0.00 C ATOM 299 OD1 ASN A 22 5.425 12.619 3.591 1.00 0.00 O ATOM 300 ND2 ASN A 22 7.275 12.836 2.412 1.00 0.00 N ATOM 0 H ASN A 22 4.616 10.733 1.716 1.00 0.00 H new ATOM 0 HA ASN A 22 7.291 10.526 1.033 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.910 10.113 3.755 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.632 10.378 3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.133 13.843 2.339 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.090 12.403 1.977 1.00 0.00 H new ATOM 307 N PRO A 23 8.098 8.056 0.950 1.00 0.00 N ATOM 308 CA PRO A 23 8.512 6.587 0.855 1.00 0.00 C ATOM 309 C PRO A 23 9.013 6.026 2.203 1.00 0.00 C ATOM 310 O PRO A 23 9.116 4.803 2.373 1.00 0.00 O ATOM 311 CB PRO A 23 9.644 6.607 -0.251 1.00 0.00 C ATOM 312 CG PRO A 23 10.246 8.006 -0.179 1.00 0.00 C ATOM 313 CD PRO A 23 9.077 8.946 0.206 1.00 0.00 C ATOM 0 HA PRO A 23 7.682 5.929 0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.397 5.843 -0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.232 6.406 -1.240 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.045 8.051 0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.682 8.294 -1.136 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.420 9.769 0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.617 9.389 -0.677 1.00 0.00 H new ATOM 321 N ARG A 24 9.349 6.947 3.146 1.00 0.00 N ATOM 322 CA ARG A 24 9.887 6.572 4.492 1.00 0.00 C ATOM 323 C ARG A 24 8.764 6.394 5.508 1.00 0.00 C ATOM 324 O ARG A 24 9.017 5.975 6.647 1.00 0.00 O ATOM 325 CB ARG A 24 10.898 7.669 4.968 1.00 0.00 C ATOM 326 CG ARG A 24 12.151 7.744 3.986 1.00 0.00 C ATOM 327 CD ARG A 24 13.136 8.875 4.437 1.00 0.00 C ATOM 328 NE ARG A 24 12.459 10.198 4.273 1.00 0.00 N ATOM 329 CZ ARG A 24 13.042 11.358 4.631 1.00 0.00 C ATOM 330 NH1 ARG A 24 14.228 11.339 5.161 1.00 0.00 N ATOM 331 NH2 ARG A 24 12.414 12.492 4.455 1.00 0.00 N ATOM 0 H ARG A 24 9.259 7.953 3.004 1.00 0.00 H new ATOM 0 HA ARG A 24 10.403 5.615 4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.400 8.638 5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.236 7.445 5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.670 6.785 3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.811 7.934 2.968 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.429 8.728 5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.048 8.841 3.841 1.00 0.00 H new ATOM 0 HE ARG A 24 11.520 10.223 3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.709 10.451 5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.678 12.212 5.435 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.480 12.499 4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.858 13.369 4.727 1.00 0.00 H new ATOM 345 N ALA A 25 7.515 6.673 5.085 1.00 0.00 N ATOM 346 CA ALA A 25 6.347 6.486 5.949 1.00 0.00 C ATOM 347 C ALA A 25 6.105 4.974 6.069 1.00 0.00 C ATOM 348 O ALA A 25 6.511 4.202 5.182 1.00 0.00 O ATOM 349 CB ALA A 25 5.104 7.209 5.351 1.00 0.00 C ATOM 0 H ALA A 25 7.296 7.027 4.154 1.00 0.00 H new ATOM 0 HA ALA A 25 6.521 6.918 6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.246 7.059 6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.311 8.275 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.884 6.799 4.365 1.00 0.00 H new ATOM 355 N THR A 26 5.479 4.586 7.173 1.00 0.00 N ATOM 356 CA THR A 26 5.165 3.197 7.484 1.00 0.00 C ATOM 357 C THR A 26 3.714 2.940 7.090 1.00 0.00 C ATOM 358 O THR A 26 2.943 3.886 6.826 1.00 0.00 O ATOM 359 CB THR A 26 5.372 2.937 9.041 1.00 0.00 C ATOM 360 OG1 THR A 26 4.430 3.716 9.776 1.00 0.00 O ATOM 361 CG2 THR A 26 6.833 3.341 9.492 1.00 0.00 C ATOM 0 H THR A 26 5.169 5.241 7.891 1.00 0.00 H new ATOM 0 HA THR A 26 5.822 2.523 6.935 1.00 0.00 H new ATOM 0 HB THR A 26 5.225 1.875 9.236 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.552 3.558 10.735 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.949 3.154 10.560 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.562 2.749 8.938 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.997 4.399 9.289 1.00 0.00 H new ATOM 369 N PHE A 27 3.356 1.663 7.082 1.00 0.00 N ATOM 370 CA PHE A 27 2.001 1.201 6.763 1.00 0.00 C ATOM 371 C PHE A 27 0.965 1.784 7.760 1.00 0.00 C ATOM 372 O PHE A 27 -0.119 2.217 7.357 1.00 0.00 O ATOM 373 CB PHE A 27 1.961 -0.363 6.809 1.00 0.00 C ATOM 374 CG PHE A 27 0.466 -0.833 6.647 1.00 0.00 C ATOM 375 CD1 PHE A 27 -0.191 -0.665 5.395 1.00 0.00 C ATOM 376 CD2 PHE A 27 -0.275 -1.356 7.758 1.00 0.00 C ATOM 377 CE1 PHE A 27 -1.534 -1.023 5.248 1.00 0.00 C ATOM 378 CE2 PHE A 27 -1.629 -1.706 7.594 1.00 0.00 C ATOM 379 CZ PHE A 27 -2.254 -1.540 6.345 1.00 0.00 C ATOM 0 H PHE A 27 4.003 0.905 7.299 1.00 0.00 H new ATOM 0 HA PHE A 27 1.742 1.548 5.763 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.577 -0.781 6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.371 -0.724 7.752 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.352 -0.259 4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.204 -1.481 8.718 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.022 -0.903 4.292 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.188 -2.102 8.428 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.293 -1.810 6.225 1.00 0.00 H new ATOM 389 N SER A 28 1.311 1.767 9.061 1.00 0.00 N ATOM 390 CA SER A 28 0.411 2.272 10.133 1.00 0.00 C ATOM 391 C SER A 28 0.042 3.759 9.881 1.00 0.00 C ATOM 392 O SER A 28 -1.118 4.150 10.027 1.00 0.00 O ATOM 393 CB SER A 28 1.126 2.140 11.513 1.00 0.00 C ATOM 394 OG SER A 28 0.260 2.615 12.541 1.00 0.00 O ATOM 0 H SER A 28 2.204 1.411 9.402 1.00 0.00 H new ATOM 0 HA SER A 28 -0.504 1.680 10.131 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.393 1.100 11.699 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.054 2.712 11.511 1.00 0.00 H new ATOM 0 HG SER A 28 0.707 2.532 13.409 1.00 0.00 H new ATOM 400 N GLU A 29 1.045 4.559 9.471 1.00 0.00 N ATOM 401 CA GLU A 29 0.849 6.011 9.163 1.00 0.00 C ATOM 402 C GLU A 29 0.015 6.203 7.881 1.00 0.00 C ATOM 403 O GLU A 29 -0.930 7.021 7.838 1.00 0.00 O ATOM 404 CB GLU A 29 2.278 6.697 9.000 1.00 0.00 C ATOM 405 CG GLU A 29 3.064 6.731 10.389 1.00 0.00 C ATOM 406 CD GLU A 29 2.326 7.633 11.425 1.00 0.00 C ATOM 407 OE1 GLU A 29 2.085 8.780 11.098 1.00 0.00 O ATOM 408 OE2 GLU A 29 2.019 7.152 12.514 1.00 0.00 O ATOM 0 H GLU A 29 2.004 4.235 9.342 1.00 0.00 H new ATOM 0 HA GLU A 29 0.302 6.477 9.982 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.864 6.151 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.156 7.713 8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.157 5.719 10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.075 7.106 10.230 1.00 0.00 H new ATOM 415 N PHE A 30 0.362 5.431 6.846 1.00 0.00 N ATOM 416 CA PHE A 30 -0.344 5.491 5.558 1.00 0.00 C ATOM 417 C PHE A 30 -1.833 5.033 5.703 1.00 0.00 C ATOM 418 O PHE A 30 -2.759 5.686 5.190 1.00 0.00 O ATOM 419 CB PHE A 30 0.400 4.574 4.538 1.00 0.00 C ATOM 420 CG PHE A 30 -0.349 4.665 3.153 1.00 0.00 C ATOM 421 CD1 PHE A 30 -0.155 5.810 2.329 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.294 3.662 2.752 1.00 0.00 C ATOM 423 CE1 PHE A 30 -0.875 5.947 1.123 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.999 3.808 1.534 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.794 4.951 0.728 1.00 0.00 C ATOM 0 H PHE A 30 1.127 4.757 6.873 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.350 6.522 5.205 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.438 4.890 4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.416 3.544 4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.545 6.576 2.628 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.466 2.799 3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.722 6.816 0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.695 3.045 1.219 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.343 5.063 -0.195 1.00 0.00 H new ATOM 435 N ALA A 31 -2.022 3.883 6.406 1.00 0.00 N ATOM 436 CA ALA A 31 -3.368 3.279 6.638 1.00 0.00 C ATOM 437 C ALA A 31 -4.225 4.201 7.513 1.00 0.00 C ATOM 438 O ALA A 31 -5.412 4.339 7.276 1.00 0.00 O ATOM 439 CB ALA A 31 -3.206 1.877 7.326 1.00 0.00 C ATOM 0 H ALA A 31 -1.258 3.353 6.824 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.869 3.152 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.190 1.438 7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.621 1.221 6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.694 1.997 8.281 1.00 0.00 H new ATOM 445 N ALA A 32 -3.584 4.836 8.525 1.00 0.00 N ATOM 446 CA ALA A 32 -4.284 5.766 9.463 1.00 0.00 C ATOM 447 C ALA A 32 -4.917 6.923 8.681 1.00 0.00 C ATOM 448 O ALA A 32 -6.039 7.368 8.988 1.00 0.00 O ATOM 449 CB ALA A 32 -3.258 6.342 10.514 1.00 0.00 C ATOM 0 H ALA A 32 -2.588 4.726 8.717 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.066 5.215 9.985 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.775 7.019 11.194 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.820 5.521 11.082 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.469 6.884 9.993 1.00 0.00 H new ATOM 455 N LYS A 33 -4.191 7.398 7.663 1.00 0.00 N ATOM 456 CA LYS A 33 -4.677 8.501 6.819 1.00 0.00 C ATOM 457 C LYS A 33 -5.839 8.048 5.882 1.00 0.00 C ATOM 458 O LYS A 33 -6.827 8.778 5.712 1.00 0.00 O ATOM 459 CB LYS A 33 -3.491 9.079 5.962 1.00 0.00 C ATOM 460 CG LYS A 33 -3.963 10.380 5.148 1.00 0.00 C ATOM 461 CD LYS A 33 -2.784 11.025 4.331 1.00 0.00 C ATOM 462 CE LYS A 33 -3.273 12.319 3.565 1.00 0.00 C ATOM 463 NZ LYS A 33 -2.131 12.876 2.855 1.00 0.00 N ATOM 0 H LYS A 33 -3.272 7.041 7.403 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.068 9.276 7.478 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.655 9.334 6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.133 8.319 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.770 10.108 4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.367 11.116 5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.967 11.283 5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.392 10.301 3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.072 12.070 2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.678 13.048 4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.425 13.731 2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.385 13.121 3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.766 12.174 2.180 1.00 0.00 H new ATOM 477 N HIS A 34 -5.673 6.855 5.248 1.00 0.00 N ATOM 478 CA HIS A 34 -6.665 6.301 4.277 1.00 0.00 C ATOM 479 C HIS A 34 -7.637 5.364 4.990 1.00 0.00 C ATOM 480 O HIS A 34 -8.453 4.720 4.348 1.00 0.00 O ATOM 481 CB HIS A 34 -5.894 5.537 3.127 1.00 0.00 C ATOM 482 CG HIS A 34 -5.089 6.536 2.316 1.00 0.00 C ATOM 483 ND1 HIS A 34 -3.815 6.933 2.689 1.00 0.00 N ATOM 484 CD2 HIS A 34 -5.382 7.241 1.179 1.00 0.00 C ATOM 485 CE1 HIS A 34 -3.395 7.841 1.791 1.00 0.00 C ATOM 486 NE2 HIS A 34 -4.313 8.062 0.847 1.00 0.00 N ATOM 0 H HIS A 34 -4.860 6.255 5.391 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.242 7.116 3.840 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.234 4.782 3.555 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.602 5.014 2.483 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.291 6.598 3.497 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.306 7.169 0.624 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.433 8.331 1.829 1.00 0.00 H new ATOM 494 N ALA A 35 -7.505 5.265 6.337 1.00 0.00 N ATOM 495 CA ALA A 35 -8.353 4.352 7.157 1.00 0.00 C ATOM 496 C ALA A 35 -9.841 4.585 6.832 1.00 0.00 C ATOM 497 O ALA A 35 -10.622 3.639 6.772 1.00 0.00 O ATOM 498 CB ALA A 35 -8.103 4.606 8.702 1.00 0.00 C ATOM 0 H ALA A 35 -6.826 5.800 6.878 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.086 3.322 6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.729 3.932 9.287 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.054 4.422 8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.354 5.638 8.946 1.00 0.00 H new ATOM 504 N LYS A 36 -10.215 5.863 6.623 1.00 0.00 N ATOM 505 CA LYS A 36 -11.621 6.251 6.316 1.00 0.00 C ATOM 506 C LYS A 36 -11.934 6.043 4.849 1.00 0.00 C ATOM 507 O LYS A 36 -13.104 6.130 4.447 1.00 0.00 O ATOM 508 CB LYS A 36 -11.824 7.767 6.679 1.00 0.00 C ATOM 509 CG LYS A 36 -11.635 7.996 8.234 1.00 0.00 C ATOM 510 CD LYS A 36 -11.844 9.530 8.628 1.00 0.00 C ATOM 511 CE LYS A 36 -11.702 9.725 10.190 1.00 0.00 C ATOM 512 NZ LYS A 36 -10.327 9.319 10.584 1.00 0.00 N ATOM 0 H LYS A 36 -9.568 6.650 6.660 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.292 5.625 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.110 8.378 6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.821 8.089 6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.345 7.378 8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.637 7.675 8.532 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.110 10.148 8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.829 9.864 8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.884 10.765 10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.442 9.123 10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.123 9.670 11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.255 8.282 10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.641 9.722 9.914 1.00 0.00 H new ATOM 526 N ASP A 37 -10.898 5.778 4.034 1.00 0.00 N ATOM 527 CA ASP A 37 -11.096 5.559 2.592 1.00 0.00 C ATOM 528 C ASP A 37 -11.840 4.211 2.406 1.00 0.00 C ATOM 529 O ASP A 37 -11.479 3.222 3.031 1.00 0.00 O ATOM 530 CB ASP A 37 -9.706 5.547 1.829 1.00 0.00 C ATOM 531 CG ASP A 37 -9.882 5.665 0.292 1.00 0.00 C ATOM 532 OD1 ASP A 37 -10.959 5.361 -0.197 1.00 0.00 O ATOM 533 OD2 ASP A 37 -8.922 6.054 -0.364 1.00 0.00 O ATOM 0 H ASP A 37 -9.929 5.711 4.344 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.689 6.371 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.089 6.371 2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.173 4.625 2.063 1.00 0.00 H new ATOM 538 N SER A 38 -12.878 4.203 1.568 1.00 0.00 N ATOM 539 CA SER A 38 -13.692 2.979 1.279 1.00 0.00 C ATOM 540 C SER A 38 -12.807 1.880 0.613 1.00 0.00 C ATOM 541 O SER A 38 -12.989 0.676 0.845 1.00 0.00 O ATOM 542 CB SER A 38 -14.873 3.383 0.348 1.00 0.00 C ATOM 543 OG SER A 38 -15.750 4.226 1.078 1.00 0.00 O ATOM 0 H SER A 38 -13.192 5.032 1.063 1.00 0.00 H new ATOM 0 HA SER A 38 -14.085 2.564 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.499 3.899 -0.536 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.402 2.496 -0.000 1.00 0.00 H new ATOM 0 HG SER A 38 -16.500 4.492 0.506 1.00 0.00 H new ATOM 549 N ARG A 39 -11.843 2.350 -0.217 1.00 0.00 N ATOM 550 CA ARG A 39 -10.877 1.472 -0.957 1.00 0.00 C ATOM 551 C ARG A 39 -9.993 0.697 0.019 1.00 0.00 C ATOM 552 O ARG A 39 -9.511 -0.400 -0.287 1.00 0.00 O ATOM 553 CB ARG A 39 -9.984 2.338 -1.931 1.00 0.00 C ATOM 554 CG ARG A 39 -10.843 2.897 -3.159 1.00 0.00 C ATOM 555 CD ARG A 39 -9.958 3.794 -4.096 1.00 0.00 C ATOM 556 NE ARG A 39 -9.568 5.024 -3.356 1.00 0.00 N ATOM 557 CZ ARG A 39 -10.401 6.100 -3.212 1.00 0.00 C ATOM 558 NH1 ARG A 39 -11.622 6.075 -3.691 1.00 0.00 N ATOM 559 NH2 ARG A 39 -10.000 7.147 -2.550 1.00 0.00 N ATOM 0 H ARG A 39 -11.706 3.344 -0.398 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.449 0.756 -1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.545 3.171 -1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.159 1.733 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.256 2.064 -3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.687 3.476 -2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.070 3.247 -4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.510 4.056 -4.999 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.639 5.067 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.962 5.246 -4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.232 6.885 -3.576 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.066 7.164 -2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.620 7.950 -2.442 1.00 0.00 H new ATOM 573 N PHE A 40 -9.765 1.289 1.192 1.00 0.00 N ATOM 574 CA PHE A 40 -8.949 0.643 2.224 1.00 0.00 C ATOM 575 C PHE A 40 -9.702 -0.619 2.786 1.00 0.00 C ATOM 576 O PHE A 40 -9.127 -1.703 2.944 1.00 0.00 O ATOM 577 CB PHE A 40 -8.621 1.670 3.352 1.00 0.00 C ATOM 578 CG PHE A 40 -7.726 0.980 4.420 1.00 0.00 C ATOM 579 CD1 PHE A 40 -6.348 0.770 4.137 1.00 0.00 C ATOM 580 CD2 PHE A 40 -8.276 0.504 5.653 1.00 0.00 C ATOM 581 CE1 PHE A 40 -5.540 0.113 5.061 1.00 0.00 C ATOM 582 CE2 PHE A 40 -7.451 -0.149 6.575 1.00 0.00 C ATOM 583 CZ PHE A 40 -6.091 -0.351 6.283 1.00 0.00 C ATOM 0 H PHE A 40 -10.129 2.206 1.451 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.006 0.304 1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.109 2.537 2.935 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.541 2.033 3.810 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.929 1.120 3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.324 0.648 5.871 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.493 -0.043 4.847 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.859 -0.498 7.512 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.461 -0.863 6.995 1.00 0.00 H new ATOM 593 N LYS A 41 -11.017 -0.397 3.100 1.00 0.00 N ATOM 594 CA LYS A 41 -11.937 -1.437 3.686 1.00 0.00 C ATOM 595 C LYS A 41 -12.281 -2.520 2.664 1.00 0.00 C ATOM 596 O LYS A 41 -12.847 -3.563 3.023 1.00 0.00 O ATOM 597 CB LYS A 41 -13.269 -0.744 4.189 1.00 0.00 C ATOM 598 CG LYS A 41 -12.988 0.351 5.326 1.00 0.00 C ATOM 599 CD LYS A 41 -12.471 -0.314 6.690 1.00 0.00 C ATOM 600 CE LYS A 41 -12.171 0.765 7.796 1.00 0.00 C ATOM 601 NZ LYS A 41 -11.753 0.063 9.028 1.00 0.00 N ATOM 0 H LYS A 41 -11.471 0.505 2.956 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.422 -1.910 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.771 -0.270 3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.948 -1.503 4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.246 1.064 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.901 0.913 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.221 -1.013 7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.568 -0.891 6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.387 1.444 7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.057 1.371 7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.550 0.760 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.517 -0.568 9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.898 -0.497 8.835 1.00 0.00 H new ATOM 615 N ALA A 42 -11.918 -2.276 1.406 1.00 0.00 N ATOM 616 CA ALA A 42 -12.155 -3.226 0.315 1.00 0.00 C ATOM 617 C ALA A 42 -11.343 -4.514 0.575 1.00 0.00 C ATOM 618 O ALA A 42 -11.811 -5.624 0.266 1.00 0.00 O ATOM 619 CB ALA A 42 -11.713 -2.577 -1.047 1.00 0.00 C ATOM 0 H ALA A 42 -11.452 -1.417 1.112 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.215 -3.474 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.888 -3.282 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.291 -1.670 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.652 -2.329 -1.005 1.00 0.00 H new ATOM 625 N ILE A 43 -10.119 -4.346 1.158 1.00 0.00 N ATOM 626 CA ILE A 43 -9.233 -5.497 1.463 1.00 0.00 C ATOM 627 C ILE A 43 -9.659 -6.053 2.826 1.00 0.00 C ATOM 628 O ILE A 43 -9.707 -5.322 3.809 1.00 0.00 O ATOM 629 CB ILE A 43 -7.688 -5.063 1.484 1.00 0.00 C ATOM 630 CG1 ILE A 43 -7.364 -4.136 0.188 1.00 0.00 C ATOM 631 CG2 ILE A 43 -6.724 -6.357 1.548 1.00 0.00 C ATOM 632 CD1 ILE A 43 -7.724 -4.798 -1.190 1.00 0.00 C ATOM 0 H ILE A 43 -9.734 -3.438 1.420 1.00 0.00 H new ATOM 0 HA ILE A 43 -9.331 -6.257 0.688 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.494 -4.478 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.912 -3.198 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.303 -3.887 0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.683 -6.035 1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.939 -6.927 2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.899 -6.984 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.476 -4.111 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.156 -5.721 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.790 -5.022 -1.219 1.00 0.00 H new ATOM 644 N GLU A 44 -10.000 -7.352 2.848 1.00 0.00 N ATOM 645 CA GLU A 44 -10.451 -8.051 4.056 1.00 0.00 C ATOM 646 C GLU A 44 -9.239 -8.555 4.858 1.00 0.00 C ATOM 647 O GLU A 44 -9.190 -8.426 6.090 1.00 0.00 O ATOM 648 CB GLU A 44 -11.347 -9.277 3.607 1.00 0.00 C ATOM 649 CG GLU A 44 -12.708 -8.769 2.937 1.00 0.00 C ATOM 650 CD GLU A 44 -13.603 -9.940 2.454 1.00 0.00 C ATOM 651 OE1 GLU A 44 -13.234 -11.084 2.662 1.00 0.00 O ATOM 652 OE2 GLU A 44 -14.654 -9.656 1.894 1.00 0.00 O ATOM 0 H GLU A 44 -9.969 -7.948 2.021 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.024 -7.374 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.796 -9.896 2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.573 -9.904 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.261 -8.166 3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.474 -8.122 2.092 1.00 0.00 H new ATOM 659 N LYS A 45 -8.259 -9.152 4.129 1.00 0.00 N ATOM 660 CA LYS A 45 -7.048 -9.718 4.749 1.00 0.00 C ATOM 661 C LYS A 45 -6.094 -8.615 5.089 1.00 0.00 C ATOM 662 O LYS A 45 -5.550 -7.963 4.212 1.00 0.00 O ATOM 663 CB LYS A 45 -6.362 -10.727 3.757 1.00 0.00 C ATOM 664 CG LYS A 45 -7.297 -11.986 3.509 1.00 0.00 C ATOM 665 CD LYS A 45 -6.618 -13.012 2.510 1.00 0.00 C ATOM 666 CE LYS A 45 -7.535 -14.264 2.267 1.00 0.00 C ATOM 667 NZ LYS A 45 -6.841 -15.159 1.335 1.00 0.00 N ATOM 0 H LYS A 45 -8.291 -9.250 3.114 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.326 -10.247 5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.153 -10.230 2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.405 -11.052 4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.505 -12.481 4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.254 -11.658 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.415 -12.518 1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.658 -13.334 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.738 -14.776 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.497 -13.958 1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.429 -15.998 1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.668 -14.661 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.933 -15.454 1.748 1.00 0.00 H new ATOM 681 N MET A 46 -5.884 -8.429 6.376 1.00 0.00 N ATOM 682 CA MET A 46 -4.980 -7.412 6.873 1.00 0.00 C ATOM 683 C MET A 46 -3.519 -7.710 6.420 1.00 0.00 C ATOM 684 O MET A 46 -2.754 -6.803 6.105 1.00 0.00 O ATOM 685 CB MET A 46 -5.092 -7.329 8.443 1.00 0.00 C ATOM 686 CG MET A 46 -4.150 -6.186 9.000 1.00 0.00 C ATOM 687 SD MET A 46 -4.340 -5.982 10.793 1.00 0.00 S ATOM 688 CE MET A 46 -3.173 -4.582 11.000 1.00 0.00 C ATOM 0 H MET A 46 -6.335 -8.979 7.107 1.00 0.00 H new ATOM 0 HA MET A 46 -5.259 -6.444 6.456 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.125 -7.131 8.731 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.815 -8.286 8.885 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.112 -6.423 8.768 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.382 -5.246 8.499 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.136 -4.291 12.050 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.179 -4.886 10.673 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.510 -3.736 10.401 1.00 0.00 H new ATOM 698 N LYS A 47 -3.159 -8.997 6.436 1.00 0.00 N ATOM 699 CA LYS A 47 -1.794 -9.470 6.079 1.00 0.00 C ATOM 700 C LYS A 47 -1.439 -9.093 4.643 1.00 0.00 C ATOM 701 O LYS A 47 -0.282 -8.739 4.336 1.00 0.00 O ATOM 702 CB LYS A 47 -1.744 -11.038 6.230 1.00 0.00 C ATOM 703 CG LYS A 47 -1.911 -11.458 7.751 1.00 0.00 C ATOM 704 CD LYS A 47 -1.867 -13.047 7.927 1.00 0.00 C ATOM 705 CE LYS A 47 -2.058 -13.445 9.446 1.00 0.00 C ATOM 706 NZ LYS A 47 -0.964 -12.809 10.229 1.00 0.00 N ATOM 0 H LYS A 47 -3.797 -9.750 6.695 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.074 -8.996 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.535 -11.492 5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.797 -11.416 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.118 -11.003 8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.857 -11.074 8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.650 -13.507 7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.915 -13.432 7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.030 -13.110 9.808 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.030 -14.528 9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.899 -13.259 11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.062 -12.927 9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.165 -11.795 10.346 1.00 0.00 H new ATOM 720 N ASP A 48 -2.448 -9.176 3.769 1.00 0.00 N ATOM 721 CA ASP A 48 -2.274 -8.854 2.352 1.00 0.00 C ATOM 722 C ASP A 48 -1.911 -7.362 2.193 1.00 0.00 C ATOM 723 O ASP A 48 -1.173 -6.994 1.297 1.00 0.00 O ATOM 724 CB ASP A 48 -3.587 -9.172 1.542 1.00 0.00 C ATOM 725 CG ASP A 48 -3.398 -8.849 0.033 1.00 0.00 C ATOM 726 OD1 ASP A 48 -2.589 -9.513 -0.589 1.00 0.00 O ATOM 727 OD2 ASP A 48 -4.050 -7.932 -0.458 1.00 0.00 O ATOM 0 H ASP A 48 -3.394 -9.464 4.020 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.465 -9.468 1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.849 -10.223 1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.416 -8.589 1.942 1.00 0.00 H new ATOM 732 N ARG A 49 -2.470 -6.501 3.066 1.00 0.00 N ATOM 733 CA ARG A 49 -2.228 -5.038 2.977 1.00 0.00 C ATOM 734 C ARG A 49 -0.738 -4.746 3.164 1.00 0.00 C ATOM 735 O ARG A 49 -0.154 -3.913 2.455 1.00 0.00 O ATOM 736 CB ARG A 49 -3.013 -4.306 4.101 1.00 0.00 C ATOM 737 CG ARG A 49 -4.569 -4.542 3.963 1.00 0.00 C ATOM 738 CD ARG A 49 -5.341 -3.810 5.100 1.00 0.00 C ATOM 739 NE ARG A 49 -6.761 -4.224 5.095 1.00 0.00 N ATOM 740 CZ ARG A 49 -7.623 -3.820 6.040 1.00 0.00 C ATOM 741 NH1 ARG A 49 -7.217 -3.048 7.002 1.00 0.00 N ATOM 742 NH2 ARG A 49 -8.839 -4.223 6.009 1.00 0.00 N ATOM 0 H ARG A 49 -3.083 -6.782 3.831 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.559 -4.689 1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.674 -4.661 5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.800 -3.238 4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.912 -4.181 2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.784 -5.610 4.000 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.890 -4.041 6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.268 -2.731 4.964 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.095 -4.835 4.350 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.243 -2.749 7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.873 -2.741 7.721 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.150 -4.850 5.267 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.496 -3.917 6.727 1.00 0.00 H new ATOM 756 N GLU A 50 -0.141 -5.445 4.151 1.00 0.00 N ATOM 757 CA GLU A 50 1.290 -5.263 4.469 1.00 0.00 C ATOM 758 C GLU A 50 2.156 -5.733 3.273 1.00 0.00 C ATOM 759 O GLU A 50 3.151 -5.089 2.932 1.00 0.00 O ATOM 760 CB GLU A 50 1.691 -6.082 5.761 1.00 0.00 C ATOM 761 CG GLU A 50 3.212 -5.764 6.198 1.00 0.00 C ATOM 762 CD GLU A 50 3.609 -6.530 7.475 1.00 0.00 C ATOM 763 OE1 GLU A 50 2.903 -6.394 8.450 1.00 0.00 O ATOM 764 OE2 GLU A 50 4.628 -7.223 7.455 1.00 0.00 O ATOM 0 H GLU A 50 -0.620 -6.131 4.734 1.00 0.00 H new ATOM 0 HA GLU A 50 1.465 -4.204 4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.014 -5.833 6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.580 -7.149 5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.888 -6.034 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.326 -4.693 6.365 1.00 0.00 H new ATOM 771 N ALA A 51 1.772 -6.900 2.663 1.00 0.00 N ATOM 772 CA ALA A 51 2.531 -7.492 1.527 1.00 0.00 C ATOM 773 C ALA A 51 2.662 -6.467 0.382 1.00 0.00 C ATOM 774 O ALA A 51 3.772 -6.212 -0.129 1.00 0.00 O ATOM 775 CB ALA A 51 1.779 -8.795 1.016 1.00 0.00 C ATOM 0 H ALA A 51 0.951 -7.438 2.940 1.00 0.00 H new ATOM 0 HA ALA A 51 3.532 -7.762 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.332 -9.231 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.714 -9.519 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.775 -8.529 0.685 1.00 0.00 H new ATOM 781 N LEU A 52 1.504 -5.857 0.014 1.00 0.00 N ATOM 782 CA LEU A 52 1.443 -4.823 -1.055 1.00 0.00 C ATOM 783 C LEU A 52 2.196 -3.575 -0.691 1.00 0.00 C ATOM 784 O LEU A 52 2.894 -2.984 -1.522 1.00 0.00 O ATOM 785 CB LEU A 52 -0.055 -4.483 -1.398 1.00 0.00 C ATOM 786 CG LEU A 52 -0.666 -5.519 -2.496 1.00 0.00 C ATOM 787 CD1 LEU A 52 0.032 -5.330 -3.962 1.00 0.00 C ATOM 788 CD2 LEU A 52 -0.548 -7.047 -1.993 1.00 0.00 C ATOM 0 H LEU A 52 0.601 -6.063 0.441 1.00 0.00 H new ATOM 0 HA LEU A 52 1.929 -5.241 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.655 -4.520 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.119 -3.465 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.725 -5.283 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.403 -6.039 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.139 -4.314 -4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.104 -5.511 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.965 -7.712 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.500 -7.296 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.100 -7.167 -1.061 1.00 0.00 H new ATOM 800 N PHE A 53 2.037 -3.156 0.553 1.00 0.00 N ATOM 801 CA PHE A 53 2.689 -1.954 1.038 1.00 0.00 C ATOM 802 C PHE A 53 4.228 -2.100 0.917 1.00 0.00 C ATOM 803 O PHE A 53 4.914 -1.216 0.407 1.00 0.00 O ATOM 804 CB PHE A 53 2.287 -1.743 2.525 1.00 0.00 C ATOM 805 CG PHE A 53 2.917 -0.403 3.030 1.00 0.00 C ATOM 806 CD1 PHE A 53 2.258 0.828 2.755 1.00 0.00 C ATOM 807 CD2 PHE A 53 4.184 -0.389 3.695 1.00 0.00 C ATOM 808 CE1 PHE A 53 2.837 2.040 3.145 1.00 0.00 C ATOM 809 CE2 PHE A 53 4.749 0.840 4.093 1.00 0.00 C ATOM 810 CZ PHE A 53 4.079 2.051 3.811 1.00 0.00 C ATOM 0 H PHE A 53 1.460 -3.633 1.246 1.00 0.00 H new ATOM 0 HA PHE A 53 2.378 -1.095 0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.202 -1.710 2.622 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.636 -2.578 3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.307 0.826 2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.705 -1.315 3.891 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.331 2.971 2.935 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.695 0.855 4.614 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.521 2.991 4.107 1.00 0.00 H new ATOM 820 N ASN A 54 4.739 -3.250 1.398 1.00 0.00 N ATOM 821 CA ASN A 54 6.198 -3.546 1.368 1.00 0.00 C ATOM 822 C ASN A 54 6.684 -3.611 -0.076 1.00 0.00 C ATOM 823 O ASN A 54 7.779 -3.128 -0.412 1.00 0.00 O ATOM 824 CB ASN A 54 6.488 -4.918 2.095 1.00 0.00 C ATOM 825 CG ASN A 54 6.260 -4.810 3.618 1.00 0.00 C ATOM 826 OD1 ASN A 54 6.144 -3.713 4.173 1.00 0.00 O ATOM 827 ND2 ASN A 54 6.228 -5.888 4.322 1.00 0.00 N ATOM 0 H ASN A 54 4.172 -3.990 1.811 1.00 0.00 H new ATOM 0 HA ASN A 54 6.731 -2.751 1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.842 -5.693 1.683 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.516 -5.224 1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.107 -5.833 5.333 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.323 -6.796 3.868 1.00 0.00 H new ATOM 834 N GLU A 55 5.846 -4.241 -0.933 1.00 0.00 N ATOM 835 CA GLU A 55 6.181 -4.407 -2.365 1.00 0.00 C ATOM 836 C GLU A 55 6.192 -3.049 -3.066 1.00 0.00 C ATOM 837 O GLU A 55 7.067 -2.767 -3.889 1.00 0.00 O ATOM 838 CB GLU A 55 5.139 -5.362 -3.092 1.00 0.00 C ATOM 839 CG GLU A 55 5.672 -5.806 -4.554 1.00 0.00 C ATOM 840 CD GLU A 55 6.954 -6.709 -4.459 1.00 0.00 C ATOM 841 OE1 GLU A 55 7.131 -7.358 -3.439 1.00 0.00 O ATOM 842 OE2 GLU A 55 7.722 -6.741 -5.424 1.00 0.00 O ATOM 0 H GLU A 55 4.946 -4.637 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 55 7.171 -4.860 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.966 -6.248 -2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.181 -4.851 -3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.885 -6.347 -5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.896 -4.918 -5.144 1.00 0.00 H new ATOM 849 N PHE A 56 5.166 -2.219 -2.750 1.00 0.00 N ATOM 850 CA PHE A 56 4.999 -0.903 -3.371 1.00 0.00 C ATOM 851 C PHE A 56 6.205 0.001 -3.074 1.00 0.00 C ATOM 852 O PHE A 56 6.749 0.631 -3.980 1.00 0.00 O ATOM 853 CB PHE A 56 3.691 -0.239 -2.813 1.00 0.00 C ATOM 854 CG PHE A 56 3.530 1.192 -3.462 1.00 0.00 C ATOM 855 CD1 PHE A 56 3.073 1.302 -4.805 1.00 0.00 C ATOM 856 CD2 PHE A 56 3.905 2.382 -2.748 1.00 0.00 C ATOM 857 CE1 PHE A 56 2.972 2.569 -5.417 1.00 0.00 C ATOM 858 CE2 PHE A 56 3.809 3.644 -3.379 1.00 0.00 C ATOM 859 CZ PHE A 56 3.345 3.734 -4.707 1.00 0.00 C ATOM 0 H PHE A 56 4.446 -2.449 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 56 4.926 -1.029 -4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.825 -0.858 -3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.743 -0.157 -1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.803 0.414 -5.357 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.260 2.312 -1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.609 2.650 -6.431 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.091 4.539 -2.844 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.274 4.699 -5.186 1.00 0.00 H new ATOM 869 N VAL A 57 6.598 0.050 -1.780 1.00 0.00 N ATOM 870 CA VAL A 57 7.750 0.884 -1.327 1.00 0.00 C ATOM 871 C VAL A 57 9.054 0.378 -1.972 1.00 0.00 C ATOM 872 O VAL A 57 9.867 1.169 -2.472 1.00 0.00 O ATOM 873 CB VAL A 57 7.864 0.828 0.270 1.00 0.00 C ATOM 874 CG1 VAL A 57 9.238 1.522 0.794 1.00 0.00 C ATOM 875 CG2 VAL A 57 6.580 1.538 0.936 1.00 0.00 C ATOM 0 H VAL A 57 6.142 -0.472 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 57 7.587 1.917 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 57 7.891 -0.219 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.282 1.466 1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.095 0.999 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.259 2.567 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.664 1.496 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.532 2.579 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.674 1.020 0.622 1.00 0.00 H new ATOM 885 N ALA A 58 9.243 -0.970 -1.947 1.00 0.00 N ATOM 886 CA ALA A 58 10.455 -1.607 -2.507 1.00 0.00 C ATOM 887 C ALA A 58 10.524 -1.386 -4.034 1.00 0.00 C ATOM 888 O ALA A 58 11.594 -1.099 -4.578 1.00 0.00 O ATOM 889 CB ALA A 58 10.443 -3.146 -2.171 1.00 0.00 C ATOM 0 H ALA A 58 8.573 -1.627 -1.547 1.00 0.00 H new ATOM 0 HA ALA A 58 11.338 -1.152 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.336 -3.615 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.428 -3.282 -1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.557 -3.607 -2.607 1.00 0.00 H new ATOM 895 N ALA A 59 9.348 -1.512 -4.706 1.00 0.00 N ATOM 896 CA ALA A 59 9.231 -1.322 -6.178 1.00 0.00 C ATOM 897 C ALA A 59 9.375 0.171 -6.573 1.00 0.00 C ATOM 898 O ALA A 59 10.029 0.501 -7.575 1.00 0.00 O ATOM 899 CB ALA A 59 7.824 -1.862 -6.649 1.00 0.00 C ATOM 0 H ALA A 59 8.466 -1.745 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 59 10.035 -1.873 -6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.725 -1.729 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.741 -2.921 -6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.034 -1.309 -6.141 1.00 0.00 H new ATOM 905 N ALA A 60 8.719 1.069 -5.770 1.00 0.00 N ATOM 906 CA ALA A 60 8.724 2.537 -6.032 1.00 0.00 C ATOM 907 C ALA A 60 10.126 3.107 -5.874 1.00 0.00 C ATOM 908 O ALA A 60 10.564 3.957 -6.666 1.00 0.00 O ATOM 909 CB ALA A 60 7.752 3.261 -5.014 1.00 0.00 C ATOM 0 H ALA A 60 8.186 0.798 -4.944 1.00 0.00 H new ATOM 0 HA ALA A 60 8.387 2.706 -7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.757 4.334 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.741 2.874 -5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.088 3.074 -3.994 1.00 0.00 H new ATOM 915 N ARG A 61 10.835 2.627 -4.823 1.00 0.00 N ATOM 916 CA ARG A 61 12.205 3.108 -4.540 1.00 0.00 C ATOM 917 C ARG A 61 13.172 2.607 -5.591 1.00 0.00 C ATOM 918 O ARG A 61 14.049 3.347 -6.059 1.00 0.00 O ATOM 919 CB ARG A 61 12.664 2.643 -3.107 1.00 0.00 C ATOM 920 CG ARG A 61 14.135 3.200 -2.750 1.00 0.00 C ATOM 921 CD ARG A 61 14.555 2.784 -1.311 1.00 0.00 C ATOM 922 NE ARG A 61 13.645 3.443 -0.347 1.00 0.00 N ATOM 923 CZ ARG A 61 13.743 3.261 0.974 1.00 0.00 C ATOM 924 NH1 ARG A 61 14.663 2.468 1.442 1.00 0.00 N ATOM 925 NH2 ARG A 61 12.922 3.872 1.781 1.00 0.00 N ATOM 0 H ARG A 61 10.489 1.923 -4.172 1.00 0.00 H new ATOM 0 HA ARG A 61 12.200 4.198 -4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.950 2.995 -2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.664 1.554 -3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.858 2.815 -3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.147 4.287 -2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 61 14.504 1.701 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.587 3.076 -1.118 1.00 0.00 H new ATOM 0 HE ARG A 61 12.915 4.060 -0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.300 1.993 0.803 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.747 2.322 2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.203 4.490 1.405 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.998 3.732 2.788 1.00 0.00 H new