USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 455 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 38 GLN : amide:sc= -0.475 K(o=-1.5,f=-0.68) USER MOD Set 1.2: A 42 GLN : amide:sc= -1 K(o=-1.5,f=-0.68) USER MOD Single : A 8 SER OG : rot 21:sc= 0.536! USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.454! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -124:sc= -7.6! (180deg=-10.1!) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= 0.91 (180deg=0.189) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -10.6! C(o=-11!,f=-3.7!) USER MOD Single : A 23 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.38) USER MOD Single : A 25 THR OG1 : rot -79:sc= 0.131 USER MOD Single : A 31 GLN : amide:sc= -18! C(o=-18!,f=-26!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -68:sc= -0.669 USER MOD Single : A 40 TYR OH : rot 37:sc= -4.01! USER MOD Single : A 43 HIS : no HE2:sc= -8.7! C(o=-8.7!,f=-14!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.07! USER MOD Single : A 48 ASN : amide:sc= -8.77! C(o=-8.8!,f=-8.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -2.363 11.150 -10.115 1.00 0.00 N ATOM 2 CA PRO A 1 -3.229 10.945 -8.915 1.00 0.00 C ATOM 3 C PRO A 1 -2.356 10.691 -7.685 1.00 0.00 C ATOM 4 O PRO A 1 -1.200 11.065 -7.644 1.00 0.00 O ATOM 5 CB PRO A 1 -4.124 9.735 -9.173 1.00 0.00 C ATOM 6 CG PRO A 1 -3.787 9.196 -10.547 1.00 0.00 C ATOM 7 CD PRO A 1 -2.673 10.089 -11.120 1.00 0.00 C ATOM 0 H2 PRO A 1 -1.379 11.109 -9.851 1.00 0.00 H new ATOM 0 H3 PRO A 1 -2.527 12.074 -10.515 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.838 11.831 -8.734 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -3.962 8.971 -8.413 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -5.175 10.019 -9.121 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -3.456 8.159 -10.484 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -4.665 9.212 -11.193 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -1.783 9.497 -11.334 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -2.992 10.538 -12.061 1.00 0.00 H new ATOM 17 N GLU A 2 -2.898 10.059 -6.681 1.00 0.00 N ATOM 18 CA GLU A 2 -2.097 9.782 -5.454 1.00 0.00 C ATOM 19 C GLU A 2 -2.636 8.527 -4.765 1.00 0.00 C ATOM 20 O GLU A 2 -3.766 8.129 -4.964 1.00 0.00 O ATOM 21 CB GLU A 2 -2.197 10.973 -4.499 1.00 0.00 C ATOM 22 CG GLU A 2 -3.656 11.427 -4.398 1.00 0.00 C ATOM 23 CD GLU A 2 -4.068 11.492 -2.926 1.00 0.00 C ATOM 24 OE1 GLU A 2 -3.494 12.293 -2.206 1.00 0.00 O ATOM 25 OE2 GLU A 2 -4.950 10.742 -2.545 1.00 0.00 O ATOM 0 H GLU A 2 -3.860 9.722 -6.656 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.054 9.625 -5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.823 10.695 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.574 11.793 -4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.777 12.405 -4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.302 10.734 -4.937 1.00 0.00 H new ATOM 32 N PHE A 3 -1.824 7.900 -3.962 1.00 0.00 N ATOM 33 CA PHE A 3 -2.257 6.665 -3.259 1.00 0.00 C ATOM 34 C PHE A 3 -1.579 6.652 -1.882 1.00 0.00 C ATOM 35 O PHE A 3 -0.865 7.570 -1.539 1.00 0.00 O ATOM 36 CB PHE A 3 -1.828 5.462 -4.128 1.00 0.00 C ATOM 37 CG PHE A 3 -1.368 4.317 -3.302 1.00 0.00 C ATOM 38 CD1 PHE A 3 -0.103 4.379 -2.752 1.00 0.00 C ATOM 39 CD2 PHE A 3 -2.169 3.187 -3.107 1.00 0.00 C ATOM 40 CE1 PHE A 3 0.384 3.324 -2.015 1.00 0.00 C ATOM 41 CE2 PHE A 3 -1.679 2.116 -2.370 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.404 2.178 -1.825 1.00 0.00 C ATOM 0 H PHE A 3 -0.868 8.195 -3.762 1.00 0.00 H new ATOM 0 HA PHE A 3 -3.336 6.618 -3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.666 5.147 -4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.028 5.768 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.506 5.258 -2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -3.163 3.147 -3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.372 3.378 -1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.289 1.237 -2.221 1.00 0.00 H new ATOM 0 HZ PHE A 3 -0.019 1.345 -1.255 1.00 0.00 H new ATOM 52 N LEU A 4 -1.795 5.638 -1.088 1.00 0.00 N ATOM 53 CA LEU A 4 -1.151 5.611 0.259 1.00 0.00 C ATOM 54 C LEU A 4 0.358 5.512 0.100 1.00 0.00 C ATOM 55 O LEU A 4 0.929 4.444 0.167 1.00 0.00 O ATOM 56 CB LEU A 4 -1.619 4.404 1.070 1.00 0.00 C ATOM 57 CG LEU A 4 -3.118 4.221 0.927 1.00 0.00 C ATOM 58 CD1 LEU A 4 -3.377 2.726 0.773 1.00 0.00 C ATOM 59 CD2 LEU A 4 -3.814 4.770 2.170 1.00 0.00 C ATOM 0 H LEU A 4 -2.383 4.834 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.430 6.527 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.102 3.507 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.361 4.541 2.120 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.507 4.757 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.448 2.551 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.860 2.356 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.009 2.200 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.892 4.640 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.463 4.232 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.585 5.830 2.277 1.00 0.00 H new ATOM 71 N GLU A 5 1.022 6.614 -0.059 1.00 0.00 N ATOM 72 CA GLU A 5 2.494 6.551 -0.175 1.00 0.00 C ATOM 73 C GLU A 5 3.038 6.039 1.164 1.00 0.00 C ATOM 74 O GLU A 5 4.182 5.651 1.286 1.00 0.00 O ATOM 75 CB GLU A 5 3.041 7.938 -0.516 1.00 0.00 C ATOM 76 CG GLU A 5 2.489 8.393 -1.884 1.00 0.00 C ATOM 77 CD GLU A 5 2.727 9.892 -2.041 1.00 0.00 C ATOM 78 OE1 GLU A 5 3.857 10.313 -1.865 1.00 0.00 O ATOM 79 OE2 GLU A 5 1.771 10.596 -2.321 1.00 0.00 O ATOM 0 H GLU A 5 0.613 7.547 -0.113 1.00 0.00 H new ATOM 0 HA GLU A 5 2.805 5.877 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.757 8.652 0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.130 7.913 -0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.981 7.847 -2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.424 8.171 -1.953 1.00 0.00 H new ATOM 86 N ASP A 6 2.186 6.005 2.159 1.00 0.00 N ATOM 87 CA ASP A 6 2.567 5.490 3.496 1.00 0.00 C ATOM 88 C ASP A 6 1.288 4.964 4.154 1.00 0.00 C ATOM 89 O ASP A 6 0.656 5.670 4.915 1.00 0.00 O ATOM 90 CB ASP A 6 3.159 6.621 4.342 1.00 0.00 C ATOM 91 CG ASP A 6 4.665 6.407 4.492 1.00 0.00 C ATOM 92 OD1 ASP A 6 5.294 6.048 3.510 1.00 0.00 O ATOM 93 OD2 ASP A 6 5.166 6.604 5.588 1.00 0.00 O ATOM 0 H ASP A 6 1.219 6.323 2.091 1.00 0.00 H new ATOM 0 HA ASP A 6 3.316 4.702 3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.962 7.584 3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.684 6.643 5.323 1.00 0.00 H new ATOM 98 N PRO A 7 0.927 3.747 3.813 1.00 0.00 N ATOM 99 CA PRO A 7 -0.299 3.100 4.332 1.00 0.00 C ATOM 100 C PRO A 7 -0.107 2.598 5.772 1.00 0.00 C ATOM 101 O PRO A 7 -0.566 1.531 6.126 1.00 0.00 O ATOM 102 CB PRO A 7 -0.520 1.918 3.384 1.00 0.00 C ATOM 103 CG PRO A 7 0.841 1.622 2.738 1.00 0.00 C ATOM 104 CD PRO A 7 1.702 2.900 2.877 1.00 0.00 C ATOM 0 HA PRO A 7 -1.142 3.790 4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.890 1.048 3.927 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.265 2.161 2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.324 0.777 3.229 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.718 1.353 1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.693 2.674 3.269 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.845 3.393 1.915 1.00 0.00 H new ATOM 112 N SER A 8 0.560 3.349 6.606 1.00 0.00 N ATOM 113 CA SER A 8 0.763 2.899 8.011 1.00 0.00 C ATOM 114 C SER A 8 -0.488 3.211 8.835 1.00 0.00 C ATOM 115 O SER A 8 -0.581 2.860 9.994 1.00 0.00 O ATOM 116 CB SER A 8 1.965 3.632 8.611 1.00 0.00 C ATOM 117 OG SER A 8 1.753 3.830 10.001 1.00 0.00 O ATOM 0 H SER A 8 0.972 4.253 6.375 1.00 0.00 H new ATOM 0 HA SER A 8 0.947 1.825 8.025 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.875 3.054 8.450 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.105 4.592 8.113 1.00 0.00 H new ATOM 0 HG SER A 8 1.085 3.190 10.324 1.00 0.00 H new ATOM 123 N VAL A 9 -1.451 3.871 8.249 1.00 0.00 N ATOM 124 CA VAL A 9 -2.691 4.202 9.005 1.00 0.00 C ATOM 125 C VAL A 9 -3.814 3.245 8.598 1.00 0.00 C ATOM 126 O VAL A 9 -4.877 3.237 9.187 1.00 0.00 O ATOM 127 CB VAL A 9 -3.110 5.643 8.704 1.00 0.00 C ATOM 128 CG1 VAL A 9 -1.912 6.573 8.899 1.00 0.00 C ATOM 129 CG2 VAL A 9 -3.600 5.739 7.260 1.00 0.00 C ATOM 0 H VAL A 9 -1.432 4.194 7.282 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.498 4.099 10.073 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.912 5.938 9.380 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.210 7.599 8.685 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.562 6.504 9.929 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.109 6.279 8.222 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.899 6.765 7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.798 5.445 6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.454 5.076 7.121 1.00 0.00 H new ATOM 139 N LEU A 10 -3.589 2.434 7.600 1.00 0.00 N ATOM 140 CA LEU A 10 -4.645 1.479 7.167 1.00 0.00 C ATOM 141 C LEU A 10 -4.182 0.062 7.398 1.00 0.00 C ATOM 142 O LEU A 10 -3.130 -0.362 6.961 1.00 0.00 O ATOM 143 CB LEU A 10 -4.940 1.626 5.665 1.00 0.00 C ATOM 144 CG LEU A 10 -3.686 2.155 4.967 1.00 0.00 C ATOM 145 CD1 LEU A 10 -3.743 1.846 3.474 1.00 0.00 C ATOM 146 CD2 LEU A 10 -3.588 3.668 5.174 1.00 0.00 C ATOM 0 H LEU A 10 -2.720 2.393 7.067 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.542 1.699 7.746 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.231 0.665 5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.775 2.309 5.509 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.809 1.668 5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.845 2.228 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.804 0.768 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.621 2.322 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.695 4.046 4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.470 4.151 4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.530 3.886 6.240 1.00 0.00 H new ATOM 158 N THR A 11 -5.015 -0.666 8.039 1.00 0.00 N ATOM 159 CA THR A 11 -4.766 -2.098 8.295 1.00 0.00 C ATOM 160 C THR A 11 -4.286 -2.745 7.006 1.00 0.00 C ATOM 161 O THR A 11 -4.191 -2.110 5.975 1.00 0.00 O ATOM 162 CB THR A 11 -6.114 -2.712 8.632 1.00 0.00 C ATOM 163 OG1 THR A 11 -6.070 -4.121 8.456 1.00 0.00 O ATOM 164 CG2 THR A 11 -7.145 -2.097 7.671 1.00 0.00 C ATOM 0 H THR A 11 -5.898 -0.320 8.415 1.00 0.00 H new ATOM 0 HA THR A 11 -4.032 -2.237 9.088 1.00 0.00 H new ATOM 0 HB THR A 11 -6.379 -2.511 9.670 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.944 -4.506 8.678 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.131 -2.513 7.880 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.171 -1.016 7.808 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.866 -2.326 6.643 1.00 0.00 H new ATOM 172 N LYS A 12 -4.049 -4.014 7.030 1.00 0.00 N ATOM 173 CA LYS A 12 -3.648 -4.693 5.776 1.00 0.00 C ATOM 174 C LYS A 12 -4.925 -4.960 4.957 1.00 0.00 C ATOM 175 O LYS A 12 -4.891 -5.579 3.912 1.00 0.00 O ATOM 176 CB LYS A 12 -2.962 -6.021 6.098 1.00 0.00 C ATOM 177 CG LYS A 12 -1.487 -5.972 5.669 1.00 0.00 C ATOM 178 CD LYS A 12 -0.659 -5.238 6.732 1.00 0.00 C ATOM 179 CE LYS A 12 -0.725 -5.979 8.072 1.00 0.00 C ATOM 180 NZ LYS A 12 -0.759 -4.988 9.184 1.00 0.00 N ATOM 0 H LYS A 12 -4.114 -4.611 7.855 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.952 -4.069 5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.031 -6.225 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.471 -6.836 5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.105 -6.984 5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.395 -5.464 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.377 -5.160 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.032 -4.221 6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.612 -6.612 8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.139 -6.635 8.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.804 -5.489 10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.100 -4.402 9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.597 -4.380 9.082 1.00 0.00 H new ATOM 194 N ASP A 13 -6.061 -4.521 5.458 1.00 0.00 N ATOM 195 CA ASP A 13 -7.360 -4.766 4.757 1.00 0.00 C ATOM 196 C ASP A 13 -7.822 -3.549 3.941 1.00 0.00 C ATOM 197 O ASP A 13 -8.650 -3.683 3.061 1.00 0.00 O ATOM 198 CB ASP A 13 -8.430 -5.094 5.803 1.00 0.00 C ATOM 199 CG ASP A 13 -9.318 -6.227 5.285 1.00 0.00 C ATOM 200 OD1 ASP A 13 -8.816 -7.054 4.540 1.00 0.00 O ATOM 201 OD2 ASP A 13 -10.483 -6.250 5.642 1.00 0.00 O ATOM 0 H ASP A 13 -6.140 -3.999 6.331 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.214 -5.595 4.064 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.959 -5.387 6.741 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.034 -4.210 6.011 1.00 0.00 H new ATOM 206 N LYS A 14 -7.322 -2.371 4.198 1.00 0.00 N ATOM 207 CA LYS A 14 -7.778 -1.203 3.402 1.00 0.00 C ATOM 208 C LYS A 14 -6.833 -1.029 2.225 1.00 0.00 C ATOM 209 O LYS A 14 -7.239 -1.037 1.080 1.00 0.00 O ATOM 210 CB LYS A 14 -7.736 0.032 4.281 1.00 0.00 C ATOM 211 CG LYS A 14 -8.514 1.200 3.661 1.00 0.00 C ATOM 212 CD LYS A 14 -8.091 1.436 2.205 1.00 0.00 C ATOM 213 CE LYS A 14 -6.597 1.714 2.157 1.00 0.00 C ATOM 214 NZ LYS A 14 -6.400 3.183 2.347 1.00 0.00 N ATOM 0 H LYS A 14 -6.626 -2.171 4.916 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.795 -1.354 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.154 -0.204 5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.700 0.330 4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.583 0.992 3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.343 2.105 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.330 0.563 1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.643 2.277 1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.079 1.155 2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.179 1.393 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.858 3.567 1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.326 3.654 2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.879 3.352 3.231 1.00 0.00 H new ATOM 228 N LEU A 15 -5.571 -0.854 2.513 1.00 0.00 N ATOM 229 CA LEU A 15 -4.561 -0.658 1.429 1.00 0.00 C ATOM 230 C LEU A 15 -4.905 -1.542 0.241 1.00 0.00 C ATOM 231 O LEU A 15 -4.546 -1.245 -0.873 1.00 0.00 O ATOM 232 CB LEU A 15 -3.145 -1.015 1.907 1.00 0.00 C ATOM 233 CG LEU A 15 -3.178 -1.620 3.305 1.00 0.00 C ATOM 234 CD1 LEU A 15 -4.061 -2.862 3.316 1.00 0.00 C ATOM 235 CD2 LEU A 15 -1.766 -2.027 3.691 1.00 0.00 C ATOM 0 H LEU A 15 -5.192 -0.838 3.460 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.583 0.394 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.690 -1.721 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.521 -0.121 1.908 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.575 -0.887 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.078 -3.287 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.074 -2.591 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.663 -3.598 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.773 -2.462 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.391 -2.761 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.119 -1.150 3.682 1.00 0.00 H new ATOM 247 N LYS A 16 -5.598 -2.622 0.459 1.00 0.00 N ATOM 248 CA LYS A 16 -5.957 -3.492 -0.660 1.00 0.00 C ATOM 249 C LYS A 16 -7.174 -2.908 -1.361 1.00 0.00 C ATOM 250 O LYS A 16 -7.169 -2.687 -2.557 1.00 0.00 O ATOM 251 CB LYS A 16 -6.282 -4.876 -0.118 1.00 0.00 C ATOM 252 CG LYS A 16 -5.375 -5.237 1.040 1.00 0.00 C ATOM 253 CD LYS A 16 -5.670 -6.683 1.412 1.00 0.00 C ATOM 254 CE LYS A 16 -6.968 -6.753 2.200 1.00 0.00 C ATOM 255 NZ LYS A 16 -7.891 -7.728 1.555 1.00 0.00 N ATOM 0 H LYS A 16 -5.927 -2.930 1.374 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.133 -3.566 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.322 -4.907 0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.174 -5.615 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.328 -5.118 0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.555 -4.577 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.746 -7.292 0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.851 -7.091 2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.766 -7.054 3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.434 -5.768 2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.874 -7.478 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.757 -7.703 0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.686 -8.685 1.907 1.00 0.00 H new ATOM 269 N SER A 17 -8.211 -2.629 -0.621 1.00 0.00 N ATOM 270 CA SER A 17 -9.423 -2.024 -1.241 1.00 0.00 C ATOM 271 C SER A 17 -8.966 -0.914 -2.181 1.00 0.00 C ATOM 272 O SER A 17 -9.614 -0.589 -3.156 1.00 0.00 O ATOM 273 CB SER A 17 -10.317 -1.433 -0.156 1.00 0.00 C ATOM 274 OG SER A 17 -11.468 -2.247 0.007 1.00 0.00 O ATOM 0 H SER A 17 -8.272 -2.793 0.384 1.00 0.00 H new ATOM 0 HA SER A 17 -9.986 -2.781 -1.787 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.770 -1.367 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.611 -0.419 -0.426 1.00 0.00 H new ATOM 0 HG SER A 17 -12.041 -1.867 0.706 1.00 0.00 H new ATOM 280 N GLU A 18 -7.833 -0.342 -1.883 1.00 0.00 N ATOM 281 CA GLU A 18 -7.279 0.742 -2.726 1.00 0.00 C ATOM 282 C GLU A 18 -6.507 0.117 -3.893 1.00 0.00 C ATOM 283 O GLU A 18 -6.844 0.322 -5.039 1.00 0.00 O ATOM 284 CB GLU A 18 -6.344 1.586 -1.853 1.00 0.00 C ATOM 285 CG GLU A 18 -7.186 2.342 -0.807 1.00 0.00 C ATOM 286 CD GLU A 18 -7.967 3.464 -1.494 1.00 0.00 C ATOM 287 OE1 GLU A 18 -7.334 4.361 -2.024 1.00 0.00 O ATOM 288 OE2 GLU A 18 -9.186 3.408 -1.477 1.00 0.00 O ATOM 0 H GLU A 18 -7.261 -0.588 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.071 1.373 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.612 0.948 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.787 2.291 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.874 1.655 -0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.539 2.756 -0.034 1.00 0.00 H new ATOM 295 N LEU A 19 -5.467 -0.631 -3.609 1.00 0.00 N ATOM 296 CA LEU A 19 -4.663 -1.270 -4.692 1.00 0.00 C ATOM 297 C LEU A 19 -5.566 -1.684 -5.854 1.00 0.00 C ATOM 298 O LEU A 19 -5.192 -1.593 -7.006 1.00 0.00 O ATOM 299 CB LEU A 19 -3.958 -2.499 -4.125 1.00 0.00 C ATOM 300 CG LEU A 19 -2.648 -2.072 -3.484 1.00 0.00 C ATOM 301 CD1 LEU A 19 -2.494 -2.771 -2.139 1.00 0.00 C ATOM 302 CD2 LEU A 19 -1.530 -2.521 -4.395 1.00 0.00 C ATOM 0 H LEU A 19 -5.140 -0.826 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.928 -0.556 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.594 -2.990 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.770 -3.223 -4.918 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.626 -0.992 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.555 -2.467 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.325 -2.496 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.492 -3.851 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.571 -2.230 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.564 -3.605 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.646 -2.052 -5.372 1.00 0.00 H new ATOM 314 N VAL A 20 -6.758 -2.126 -5.565 1.00 0.00 N ATOM 315 CA VAL A 20 -7.683 -2.528 -6.660 1.00 0.00 C ATOM 316 C VAL A 20 -7.953 -1.312 -7.553 1.00 0.00 C ATOM 317 O VAL A 20 -7.743 -1.347 -8.749 1.00 0.00 O ATOM 318 CB VAL A 20 -8.998 -3.033 -6.054 1.00 0.00 C ATOM 319 CG1 VAL A 20 -10.086 -3.067 -7.131 1.00 0.00 C ATOM 320 CG2 VAL A 20 -8.792 -4.444 -5.497 1.00 0.00 C ATOM 0 H VAL A 20 -7.131 -2.226 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.236 -3.324 -7.255 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.305 -2.362 -5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.018 -3.427 -6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.235 -2.063 -7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.780 -3.735 -7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.726 -4.805 -5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.482 -5.111 -6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.021 -4.422 -4.727 1.00 0.00 H new ATOM 330 N ALA A 21 -8.413 -0.238 -6.974 1.00 0.00 N ATOM 331 CA ALA A 21 -8.698 0.990 -7.772 1.00 0.00 C ATOM 332 C ALA A 21 -7.426 1.467 -8.482 1.00 0.00 C ATOM 333 O ALA A 21 -7.450 1.846 -9.636 1.00 0.00 O ATOM 334 CB ALA A 21 -9.182 2.092 -6.826 1.00 0.00 C ATOM 0 H ALA A 21 -8.605 -0.157 -5.976 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.460 0.765 -8.518 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.394 2.995 -7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.089 1.763 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.409 2.303 -6.087 1.00 0.00 H new ATOM 340 N ASN A 22 -6.323 1.481 -7.786 1.00 0.00 N ATOM 341 CA ASN A 22 -5.045 1.962 -8.374 1.00 0.00 C ATOM 342 C ASN A 22 -4.412 0.917 -9.314 1.00 0.00 C ATOM 343 O ASN A 22 -3.219 0.917 -9.537 1.00 0.00 O ATOM 344 CB ASN A 22 -4.077 2.321 -7.221 1.00 0.00 C ATOM 345 CG ASN A 22 -4.894 2.751 -5.989 1.00 0.00 C ATOM 346 OD1 ASN A 22 -5.421 3.845 -5.957 1.00 0.00 O ATOM 347 ND2 ASN A 22 -5.026 1.947 -4.972 1.00 0.00 N ATOM 0 H ASN A 22 -6.254 1.173 -6.816 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.247 2.844 -8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.451 1.463 -6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.409 3.126 -7.528 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.568 2.238 -4.159 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.587 1.026 -4.989 1.00 0.00 H new ATOM 354 N ASN A 23 -5.207 0.061 -9.903 1.00 0.00 N ATOM 355 CA ASN A 23 -4.668 -0.943 -10.873 1.00 0.00 C ATOM 356 C ASN A 23 -3.750 -1.968 -10.199 1.00 0.00 C ATOM 357 O ASN A 23 -2.554 -1.976 -10.414 1.00 0.00 O ATOM 358 CB ASN A 23 -3.885 -0.212 -11.965 1.00 0.00 C ATOM 359 CG ASN A 23 -3.403 -1.220 -13.009 1.00 0.00 C ATOM 360 OD1 ASN A 23 -4.173 -2.028 -13.491 1.00 0.00 O ATOM 361 ND2 ASN A 23 -2.153 -1.209 -13.382 1.00 0.00 N ATOM 0 H ASN A 23 -6.215 0.013 -9.753 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.515 -1.484 -11.295 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.515 0.542 -12.436 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.034 0.311 -11.529 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.822 -1.878 -14.077 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.506 -0.531 -12.978 1.00 0.00 H new ATOM 368 N VAL A 24 -4.300 -2.853 -9.417 1.00 0.00 N ATOM 369 CA VAL A 24 -3.467 -3.900 -8.764 1.00 0.00 C ATOM 370 C VAL A 24 -4.376 -5.066 -8.375 1.00 0.00 C ATOM 371 O VAL A 24 -5.337 -4.894 -7.653 1.00 0.00 O ATOM 372 CB VAL A 24 -2.804 -3.330 -7.516 1.00 0.00 C ATOM 373 CG1 VAL A 24 -1.777 -4.339 -6.988 1.00 0.00 C ATOM 374 CG2 VAL A 24 -2.100 -2.017 -7.863 1.00 0.00 C ATOM 0 H VAL A 24 -5.296 -2.897 -9.201 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.691 -4.240 -9.450 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.559 -3.141 -6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.299 -3.938 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.279 -5.274 -6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.022 -4.523 -7.752 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.626 -1.611 -6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.341 -2.201 -8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.830 -1.302 -8.244 1.00 0.00 H new ATOM 384 N THR A 25 -4.097 -6.251 -8.851 1.00 0.00 N ATOM 385 CA THR A 25 -4.967 -7.399 -8.503 1.00 0.00 C ATOM 386 C THR A 25 -4.770 -7.770 -7.038 1.00 0.00 C ATOM 387 O THR A 25 -3.767 -7.454 -6.428 1.00 0.00 O ATOM 388 CB THR A 25 -4.620 -8.601 -9.367 1.00 0.00 C ATOM 389 OG1 THR A 25 -3.418 -8.352 -10.082 1.00 0.00 O ATOM 390 CG2 THR A 25 -5.759 -8.877 -10.350 1.00 0.00 C ATOM 0 H THR A 25 -3.309 -6.467 -9.461 1.00 0.00 H new ATOM 0 HA THR A 25 -6.005 -7.114 -8.677 1.00 0.00 H new ATOM 0 HB THR A 25 -4.480 -9.472 -8.727 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.610 -7.784 -10.857 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.506 -9.739 -10.967 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.675 -9.083 -9.797 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.908 -8.006 -10.988 1.00 0.00 H new ATOM 398 N LEU A 26 -5.732 -8.437 -6.473 1.00 0.00 N ATOM 399 CA LEU A 26 -5.641 -8.844 -5.041 1.00 0.00 C ATOM 400 C LEU A 26 -5.593 -10.378 -4.980 1.00 0.00 C ATOM 401 O LEU A 26 -6.526 -11.034 -5.399 1.00 0.00 O ATOM 402 CB LEU A 26 -6.889 -8.362 -4.280 1.00 0.00 C ATOM 403 CG LEU A 26 -7.111 -6.842 -4.367 1.00 0.00 C ATOM 404 CD1 LEU A 26 -7.072 -6.216 -2.974 1.00 0.00 C ATOM 405 CD2 LEU A 26 -6.082 -6.141 -5.248 1.00 0.00 C ATOM 0 H LEU A 26 -6.590 -8.723 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.750 -8.407 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.767 -8.873 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.799 -8.649 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.092 -6.704 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.231 -5.141 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.856 -6.654 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.101 -6.406 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.291 -5.071 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.083 -6.308 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.136 -6.542 -6.260 1.00 0.00 H new ATOM 417 N PRO A 27 -4.512 -10.912 -4.472 1.00 0.00 N ATOM 418 CA PRO A 27 -4.332 -12.368 -4.362 1.00 0.00 C ATOM 419 C PRO A 27 -5.127 -12.926 -3.176 1.00 0.00 C ATOM 420 O PRO A 27 -6.281 -13.282 -3.306 1.00 0.00 O ATOM 421 CB PRO A 27 -2.825 -12.528 -4.144 1.00 0.00 C ATOM 422 CG PRO A 27 -2.315 -11.177 -3.593 1.00 0.00 C ATOM 423 CD PRO A 27 -3.375 -10.124 -3.959 1.00 0.00 C ATOM 0 HA PRO A 27 -4.689 -12.910 -5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.618 -13.336 -3.442 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.323 -12.781 -5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.175 -11.227 -2.513 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.349 -10.921 -4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.662 -9.531 -3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.002 -9.429 -4.711 1.00 0.00 H new ATOM 431 N ALA A 28 -4.522 -13.013 -2.022 1.00 0.00 N ATOM 432 CA ALA A 28 -5.250 -13.554 -0.839 1.00 0.00 C ATOM 433 C ALA A 28 -6.472 -12.679 -0.548 1.00 0.00 C ATOM 434 O ALA A 28 -6.770 -11.750 -1.273 1.00 0.00 O ATOM 435 CB ALA A 28 -4.321 -13.558 0.376 1.00 0.00 C ATOM 0 H ALA A 28 -3.557 -12.733 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.575 -14.573 -1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.854 -13.954 1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.453 -14.183 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.993 -12.540 0.587 1.00 0.00 H new ATOM 441 N GLY A 29 -7.182 -12.965 0.510 1.00 0.00 N ATOM 442 CA GLY A 29 -8.384 -12.143 0.845 1.00 0.00 C ATOM 443 C GLY A 29 -8.129 -11.369 2.139 1.00 0.00 C ATOM 444 O GLY A 29 -8.168 -10.156 2.165 1.00 0.00 O ATOM 0 H GLY A 29 -6.984 -13.729 1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.602 -11.451 0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.257 -12.786 0.959 1.00 0.00 H new ATOM 448 N GLU A 30 -7.862 -12.059 3.215 1.00 0.00 N ATOM 449 CA GLU A 30 -7.601 -11.355 4.502 1.00 0.00 C ATOM 450 C GLU A 30 -6.256 -10.629 4.415 1.00 0.00 C ATOM 451 O GLU A 30 -6.196 -9.436 4.190 1.00 0.00 O ATOM 452 CB GLU A 30 -7.562 -12.374 5.642 1.00 0.00 C ATOM 453 CG GLU A 30 -8.671 -12.061 6.646 1.00 0.00 C ATOM 454 CD GLU A 30 -8.197 -12.410 8.058 1.00 0.00 C ATOM 455 OE1 GLU A 30 -7.627 -13.476 8.223 1.00 0.00 O ATOM 456 OE2 GLU A 30 -8.411 -11.605 8.949 1.00 0.00 O ATOM 0 H GLU A 30 -7.814 -13.077 3.258 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.394 -10.632 4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.689 -13.382 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.591 -12.345 6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.938 -11.006 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.568 -12.630 6.402 1.00 0.00 H new ATOM 463 N GLN A 31 -5.176 -11.343 4.578 1.00 0.00 N ATOM 464 CA GLN A 31 -3.836 -10.704 4.490 1.00 0.00 C ATOM 465 C GLN A 31 -2.758 -11.756 4.736 1.00 0.00 C ATOM 466 O GLN A 31 -2.316 -11.954 5.849 1.00 0.00 O ATOM 467 CB GLN A 31 -3.707 -9.593 5.532 1.00 0.00 C ATOM 468 CG GLN A 31 -2.305 -8.993 5.503 1.00 0.00 C ATOM 469 CD GLN A 31 -1.982 -8.519 6.926 1.00 0.00 C ATOM 470 OE1 GLN A 31 -0.835 -8.378 7.288 1.00 0.00 O ATOM 471 NE2 GLN A 31 -2.956 -8.278 7.764 1.00 0.00 N ATOM 0 H GLN A 31 -5.166 -12.345 4.769 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.714 -10.272 3.497 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.446 -8.816 5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.918 -9.991 6.525 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.577 -9.733 5.170 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.258 -8.161 4.801 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.925 -8.394 7.467 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.747 -7.974 8.715 1.00 0.00 H new ATOM 480 N ARG A 32 -2.338 -12.415 3.693 1.00 0.00 N ATOM 481 CA ARG A 32 -1.292 -13.446 3.783 1.00 0.00 C ATOM 482 C ARG A 32 -0.320 -13.138 4.930 1.00 0.00 C ATOM 483 O ARG A 32 -0.203 -13.888 5.878 1.00 0.00 O ATOM 484 CB ARG A 32 -0.569 -13.400 2.442 1.00 0.00 C ATOM 485 CG ARG A 32 -0.434 -14.794 1.859 1.00 0.00 C ATOM 486 CD ARG A 32 0.588 -14.774 0.716 1.00 0.00 C ATOM 487 NE ARG A 32 -0.055 -14.225 -0.510 1.00 0.00 N ATOM 488 CZ ARG A 32 -0.764 -15.004 -1.281 1.00 0.00 C ATOM 489 NH1 ARG A 32 -1.086 -16.203 -0.880 1.00 0.00 N ATOM 490 NH2 ARG A 32 -1.152 -14.582 -2.452 1.00 0.00 N ATOM 0 H ARG A 32 -2.697 -12.268 2.750 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.712 -14.431 3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.117 -12.762 1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.418 -12.957 2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.117 -15.494 2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.400 -15.141 1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.449 -14.165 0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.958 -15.781 0.526 1.00 0.00 H new ATOM 0 HE ARG A 32 0.059 -13.240 -0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.784 -16.532 0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.640 -16.811 -1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.901 -13.644 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.706 -15.190 -3.055 1.00 0.00 H new ATOM 504 N LYS A 33 0.370 -12.037 4.848 1.00 0.00 N ATOM 505 CA LYS A 33 1.328 -11.662 5.922 1.00 0.00 C ATOM 506 C LYS A 33 1.986 -10.341 5.529 1.00 0.00 C ATOM 507 O LYS A 33 3.119 -10.309 5.091 1.00 0.00 O ATOM 508 CB LYS A 33 2.397 -12.748 6.061 1.00 0.00 C ATOM 509 CG LYS A 33 2.426 -13.250 7.507 1.00 0.00 C ATOM 510 CD LYS A 33 3.136 -12.221 8.389 1.00 0.00 C ATOM 511 CE LYS A 33 2.551 -12.271 9.802 1.00 0.00 C ATOM 512 NZ LYS A 33 1.630 -11.117 9.999 1.00 0.00 N ATOM 0 H LYS A 33 0.310 -11.374 4.075 1.00 0.00 H new ATOM 0 HA LYS A 33 0.808 -11.558 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.183 -13.573 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.373 -12.351 5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.410 -13.414 7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.942 -14.209 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.206 -12.428 8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.016 -11.222 7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.015 -13.208 9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.352 -12.241 10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.232 -11.150 10.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.155 -10.228 9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.859 -11.165 9.303 1.00 0.00 H new ATOM 526 N ASP A 34 1.281 -9.251 5.657 1.00 0.00 N ATOM 527 CA ASP A 34 1.879 -7.944 5.257 1.00 0.00 C ATOM 528 C ASP A 34 1.991 -7.902 3.731 1.00 0.00 C ATOM 529 O ASP A 34 2.601 -7.021 3.173 1.00 0.00 O ATOM 530 CB ASP A 34 3.276 -7.818 5.876 1.00 0.00 C ATOM 531 CG ASP A 34 3.393 -6.479 6.608 1.00 0.00 C ATOM 532 OD1 ASP A 34 3.702 -5.496 5.956 1.00 0.00 O ATOM 533 OD2 ASP A 34 3.169 -6.460 7.807 1.00 0.00 O ATOM 0 H ASP A 34 0.328 -9.207 6.017 1.00 0.00 H new ATOM 0 HA ASP A 34 1.253 -7.122 5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.453 -8.640 6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.037 -7.887 5.099 1.00 0.00 H new ATOM 538 N VAL A 35 1.419 -8.865 3.057 1.00 0.00 N ATOM 539 CA VAL A 35 1.487 -8.912 1.575 1.00 0.00 C ATOM 540 C VAL A 35 0.906 -7.651 0.950 1.00 0.00 C ATOM 541 O VAL A 35 1.329 -7.246 -0.099 1.00 0.00 O ATOM 542 CB VAL A 35 0.654 -10.098 1.083 1.00 0.00 C ATOM 543 CG1 VAL A 35 -0.603 -10.207 1.923 1.00 0.00 C ATOM 544 CG2 VAL A 35 0.227 -9.882 -0.372 1.00 0.00 C ATOM 0 H VAL A 35 0.899 -9.632 3.483 1.00 0.00 H new ATOM 0 HA VAL A 35 2.534 -9.004 1.288 1.00 0.00 H new ATOM 0 HB VAL A 35 1.258 -11.002 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.200 -11.051 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.331 -10.360 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.183 -9.289 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.365 -10.734 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.371 -8.974 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.112 -9.785 -1.000 1.00 0.00 H new ATOM 554 N TYR A 36 -0.103 -7.080 1.527 1.00 0.00 N ATOM 555 CA TYR A 36 -0.724 -5.904 0.900 1.00 0.00 C ATOM 556 C TYR A 36 0.038 -4.645 1.251 1.00 0.00 C ATOM 557 O TYR A 36 0.039 -3.680 0.516 1.00 0.00 O ATOM 558 CB TYR A 36 -2.135 -5.829 1.402 1.00 0.00 C ATOM 559 CG TYR A 36 -2.861 -7.018 0.857 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.484 -6.942 -0.387 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.908 -8.197 1.599 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.164 -8.047 -0.895 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.587 -9.306 1.095 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.219 -9.235 -0.153 1.00 0.00 C ATOM 565 OH TYR A 36 -4.892 -10.332 -0.652 1.00 0.00 O ATOM 0 H TYR A 36 -0.522 -7.380 2.407 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.708 -5.994 -0.186 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.156 -5.831 2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.611 -4.904 1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.440 -6.026 -0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.420 -8.252 2.561 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.648 -7.988 -1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.626 -10.221 1.668 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.853 -10.141 -0.681 1.00 0.00 H new ATOM 575 N VAL A 37 0.700 -4.650 2.359 1.00 0.00 N ATOM 576 CA VAL A 37 1.475 -3.458 2.737 1.00 0.00 C ATOM 577 C VAL A 37 2.798 -3.499 1.948 1.00 0.00 C ATOM 578 O VAL A 37 3.358 -2.489 1.556 1.00 0.00 O ATOM 579 CB VAL A 37 1.724 -3.504 4.246 1.00 0.00 C ATOM 580 CG1 VAL A 37 2.828 -2.511 4.618 1.00 0.00 C ATOM 581 CG2 VAL A 37 0.427 -3.134 4.978 1.00 0.00 C ATOM 0 H VAL A 37 0.738 -5.427 3.018 1.00 0.00 H new ATOM 0 HA VAL A 37 0.947 -2.533 2.505 1.00 0.00 H new ATOM 0 HB VAL A 37 2.037 -4.507 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.002 -2.547 5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.746 -2.774 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.523 -1.504 4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.595 -3.164 6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.119 -2.130 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.356 -3.845 4.713 1.00 0.00 H new ATOM 591 N GLN A 38 3.266 -4.682 1.665 1.00 0.00 N ATOM 592 CA GLN A 38 4.503 -4.844 0.865 1.00 0.00 C ATOM 593 C GLN A 38 4.104 -4.689 -0.597 1.00 0.00 C ATOM 594 O GLN A 38 4.719 -3.979 -1.364 1.00 0.00 O ATOM 595 CB GLN A 38 5.058 -6.252 1.102 1.00 0.00 C ATOM 596 CG GLN A 38 6.215 -6.513 0.143 1.00 0.00 C ATOM 597 CD GLN A 38 7.532 -6.134 0.819 1.00 0.00 C ATOM 598 OE1 GLN A 38 8.346 -5.438 0.246 1.00 0.00 O ATOM 599 NE2 GLN A 38 7.776 -6.567 2.025 1.00 0.00 N ATOM 0 H GLN A 38 2.833 -5.557 1.961 1.00 0.00 H new ATOM 0 HA GLN A 38 5.262 -4.112 1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.397 -6.351 2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.273 -6.993 0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.232 -7.564 -0.146 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.082 -5.933 -0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.092 -7.151 2.505 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.651 -6.321 2.488 1.00 0.00 H new ATOM 608 N LEU A 39 3.043 -5.350 -0.958 1.00 0.00 N ATOM 609 CA LEU A 39 2.515 -5.263 -2.362 1.00 0.00 C ATOM 610 C LEU A 39 2.402 -3.787 -2.716 1.00 0.00 C ATOM 611 O LEU A 39 2.888 -3.335 -3.732 1.00 0.00 O ATOM 612 CB LEU A 39 1.119 -5.922 -2.457 1.00 0.00 C ATOM 613 CG LEU A 39 1.246 -7.326 -3.025 1.00 0.00 C ATOM 614 CD1 LEU A 39 -0.051 -8.093 -2.764 1.00 0.00 C ATOM 615 CD2 LEU A 39 1.466 -7.217 -4.530 1.00 0.00 C ATOM 0 H LEU A 39 2.506 -5.957 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 39 3.184 -5.783 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.658 -5.960 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.466 -5.322 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 39 2.080 -7.849 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.035 -9.101 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.232 -8.148 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.882 -7.577 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.560 -8.215 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.618 -6.706 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.378 -6.652 -4.724 1.00 0.00 H new ATOM 627 N TYR A 40 1.773 -3.030 -1.865 1.00 0.00 N ATOM 628 CA TYR A 40 1.628 -1.586 -2.110 1.00 0.00 C ATOM 629 C TYR A 40 3.007 -0.974 -2.388 1.00 0.00 C ATOM 630 O TYR A 40 3.231 -0.384 -3.418 1.00 0.00 O ATOM 631 CB TYR A 40 0.982 -0.968 -0.856 1.00 0.00 C ATOM 632 CG TYR A 40 1.859 0.119 -0.263 1.00 0.00 C ATOM 633 CD1 TYR A 40 2.153 1.273 -0.998 1.00 0.00 C ATOM 634 CD2 TYR A 40 2.373 -0.034 1.027 1.00 0.00 C ATOM 635 CE1 TYR A 40 2.949 2.273 -0.441 1.00 0.00 C ATOM 636 CE2 TYR A 40 3.177 0.966 1.581 1.00 0.00 C ATOM 637 CZ TYR A 40 3.458 2.122 0.846 1.00 0.00 C ATOM 638 OH TYR A 40 4.237 3.116 1.399 1.00 0.00 O ATOM 0 H TYR A 40 1.349 -3.363 -0.999 1.00 0.00 H new ATOM 0 HA TYR A 40 1.000 -1.389 -2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.008 -0.552 -1.113 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.810 -1.746 -0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.763 1.389 -1.998 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.149 -0.924 1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.171 3.165 -1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.581 0.846 2.575 1.00 0.00 H new ATOM 0 HH TYR A 40 3.897 3.992 1.119 1.00 0.00 H new ATOM 648 N LEU A 41 3.929 -1.081 -1.469 1.00 0.00 N ATOM 649 CA LEU A 41 5.257 -0.460 -1.714 1.00 0.00 C ATOM 650 C LEU A 41 5.921 -1.104 -2.946 1.00 0.00 C ATOM 651 O LEU A 41 6.872 -0.588 -3.487 1.00 0.00 O ATOM 652 CB LEU A 41 6.142 -0.659 -0.473 1.00 0.00 C ATOM 653 CG LEU A 41 6.975 0.604 -0.194 1.00 0.00 C ATOM 654 CD1 LEU A 41 6.121 1.658 0.528 1.00 0.00 C ATOM 655 CD2 LEU A 41 8.167 0.232 0.690 1.00 0.00 C ATOM 0 H LEU A 41 3.822 -1.563 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 41 5.132 0.606 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.519 -0.889 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.804 -1.512 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 41 7.323 1.017 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.724 2.546 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.268 1.925 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.764 1.251 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.762 1.123 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.806 -0.184 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.783 -0.508 0.178 1.00 0.00 H new ATOM 667 N GLN A 42 5.436 -2.231 -3.392 1.00 0.00 N ATOM 668 CA GLN A 42 6.067 -2.895 -4.576 1.00 0.00 C ATOM 669 C GLN A 42 5.616 -2.239 -5.892 1.00 0.00 C ATOM 670 O GLN A 42 6.416 -1.677 -6.615 1.00 0.00 O ATOM 671 CB GLN A 42 5.694 -4.378 -4.582 1.00 0.00 C ATOM 672 CG GLN A 42 6.891 -5.201 -5.066 1.00 0.00 C ATOM 673 CD GLN A 42 8.000 -5.154 -4.014 1.00 0.00 C ATOM 674 OE1 GLN A 42 7.996 -5.925 -3.075 1.00 0.00 O ATOM 675 NE2 GLN A 42 8.957 -4.274 -4.131 1.00 0.00 N ATOM 0 H GLN A 42 4.635 -2.721 -2.993 1.00 0.00 H new ATOM 0 HA GLN A 42 7.148 -2.783 -4.499 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.402 -4.695 -3.581 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.836 -4.546 -5.233 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.588 -6.233 -5.245 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.257 -4.807 -6.014 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.961 -3.626 -4.919 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.701 -4.234 -3.434 1.00 0.00 H new ATOM 684 N HIS A 43 4.353 -2.311 -6.217 1.00 0.00 N ATOM 685 CA HIS A 43 3.867 -1.697 -7.493 1.00 0.00 C ATOM 686 C HIS A 43 3.650 -0.215 -7.289 1.00 0.00 C ATOM 687 O HIS A 43 3.857 0.592 -8.173 1.00 0.00 O ATOM 688 CB HIS A 43 2.519 -2.300 -7.871 1.00 0.00 C ATOM 689 CG HIS A 43 2.511 -3.749 -7.521 1.00 0.00 C ATOM 690 ND1 HIS A 43 2.850 -4.739 -8.429 1.00 0.00 N ATOM 691 CD2 HIS A 43 2.206 -4.388 -6.357 1.00 0.00 C ATOM 692 CE1 HIS A 43 2.743 -5.918 -7.792 1.00 0.00 C ATOM 693 NE2 HIS A 43 2.353 -5.761 -6.525 1.00 0.00 N ATOM 0 H HIS A 43 3.634 -2.768 -5.656 1.00 0.00 H new ATOM 0 HA HIS A 43 4.607 -1.881 -8.271 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.716 -1.783 -7.345 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.336 -2.171 -8.938 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.129 -4.599 -9.400 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.897 -3.902 -5.443 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.947 -6.875 -8.249 1.00 0.00 H new ATOM 701 N LEU A 44 3.208 0.140 -6.130 1.00 0.00 N ATOM 702 CA LEU A 44 2.940 1.564 -5.853 1.00 0.00 C ATOM 703 C LEU A 44 4.220 2.229 -5.322 1.00 0.00 C ATOM 704 O LEU A 44 4.385 3.428 -5.429 1.00 0.00 O ATOM 705 CB LEU A 44 1.799 1.681 -4.833 1.00 0.00 C ATOM 706 CG LEU A 44 0.492 0.957 -5.292 1.00 0.00 C ATOM 707 CD1 LEU A 44 -0.668 1.879 -5.010 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.450 0.685 -6.797 1.00 0.00 C ATOM 0 H LEU A 44 3.019 -0.498 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 44 2.638 2.072 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.125 1.261 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.582 2.735 -4.659 1.00 0.00 H new ATOM 0 HG LEU A 44 0.450 0.007 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.597 1.401 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.710 2.095 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.536 2.809 -5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.483 0.181 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.511 1.629 -7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.292 0.051 -7.076 1.00 0.00 H new ATOM 720 N THR A 45 5.150 1.470 -4.788 1.00 0.00 N ATOM 721 CA THR A 45 6.421 2.082 -4.305 1.00 0.00 C ATOM 722 C THR A 45 6.164 3.366 -3.532 1.00 0.00 C ATOM 723 O THR A 45 7.033 4.209 -3.429 1.00 0.00 O ATOM 724 CB THR A 45 7.280 2.417 -5.518 1.00 0.00 C ATOM 725 OG1 THR A 45 6.489 2.312 -6.695 1.00 0.00 O ATOM 726 CG2 THR A 45 8.445 1.435 -5.597 1.00 0.00 C ATOM 0 H THR A 45 5.080 0.459 -4.668 1.00 0.00 H new ATOM 0 HA THR A 45 6.917 1.373 -3.642 1.00 0.00 H new ATOM 0 HB THR A 45 7.666 3.432 -5.428 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.037 2.528 -7.478 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.062 1.671 -6.464 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.047 1.511 -4.691 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.059 0.420 -5.692 1.00 0.00 H new ATOM 734 N ALA A 46 4.992 3.549 -3.001 1.00 0.00 N ATOM 735 CA ALA A 46 4.723 4.805 -2.267 1.00 0.00 C ATOM 736 C ALA A 46 5.215 5.959 -3.136 1.00 0.00 C ATOM 737 O ALA A 46 6.042 6.751 -2.734 1.00 0.00 O ATOM 738 CB ALA A 46 5.468 4.826 -0.933 1.00 0.00 C ATOM 0 H ALA A 46 4.216 2.888 -3.044 1.00 0.00 H new ATOM 0 HA ALA A 46 3.656 4.890 -2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.255 5.759 -0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.142 3.985 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.540 4.748 -1.114 1.00 0.00 H new ATOM 744 N ARG A 47 4.698 6.013 -4.327 1.00 0.00 N ATOM 745 CA ARG A 47 5.059 7.055 -5.336 1.00 0.00 C ATOM 746 C ARG A 47 5.871 8.208 -4.716 1.00 0.00 C ATOM 747 O ARG A 47 7.084 8.209 -4.788 1.00 0.00 O ATOM 748 CB ARG A 47 3.737 7.614 -5.896 1.00 0.00 C ATOM 749 CG ARG A 47 2.534 6.979 -5.168 1.00 0.00 C ATOM 750 CD ARG A 47 2.126 5.658 -5.846 1.00 0.00 C ATOM 751 NE ARG A 47 2.984 5.385 -7.032 1.00 0.00 N ATOM 752 CZ ARG A 47 2.460 4.883 -8.117 1.00 0.00 C ATOM 753 NH1 ARG A 47 1.311 5.325 -8.551 1.00 0.00 N ATOM 754 NH2 ARG A 47 3.084 3.938 -8.765 1.00 0.00 N ATOM 0 H ARG A 47 4.004 5.345 -4.662 1.00 0.00 H new ATOM 0 HA ARG A 47 5.680 6.606 -6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.713 8.697 -5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.672 7.410 -6.965 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.789 6.795 -4.125 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.692 7.672 -5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.211 4.837 -5.134 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.081 5.708 -6.152 1.00 0.00 H new ATOM 0 HE ARG A 47 3.982 5.591 -6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.823 6.062 -8.042 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.901 4.933 -9.399 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.981 3.592 -8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.675 3.545 -9.613 1.00 0.00 H new ATOM 768 N ASN A 48 5.248 9.183 -4.112 1.00 0.00 N ATOM 769 CA ASN A 48 6.057 10.298 -3.512 1.00 0.00 C ATOM 770 C ASN A 48 6.426 9.939 -2.072 1.00 0.00 C ATOM 771 O ASN A 48 6.050 10.618 -1.137 1.00 0.00 O ATOM 772 CB ASN A 48 5.272 11.624 -3.533 1.00 0.00 C ATOM 773 CG ASN A 48 4.005 11.450 -4.341 1.00 0.00 C ATOM 774 OD1 ASN A 48 2.929 11.804 -3.906 1.00 0.00 O ATOM 775 ND2 ASN A 48 4.097 10.927 -5.522 1.00 0.00 N ATOM 0 H ASN A 48 4.237 9.262 -4.006 1.00 0.00 H new ATOM 0 HA ASN A 48 6.962 10.429 -4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.028 11.930 -2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.885 12.415 -3.965 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.261 10.810 -6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.006 10.632 -5.880 1.00 0.00 H new ATOM 782 N ARG A 49 7.155 8.866 -1.897 1.00 0.00 N ATOM 783 CA ARG A 49 7.560 8.431 -0.517 1.00 0.00 C ATOM 784 C ARG A 49 7.832 9.634 0.369 1.00 0.00 C ATOM 785 O ARG A 49 8.176 10.694 -0.116 1.00 0.00 O ATOM 786 CB ARG A 49 8.861 7.640 -0.555 1.00 0.00 C ATOM 787 CG ARG A 49 8.594 6.212 -1.032 1.00 0.00 C ATOM 788 CD ARG A 49 9.898 5.592 -1.541 1.00 0.00 C ATOM 789 NE ARG A 49 10.933 5.664 -0.472 1.00 0.00 N ATOM 790 CZ ARG A 49 12.199 5.641 -0.787 1.00 0.00 C ATOM 791 NH1 ARG A 49 12.610 4.909 -1.786 1.00 0.00 N ATOM 792 NH2 ARG A 49 13.054 6.354 -0.105 1.00 0.00 N ATOM 0 H ARG A 49 7.491 8.267 -2.651 1.00 0.00 H new ATOM 0 HA ARG A 49 6.739 7.827 -0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.573 8.127 -1.222 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.314 7.622 0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.189 5.614 -0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.847 6.216 -1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.731 4.555 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.241 6.120 -2.431 1.00 0.00 H new ATOM 0 HE ARG A 49 10.652 5.731 0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.942 4.355 -2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.600 4.891 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.732 6.929 0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.044 6.336 -0.351 1.00 0.00 H new ATOM 806 N PRO A 50 7.713 9.429 1.655 1.00 0.00 N ATOM 807 CA PRO A 50 7.991 10.482 2.624 1.00 0.00 C ATOM 808 C PRO A 50 9.499 10.563 2.904 1.00 0.00 C ATOM 809 O PRO A 50 10.091 9.602 3.356 1.00 0.00 O ATOM 810 CB PRO A 50 7.239 10.033 3.877 1.00 0.00 C ATOM 811 CG PRO A 50 7.065 8.500 3.748 1.00 0.00 C ATOM 812 CD PRO A 50 7.265 8.152 2.260 1.00 0.00 C ATOM 0 HA PRO A 50 7.684 11.469 2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.797 10.287 4.778 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.272 10.530 3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.791 7.975 4.369 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.075 8.194 4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.008 7.365 2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.341 7.796 1.805 1.00 0.00 H new ATOM 820 N PRO A 51 10.080 11.707 2.636 1.00 0.00 N ATOM 821 CA PRO A 51 11.512 11.933 2.861 1.00 0.00 C ATOM 822 C PRO A 51 11.782 12.170 4.350 1.00 0.00 C ATOM 823 O PRO A 51 11.780 13.290 4.822 1.00 0.00 O ATOM 824 CB PRO A 51 11.820 13.184 2.037 1.00 0.00 C ATOM 825 CG PRO A 51 10.473 13.919 1.849 1.00 0.00 C ATOM 826 CD PRO A 51 9.367 12.874 2.088 1.00 0.00 C ATOM 0 HA PRO A 51 12.132 11.085 2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.542 13.820 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.256 12.918 1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.382 14.748 2.551 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.398 14.341 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.615 13.244 2.785 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.849 12.625 1.162 1.00 0.00 H new ATOM 834 N LEU A 52 12.006 11.121 5.095 1.00 0.00 N ATOM 835 CA LEU A 52 12.267 11.279 6.554 1.00 0.00 C ATOM 836 C LEU A 52 13.582 12.041 6.765 1.00 0.00 C ATOM 837 O LEU A 52 14.537 11.832 6.043 1.00 0.00 O ATOM 838 CB LEU A 52 12.373 9.897 7.203 1.00 0.00 C ATOM 839 CG LEU A 52 10.998 9.223 7.203 1.00 0.00 C ATOM 840 CD1 LEU A 52 10.955 8.153 6.106 1.00 0.00 C ATOM 841 CD2 LEU A 52 10.754 8.563 8.565 1.00 0.00 C ATOM 0 H LEU A 52 12.019 10.160 4.755 1.00 0.00 H new ATOM 0 HA LEU A 52 11.449 11.837 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.090 9.283 6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.743 9.991 8.224 1.00 0.00 H new ATOM 0 HG LEU A 52 10.227 9.970 7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.977 7.672 6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.132 8.619 5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.726 7.406 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.775 8.083 8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 52 11.525 7.816 8.751 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.787 9.321 9.348 1.00 0.00 H new ATOM 853 N PRO A 53 13.595 12.899 7.758 1.00 0.00 N ATOM 854 CA PRO A 53 14.782 13.703 8.096 1.00 0.00 C ATOM 855 C PRO A 53 15.799 12.854 8.854 1.00 0.00 C ATOM 856 O PRO A 53 15.809 11.644 8.754 1.00 0.00 O ATOM 857 CB PRO A 53 14.223 14.819 8.983 1.00 0.00 C ATOM 858 CG PRO A 53 12.891 14.286 9.564 1.00 0.00 C ATOM 859 CD PRO A 53 12.427 13.150 8.632 1.00 0.00 C ATOM 0 HA PRO A 53 15.304 14.089 7.220 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.923 15.069 9.781 1.00 0.00 H new ATOM 0 HB3 PRO A 53 14.059 15.729 8.406 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.031 13.920 10.581 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.144 15.078 9.611 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.153 12.259 9.196 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.551 13.443 8.053 1.00 0.00 H new ATOM 867 N ALA A 54 16.668 13.477 9.598 1.00 0.00 N ATOM 868 CA ALA A 54 17.691 12.694 10.334 1.00 0.00 C ATOM 869 C ALA A 54 18.501 13.624 11.240 1.00 0.00 C ATOM 870 O ALA A 54 18.912 13.250 12.321 1.00 0.00 O ATOM 871 CB ALA A 54 18.608 12.032 9.311 1.00 0.00 C ATOM 0 H ALA A 54 16.713 14.488 9.727 1.00 0.00 H new ATOM 0 HA ALA A 54 17.214 11.936 10.955 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.370 11.449 9.829 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.022 11.374 8.669 1.00 0.00 H new ATOM 0 HB3 ALA A 54 19.088 12.799 8.703 1.00 0.00 H new ATOM 877 N GLY A 55 18.735 14.834 10.810 1.00 0.00 N ATOM 878 CA GLY A 55 19.519 15.783 11.653 1.00 0.00 C ATOM 879 C GLY A 55 20.284 16.757 10.755 1.00 0.00 C ATOM 880 O GLY A 55 20.336 17.943 11.013 1.00 0.00 O ATOM 0 H GLY A 55 18.419 15.206 9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.851 16.333 12.316 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.215 15.233 12.286 1.00 0.00 H new ATOM 884 N THR A 56 20.880 16.267 9.700 1.00 0.00 N ATOM 885 CA THR A 56 21.641 17.169 8.791 1.00 0.00 C ATOM 886 C THR A 56 22.478 16.329 7.824 1.00 0.00 C ATOM 887 O THR A 56 22.793 16.828 6.756 1.00 0.00 O ATOM 888 CB THR A 56 22.564 18.067 9.619 1.00 0.00 C ATOM 889 OG1 THR A 56 23.560 18.625 8.774 1.00 0.00 O ATOM 890 CG2 THR A 56 23.232 17.238 10.721 1.00 0.00 C ATOM 891 OXT THR A 56 22.791 15.202 8.168 1.00 0.00 O ATOM 0 H THR A 56 20.872 15.283 9.430 1.00 0.00 H new ATOM 0 HA THR A 56 20.945 17.788 8.225 1.00 0.00 H new ATOM 0 HB THR A 56 21.981 18.868 10.073 1.00 0.00 H new ATOM 0 HG1 THR A 56 24.151 19.202 9.302 1.00 0.00 H new ATOM 0 HG21 THR A 56 23.889 17.878 11.310 1.00 0.00 H new ATOM 0 HG22 THR A 56 22.467 16.810 11.368 1.00 0.00 H new ATOM 0 HG23 THR A 56 23.816 16.436 10.270 1.00 0.00 H new TER 899 THR A 56