USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 428 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 50 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot -21:sc= 0.459! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.00552 (180deg=-0.107) USER MOD Single : A 2 THR OG1 : rot 147:sc= 0.487 USER MOD Single : A 3 THR OG1 : rot 51:sc= 0.171 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -130:sc= 0.0872 USER MOD Single : A 26 THR OG1 : rot -170:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 30:sc= -0.0917 USER MOD Single : A 36 ASN : amide:sc= -0.436 K(o=-0.44,f=-2.2!) USER MOD Single : A 38 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 46 TYR OH : rot 30:sc= -2.93 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -5:sc= -0.715! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.060 0.328 3.739 1.00 0.00 N ATOM 2 CA MET A 1 -15.729 0.966 3.523 1.00 0.00 C ATOM 3 C MET A 1 -14.739 -0.054 2.955 1.00 0.00 C ATOM 4 O MET A 1 -14.836 -1.238 3.219 1.00 0.00 O ATOM 5 CB MET A 1 -15.283 1.432 4.910 1.00 0.00 C ATOM 6 CG MET A 1 -16.143 2.617 5.352 1.00 0.00 C ATOM 7 SD MET A 1 -15.225 3.615 6.551 1.00 0.00 S ATOM 8 CE MET A 1 -16.268 3.261 7.987 1.00 0.00 C ATOM 0 H1 MET A 1 -17.799 0.908 3.293 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.062 -0.622 3.316 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.248 0.253 4.759 1.00 0.00 H new ATOM 0 HA MET A 1 -15.777 1.791 2.812 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.375 0.616 5.626 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.232 1.720 4.888 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.415 3.225 4.489 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.072 2.260 5.796 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.878 3.786 8.859 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.286 3.595 7.788 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.269 2.188 8.180 1.00 0.00 H new ATOM 20 N THR A 2 -13.786 0.399 2.179 1.00 0.00 N ATOM 21 CA THR A 2 -12.783 -0.538 1.592 1.00 0.00 C ATOM 22 C THR A 2 -11.462 -0.444 2.360 1.00 0.00 C ATOM 23 O THR A 2 -10.797 0.574 2.345 1.00 0.00 O ATOM 24 CB THR A 2 -12.599 -0.072 0.148 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.869 0.217 -0.420 1.00 0.00 O ATOM 26 CG2 THR A 2 -11.914 -1.175 -0.659 1.00 0.00 C ATOM 0 H THR A 2 -13.660 1.379 1.927 1.00 0.00 H new ATOM 0 HA THR A 2 -13.108 -1.577 1.644 1.00 0.00 H new ATOM 0 HB THR A 2 -11.981 0.826 0.129 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.780 0.952 -1.062 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.782 -0.844 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.940 -1.395 -0.221 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.530 -2.074 -0.643 1.00 0.00 H new ATOM 34 N THR A 3 -11.088 -1.499 3.037 1.00 0.00 N ATOM 35 CA THR A 3 -9.824 -1.485 3.818 1.00 0.00 C ATOM 36 C THR A 3 -8.675 -2.108 3.015 1.00 0.00 C ATOM 37 O THR A 3 -8.303 -3.248 3.227 1.00 0.00 O ATOM 38 CB THR A 3 -10.121 -2.305 5.081 1.00 0.00 C ATOM 39 OG1 THR A 3 -8.959 -2.348 5.897 1.00 0.00 O ATOM 40 CG2 THR A 3 -10.535 -3.735 4.710 1.00 0.00 C ATOM 0 H THR A 3 -11.611 -2.374 3.080 1.00 0.00 H new ATOM 0 HA THR A 3 -9.509 -0.470 4.060 1.00 0.00 H new ATOM 0 HB THR A 3 -10.940 -1.832 5.623 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.619 -1.439 6.031 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.742 -4.301 5.618 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.431 -3.705 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.727 -4.216 4.158 1.00 0.00 H new ATOM 48 N PHE A 4 -8.102 -1.363 2.101 1.00 0.00 N ATOM 49 CA PHE A 4 -6.967 -1.906 1.291 1.00 0.00 C ATOM 50 C PHE A 4 -5.793 -2.247 2.215 1.00 0.00 C ATOM 51 O PHE A 4 -5.770 -1.851 3.366 1.00 0.00 O ATOM 52 CB PHE A 4 -6.578 -0.783 0.325 1.00 0.00 C ATOM 53 CG PHE A 4 -7.704 -0.532 -0.648 1.00 0.00 C ATOM 54 CD1 PHE A 4 -7.821 -1.315 -1.802 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.628 0.491 -0.398 1.00 0.00 C ATOM 56 CE1 PHE A 4 -8.861 -1.075 -2.708 1.00 0.00 C ATOM 57 CE2 PHE A 4 -9.668 0.730 -1.303 1.00 0.00 C ATOM 58 CZ PHE A 4 -9.785 -0.052 -2.457 1.00 0.00 C ATOM 0 H PHE A 4 -8.371 -0.404 1.881 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.239 -2.816 0.756 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.357 0.128 0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.671 -1.054 -0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.109 -2.104 -1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.538 1.095 0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.951 -1.678 -3.600 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.381 1.518 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.588 0.133 -3.155 1.00 0.00 H new ATOM 68 N LYS A 5 -4.824 -2.980 1.726 1.00 0.00 N ATOM 69 CA LYS A 5 -3.655 -3.348 2.584 1.00 0.00 C ATOM 70 C LYS A 5 -2.345 -3.210 1.801 1.00 0.00 C ATOM 71 O LYS A 5 -2.160 -3.832 0.772 1.00 0.00 O ATOM 72 CB LYS A 5 -3.899 -4.806 2.974 1.00 0.00 C ATOM 73 CG LYS A 5 -2.792 -5.278 3.919 1.00 0.00 C ATOM 74 CD LYS A 5 -3.187 -6.619 4.541 1.00 0.00 C ATOM 75 CE LYS A 5 -3.240 -7.692 3.451 1.00 0.00 C ATOM 76 NZ LYS A 5 -3.804 -8.895 4.125 1.00 0.00 N ATOM 0 H LYS A 5 -4.791 -3.339 0.772 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.565 -2.699 3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.871 -4.906 3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.921 -5.432 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.854 -5.381 3.374 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.627 -4.537 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.467 -6.901 5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.158 -6.533 5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.866 -7.377 2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.248 -7.894 3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.872 -9.676 3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.183 -9.176 4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.751 -8.674 4.494 1.00 0.00 H new ATOM 90 N LEU A 6 -1.434 -2.404 2.288 1.00 0.00 N ATOM 91 CA LEU A 6 -0.129 -2.223 1.582 1.00 0.00 C ATOM 92 C LEU A 6 0.955 -3.075 2.254 1.00 0.00 C ATOM 93 O LEU A 6 1.134 -3.027 3.457 1.00 0.00 O ATOM 94 CB LEU A 6 0.199 -0.727 1.717 1.00 0.00 C ATOM 95 CG LEU A 6 1.585 -0.432 1.121 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.542 -0.608 -0.398 1.00 0.00 C ATOM 97 CD2 LEU A 6 1.994 1.005 1.459 1.00 0.00 C ATOM 0 H LEU A 6 -1.539 -1.863 3.146 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.178 -2.533 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.559 -0.133 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.177 -0.436 2.767 1.00 0.00 H new ATOM 0 HG LEU A 6 2.313 -1.125 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.526 -0.398 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.257 -1.632 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.812 0.081 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.977 1.213 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.265 1.699 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.032 1.127 2.541 1.00 0.00 H new ATOM 109 N ILE A 7 1.692 -3.832 1.480 1.00 0.00 N ATOM 110 CA ILE A 7 2.782 -4.663 2.067 1.00 0.00 C ATOM 111 C ILE A 7 4.022 -3.778 2.270 1.00 0.00 C ATOM 112 O ILE A 7 4.096 -2.687 1.733 1.00 0.00 O ATOM 113 CB ILE A 7 3.011 -5.806 1.045 1.00 0.00 C ATOM 114 CG1 ILE A 7 3.514 -7.046 1.784 1.00 0.00 C ATOM 115 CG2 ILE A 7 4.032 -5.418 -0.037 1.00 0.00 C ATOM 116 CD1 ILE A 7 2.333 -7.756 2.449 1.00 0.00 C ATOM 0 H ILE A 7 1.585 -3.909 0.469 1.00 0.00 H new ATOM 0 HA ILE A 7 2.545 -5.083 3.044 1.00 0.00 H new ATOM 0 HB ILE A 7 2.060 -6.007 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.013 -7.720 1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.251 -6.761 2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.161 -6.249 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.672 -4.544 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.988 -5.185 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.690 -8.640 2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.854 -7.080 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.612 -8.054 1.688 1.00 0.00 H new ATOM 128 N ILE A 8 4.987 -4.227 3.030 1.00 0.00 N ATOM 129 CA ILE A 8 6.204 -3.391 3.247 1.00 0.00 C ATOM 130 C ILE A 8 7.460 -4.169 2.848 1.00 0.00 C ATOM 131 O ILE A 8 8.230 -4.591 3.689 1.00 0.00 O ATOM 132 CB ILE A 8 6.212 -3.066 4.746 1.00 0.00 C ATOM 133 CG1 ILE A 8 4.924 -2.326 5.121 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.414 -2.176 5.076 1.00 0.00 C ATOM 135 CD1 ILE A 8 4.761 -2.324 6.642 1.00 0.00 C ATOM 0 H ILE A 8 4.985 -5.129 3.506 1.00 0.00 H new ATOM 0 HA ILE A 8 6.193 -2.484 2.642 1.00 0.00 H new ATOM 0 HB ILE A 8 6.279 -3.996 5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.958 -1.303 4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.066 -2.808 4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.416 -1.948 6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.335 -2.697 4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.348 -1.249 4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.845 -1.798 6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.708 -3.351 7.004 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.614 -1.822 7.099 1.00 0.00 H new ATOM 147 N ASN A 9 7.683 -4.345 1.570 1.00 0.00 N ATOM 148 CA ASN A 9 8.904 -5.076 1.117 1.00 0.00 C ATOM 149 C ASN A 9 10.002 -4.060 0.798 1.00 0.00 C ATOM 150 O ASN A 9 10.650 -4.124 -0.229 1.00 0.00 O ATOM 151 CB ASN A 9 8.477 -5.844 -0.142 1.00 0.00 C ATOM 152 CG ASN A 9 8.581 -7.352 0.111 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.637 -7.852 0.442 1.00 0.00 O ATOM 154 ND2 ASN A 9 7.521 -8.100 -0.034 1.00 0.00 N ATOM 0 H ASN A 9 7.073 -4.014 0.822 1.00 0.00 H new ATOM 0 HA ASN A 9 9.297 -5.756 1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.454 -5.581 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.110 -5.562 -0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.580 -9.105 0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.634 -7.680 -0.312 1.00 0.00 H new ATOM 161 N GLY A 10 10.202 -3.116 1.681 1.00 0.00 N ATOM 162 CA GLY A 10 11.240 -2.073 1.453 1.00 0.00 C ATOM 163 C GLY A 10 12.443 -2.329 2.358 1.00 0.00 C ATOM 164 O GLY A 10 12.337 -2.982 3.379 1.00 0.00 O ATOM 0 H GLY A 10 9.686 -3.024 2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.552 -2.080 0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.826 -1.085 1.655 1.00 0.00 H new ATOM 168 N LYS A 11 13.583 -1.804 1.992 1.00 0.00 N ATOM 169 CA LYS A 11 14.804 -1.996 2.829 1.00 0.00 C ATOM 170 C LYS A 11 14.759 -1.087 4.068 1.00 0.00 C ATOM 171 O LYS A 11 15.621 -1.162 4.924 1.00 0.00 O ATOM 172 CB LYS A 11 15.972 -1.604 1.922 1.00 0.00 C ATOM 173 CG LYS A 11 17.293 -1.980 2.594 1.00 0.00 C ATOM 174 CD LYS A 11 18.360 -2.216 1.522 1.00 0.00 C ATOM 175 CE LYS A 11 18.190 -3.618 0.932 1.00 0.00 C ATOM 176 NZ LYS A 11 19.086 -3.645 -0.257 1.00 0.00 N ATOM 0 H LYS A 11 13.721 -1.249 1.147 1.00 0.00 H new ATOM 0 HA LYS A 11 14.892 -3.019 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.885 -2.110 0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.946 -0.533 1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 11 17.610 -1.185 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.164 -2.878 3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.273 -1.466 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.355 -2.110 1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.468 -4.386 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.154 -3.805 0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.025 -4.576 -0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.793 -2.907 -0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.066 -3.471 0.043 1.00 0.00 H new ATOM 190 N THR A 12 13.766 -0.230 4.174 1.00 0.00 N ATOM 191 CA THR A 12 13.678 0.675 5.358 1.00 0.00 C ATOM 192 C THR A 12 12.688 0.114 6.382 1.00 0.00 C ATOM 193 O THR A 12 12.895 0.222 7.577 1.00 0.00 O ATOM 194 CB THR A 12 13.175 2.007 4.801 1.00 0.00 C ATOM 195 OG1 THR A 12 13.862 2.303 3.593 1.00 0.00 O ATOM 196 CG2 THR A 12 13.429 3.118 5.821 1.00 0.00 C ATOM 0 H THR A 12 13.017 -0.122 3.490 1.00 0.00 H new ATOM 0 HA THR A 12 14.635 0.781 5.868 1.00 0.00 H new ATOM 0 HB THR A 12 12.105 1.938 4.603 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.539 3.156 3.234 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.070 4.067 5.422 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.901 2.890 6.747 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.498 3.190 6.022 1.00 0.00 H new ATOM 204 N LEU A 13 11.614 -0.484 5.925 1.00 0.00 N ATOM 205 CA LEU A 13 10.610 -1.051 6.877 1.00 0.00 C ATOM 206 C LEU A 13 10.136 -2.427 6.401 1.00 0.00 C ATOM 207 O LEU A 13 10.338 -2.803 5.262 1.00 0.00 O ATOM 208 CB LEU A 13 9.450 -0.047 6.887 1.00 0.00 C ATOM 209 CG LEU A 13 9.326 0.595 8.277 1.00 0.00 C ATOM 210 CD1 LEU A 13 9.062 -0.482 9.335 1.00 0.00 C ATOM 211 CD2 LEU A 13 10.618 1.345 8.623 1.00 0.00 C ATOM 0 H LEU A 13 11.391 -0.603 4.937 1.00 0.00 H new ATOM 0 HA LEU A 13 11.028 -1.194 7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.618 0.724 6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.519 -0.551 6.625 1.00 0.00 H new ATOM 0 HG LEU A 13 8.492 1.296 8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.976 -0.015 10.316 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.135 -1.004 9.099 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.887 -1.194 9.343 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.523 1.798 9.610 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.455 0.647 8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.796 2.124 7.882 1.00 0.00 H new ATOM 223 N LYS A 14 9.509 -3.179 7.271 1.00 0.00 N ATOM 224 CA LYS A 14 9.019 -4.535 6.882 1.00 0.00 C ATOM 225 C LYS A 14 7.784 -4.911 7.706 1.00 0.00 C ATOM 226 O LYS A 14 7.727 -4.667 8.897 1.00 0.00 O ATOM 227 CB LYS A 14 10.182 -5.480 7.193 1.00 0.00 C ATOM 228 CG LYS A 14 10.293 -6.539 6.093 1.00 0.00 C ATOM 229 CD LYS A 14 11.767 -6.862 5.838 1.00 0.00 C ATOM 230 CE LYS A 14 12.344 -5.856 4.840 1.00 0.00 C ATOM 231 NZ LYS A 14 12.236 -6.525 3.514 1.00 0.00 N ATOM 0 H LYS A 14 9.315 -2.911 8.236 1.00 0.00 H new ATOM 0 HA LYS A 14 8.724 -4.582 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.112 -4.917 7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.025 -5.960 8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.758 -7.442 6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.826 -6.177 5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.326 -6.824 6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.866 -7.875 5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.787 -4.919 4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.380 -5.614 5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.612 -5.896 2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.782 -7.410 3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.238 -6.737 3.312 1.00 0.00 H new ATOM 245 N GLY A 15 6.797 -5.504 7.080 1.00 0.00 N ATOM 246 CA GLY A 15 5.566 -5.899 7.820 1.00 0.00 C ATOM 247 C GLY A 15 4.334 -5.600 6.966 1.00 0.00 C ATOM 248 O GLY A 15 4.345 -5.780 5.762 1.00 0.00 O ATOM 0 H GLY A 15 6.794 -5.731 6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.602 -6.961 8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.507 -5.356 8.763 1.00 0.00 H new ATOM 252 N GLU A 16 3.271 -5.148 7.581 1.00 0.00 N ATOM 253 CA GLU A 16 2.029 -4.837 6.812 1.00 0.00 C ATOM 254 C GLU A 16 1.305 -3.638 7.430 1.00 0.00 C ATOM 255 O GLU A 16 1.491 -3.321 8.590 1.00 0.00 O ATOM 256 CB GLU A 16 1.170 -6.097 6.924 1.00 0.00 C ATOM 257 CG GLU A 16 1.396 -6.983 5.696 1.00 0.00 C ATOM 258 CD GLU A 16 1.320 -8.455 6.106 1.00 0.00 C ATOM 259 OE1 GLU A 16 0.217 -8.962 6.217 1.00 0.00 O ATOM 260 OE2 GLU A 16 2.368 -9.050 6.301 1.00 0.00 O ATOM 0 H GLU A 16 3.210 -4.981 8.585 1.00 0.00 H new ATOM 0 HA GLU A 16 2.241 -4.577 5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.425 -6.644 7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.117 -5.826 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.645 -6.767 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.369 -6.768 5.253 1.00 0.00 H new ATOM 267 N THR A 17 0.482 -2.973 6.661 1.00 0.00 N ATOM 268 CA THR A 17 -0.263 -1.792 7.192 1.00 0.00 C ATOM 269 C THR A 17 -1.644 -1.703 6.538 1.00 0.00 C ATOM 270 O THR A 17 -1.789 -1.906 5.347 1.00 0.00 O ATOM 271 CB THR A 17 0.591 -0.582 6.812 1.00 0.00 C ATOM 272 OG1 THR A 17 1.915 -0.770 7.291 1.00 0.00 O ATOM 273 CG2 THR A 17 -0.005 0.682 7.434 1.00 0.00 C ATOM 0 H THR A 17 0.293 -3.198 5.684 1.00 0.00 H new ATOM 0 HA THR A 17 -0.425 -1.854 8.268 1.00 0.00 H new ATOM 0 HB THR A 17 0.609 -0.476 5.727 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.464 0.004 7.047 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.605 1.544 7.162 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.020 0.825 7.065 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.025 0.579 8.519 1.00 0.00 H new ATOM 281 N THR A 18 -2.658 -1.403 7.310 1.00 0.00 N ATOM 282 CA THR A 18 -4.035 -1.302 6.740 1.00 0.00 C ATOM 283 C THR A 18 -4.593 0.109 6.948 1.00 0.00 C ATOM 284 O THR A 18 -4.082 0.876 7.742 1.00 0.00 O ATOM 285 CB THR A 18 -4.862 -2.324 7.521 1.00 0.00 C ATOM 286 OG1 THR A 18 -4.754 -2.055 8.912 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.343 -3.733 7.230 1.00 0.00 C ATOM 0 H THR A 18 -2.591 -1.224 8.312 1.00 0.00 H new ATOM 0 HA THR A 18 -4.052 -1.495 5.667 1.00 0.00 H new ATOM 0 HB THR A 18 -5.907 -2.255 7.217 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.285 -2.708 9.414 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.933 -4.460 7.787 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.427 -3.939 6.163 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.298 -3.806 7.532 1.00 0.00 H new ATOM 295 N THR A 19 -5.639 0.452 6.239 1.00 0.00 N ATOM 296 CA THR A 19 -6.241 1.811 6.388 1.00 0.00 C ATOM 297 C THR A 19 -7.731 1.773 6.037 1.00 0.00 C ATOM 298 O THR A 19 -8.327 0.717 5.930 1.00 0.00 O ATOM 299 CB THR A 19 -5.473 2.703 5.404 1.00 0.00 C ATOM 300 OG1 THR A 19 -5.987 4.026 5.472 1.00 0.00 O ATOM 301 CG2 THR A 19 -5.628 2.169 3.976 1.00 0.00 C ATOM 0 H THR A 19 -6.103 -0.153 5.561 1.00 0.00 H new ATOM 0 HA THR A 19 -6.168 2.183 7.410 1.00 0.00 H new ATOM 0 HB THR A 19 -4.416 2.702 5.670 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.182 4.348 4.567 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.079 2.810 3.286 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.232 1.155 3.922 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.683 2.162 3.703 1.00 0.00 H new ATOM 309 N GLU A 20 -8.328 2.920 5.853 1.00 0.00 N ATOM 310 CA GLU A 20 -9.778 2.969 5.502 1.00 0.00 C ATOM 311 C GLU A 20 -10.001 3.895 4.300 1.00 0.00 C ATOM 312 O GLU A 20 -9.644 5.058 4.328 1.00 0.00 O ATOM 313 CB GLU A 20 -10.481 3.507 6.756 1.00 0.00 C ATOM 314 CG GLU A 20 -9.979 4.916 7.091 1.00 0.00 C ATOM 315 CD GLU A 20 -10.464 5.311 8.487 1.00 0.00 C ATOM 316 OE1 GLU A 20 -10.322 4.504 9.392 1.00 0.00 O ATOM 317 OE2 GLU A 20 -10.968 6.413 8.629 1.00 0.00 O ATOM 0 H GLU A 20 -7.872 3.829 5.931 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.168 1.992 5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.559 3.527 6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.297 2.839 7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.890 4.945 7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.344 5.629 6.352 1.00 0.00 H new ATOM 324 N ALA A 21 -10.583 3.382 3.246 1.00 0.00 N ATOM 325 CA ALA A 21 -10.830 4.221 2.036 1.00 0.00 C ATOM 326 C ALA A 21 -12.064 3.715 1.285 1.00 0.00 C ATOM 327 O ALA A 21 -12.465 2.576 1.434 1.00 0.00 O ATOM 328 CB ALA A 21 -9.575 4.053 1.177 1.00 0.00 C ATOM 0 H ALA A 21 -10.899 2.415 3.172 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.017 5.265 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.677 4.641 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.704 4.397 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.449 3.002 0.919 1.00 0.00 H new ATOM 334 N VAL A 22 -12.664 4.553 0.478 1.00 0.00 N ATOM 335 CA VAL A 22 -13.872 4.124 -0.289 1.00 0.00 C ATOM 336 C VAL A 22 -13.458 3.256 -1.486 1.00 0.00 C ATOM 337 O VAL A 22 -14.224 2.439 -1.961 1.00 0.00 O ATOM 338 CB VAL A 22 -14.546 5.426 -0.748 1.00 0.00 C ATOM 339 CG1 VAL A 22 -13.591 6.240 -1.627 1.00 0.00 C ATOM 340 CG2 VAL A 22 -15.810 5.094 -1.547 1.00 0.00 C ATOM 0 H VAL A 22 -12.369 5.516 0.317 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.552 3.519 0.311 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.808 6.014 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.083 7.159 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.694 6.486 -1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.316 5.655 -2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.288 6.018 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.543 4.497 -2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.500 4.530 -0.919 1.00 0.00 H new ATOM 350 N ASP A 23 -12.251 3.424 -1.971 1.00 0.00 N ATOM 351 CA ASP A 23 -11.779 2.607 -3.134 1.00 0.00 C ATOM 352 C ASP A 23 -10.288 2.855 -3.387 1.00 0.00 C ATOM 353 O ASP A 23 -9.653 3.628 -2.695 1.00 0.00 O ATOM 354 CB ASP A 23 -12.617 3.065 -4.338 1.00 0.00 C ATOM 355 CG ASP A 23 -12.520 4.588 -4.520 1.00 0.00 C ATOM 356 OD1 ASP A 23 -11.561 5.172 -4.040 1.00 0.00 O ATOM 357 OD2 ASP A 23 -13.412 5.145 -5.139 1.00 0.00 O ATOM 0 H ASP A 23 -11.571 4.093 -1.611 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.898 1.539 -2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.270 2.563 -5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.658 2.777 -4.193 1.00 0.00 H new ATOM 362 N ALA A 24 -9.728 2.200 -4.374 1.00 0.00 N ATOM 363 CA ALA A 24 -8.276 2.384 -4.681 1.00 0.00 C ATOM 364 C ALA A 24 -7.958 3.861 -4.946 1.00 0.00 C ATOM 365 O ALA A 24 -6.840 4.304 -4.762 1.00 0.00 O ATOM 366 CB ALA A 24 -8.020 1.552 -5.940 1.00 0.00 C ATOM 0 H ALA A 24 -10.216 1.543 -4.983 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.647 2.071 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.972 1.638 -6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.257 0.507 -5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.649 1.917 -6.752 1.00 0.00 H new ATOM 372 N ALA A 25 -8.933 4.622 -5.379 1.00 0.00 N ATOM 373 CA ALA A 25 -8.692 6.074 -5.660 1.00 0.00 C ATOM 374 C ALA A 25 -8.200 6.790 -4.398 1.00 0.00 C ATOM 375 O ALA A 25 -7.498 7.781 -4.472 1.00 0.00 O ATOM 376 CB ALA A 25 -10.048 6.632 -6.096 1.00 0.00 C ATOM 0 H ALA A 25 -9.886 4.302 -5.550 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.928 6.218 -6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.950 7.694 -6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.389 6.104 -6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.773 6.496 -5.293 1.00 0.00 H new ATOM 382 N THR A 26 -8.564 6.294 -3.242 1.00 0.00 N ATOM 383 CA THR A 26 -8.121 6.940 -1.970 1.00 0.00 C ATOM 384 C THR A 26 -7.091 6.058 -1.256 1.00 0.00 C ATOM 385 O THR A 26 -6.249 6.544 -0.525 1.00 0.00 O ATOM 386 CB THR A 26 -9.392 7.069 -1.129 1.00 0.00 C ATOM 387 OG1 THR A 26 -10.368 7.798 -1.859 1.00 0.00 O ATOM 388 CG2 THR A 26 -9.072 7.804 0.174 1.00 0.00 C ATOM 0 H THR A 26 -9.150 5.468 -3.125 1.00 0.00 H new ATOM 0 HA THR A 26 -7.645 7.905 -2.142 1.00 0.00 H new ATOM 0 HB THR A 26 -9.777 6.076 -0.897 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.120 8.018 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.979 7.895 0.772 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.323 7.244 0.733 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.686 8.798 -0.054 1.00 0.00 H new ATOM 396 N ALA A 27 -7.155 4.766 -1.463 1.00 0.00 N ATOM 397 CA ALA A 27 -6.182 3.843 -0.798 1.00 0.00 C ATOM 398 C ALA A 27 -4.748 4.199 -1.204 1.00 0.00 C ATOM 399 O ALA A 27 -3.901 4.446 -0.366 1.00 0.00 O ATOM 400 CB ALA A 27 -6.546 2.444 -1.298 1.00 0.00 C ATOM 0 H ALA A 27 -7.840 4.309 -2.065 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.232 3.912 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.873 1.712 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.573 2.213 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.451 2.409 -2.383 1.00 0.00 H new ATOM 406 N GLU A 28 -4.474 4.225 -2.484 1.00 0.00 N ATOM 407 CA GLU A 28 -3.094 4.565 -2.956 1.00 0.00 C ATOM 408 C GLU A 28 -2.694 5.959 -2.469 1.00 0.00 C ATOM 409 O GLU A 28 -1.582 6.169 -2.035 1.00 0.00 O ATOM 410 CB GLU A 28 -3.168 4.529 -4.484 1.00 0.00 C ATOM 411 CG GLU A 28 -1.752 4.534 -5.063 1.00 0.00 C ATOM 412 CD GLU A 28 -1.810 4.863 -6.555 1.00 0.00 C ATOM 413 OE1 GLU A 28 -2.244 4.011 -7.313 1.00 0.00 O ATOM 414 OE2 GLU A 28 -1.419 5.961 -6.916 1.00 0.00 O ATOM 0 H GLU A 28 -5.146 4.025 -3.225 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.348 3.869 -2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.703 3.638 -4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.726 5.390 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.138 5.268 -4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.283 3.562 -4.913 1.00 0.00 H new ATOM 421 N LYS A 29 -3.592 6.910 -2.530 1.00 0.00 N ATOM 422 CA LYS A 29 -3.256 8.294 -2.061 1.00 0.00 C ATOM 423 C LYS A 29 -2.805 8.261 -0.596 1.00 0.00 C ATOM 424 O LYS A 29 -1.926 8.999 -0.189 1.00 0.00 O ATOM 425 CB LYS A 29 -4.548 9.096 -2.206 1.00 0.00 C ATOM 426 CG LYS A 29 -4.721 9.527 -3.664 1.00 0.00 C ATOM 427 CD LYS A 29 -6.108 10.144 -3.853 1.00 0.00 C ATOM 428 CE LYS A 29 -6.093 11.594 -3.366 1.00 0.00 C ATOM 429 NZ LYS A 29 -7.198 12.260 -4.109 1.00 0.00 N ATOM 0 H LYS A 29 -4.542 6.791 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.442 8.734 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.400 8.494 -1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.519 9.972 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.950 10.249 -3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.600 8.669 -4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.395 10.105 -4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.851 9.571 -3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.251 11.651 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.135 12.070 -3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.252 13.260 -3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.017 12.196 -5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.099 11.790 -3.887 1.00 0.00 H new ATOM 443 N VAL A 30 -3.398 7.400 0.190 1.00 0.00 N ATOM 444 CA VAL A 30 -3.013 7.297 1.629 1.00 0.00 C ATOM 445 C VAL A 30 -1.782 6.398 1.779 1.00 0.00 C ATOM 446 O VAL A 30 -0.824 6.750 2.441 1.00 0.00 O ATOM 447 CB VAL A 30 -4.233 6.668 2.314 1.00 0.00 C ATOM 448 CG1 VAL A 30 -3.943 6.441 3.801 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.435 7.603 2.169 1.00 0.00 C ATOM 0 H VAL A 30 -4.136 6.761 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.754 8.262 2.065 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.451 5.710 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.815 5.994 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.089 5.772 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.718 7.395 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.303 7.158 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.209 8.561 2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.651 7.757 1.112 1.00 0.00 H new ATOM 459 N PHE A 31 -1.807 5.238 1.173 1.00 0.00 N ATOM 460 CA PHE A 31 -0.642 4.308 1.283 1.00 0.00 C ATOM 461 C PHE A 31 0.588 4.915 0.607 1.00 0.00 C ATOM 462 O PHE A 31 1.702 4.740 1.065 1.00 0.00 O ATOM 463 CB PHE A 31 -1.075 3.025 0.569 1.00 0.00 C ATOM 464 CG PHE A 31 -1.787 2.116 1.546 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.174 1.765 2.757 1.00 0.00 C ATOM 466 CD2 PHE A 31 -3.060 1.621 1.240 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.833 0.921 3.658 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.718 0.775 2.141 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.105 0.426 3.350 1.00 0.00 C ATOM 0 H PHE A 31 -2.583 4.895 0.607 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.369 4.117 2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.734 3.266 -0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.205 2.517 0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.192 2.146 2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.535 1.892 0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.360 0.652 4.591 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.699 0.391 1.903 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.614 -0.225 4.045 1.00 0.00 H new ATOM 479 N LYS A 32 0.398 5.633 -0.472 1.00 0.00 N ATOM 480 CA LYS A 32 1.564 6.257 -1.167 1.00 0.00 C ATOM 481 C LYS A 32 2.216 7.285 -0.241 1.00 0.00 C ATOM 482 O LYS A 32 3.426 7.366 -0.141 1.00 0.00 O ATOM 483 CB LYS A 32 0.993 6.944 -2.409 1.00 0.00 C ATOM 484 CG LYS A 32 2.136 7.545 -3.232 1.00 0.00 C ATOM 485 CD LYS A 32 1.602 8.678 -4.123 1.00 0.00 C ATOM 486 CE LYS A 32 1.894 8.367 -5.594 1.00 0.00 C ATOM 487 NZ LYS A 32 1.423 9.566 -6.341 1.00 0.00 N ATOM 0 H LYS A 32 -0.510 5.813 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 32 2.323 5.523 -1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.436 6.226 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.292 7.726 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.911 7.928 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.597 6.773 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.529 8.795 -3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.068 9.623 -3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.958 8.193 -5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.370 7.468 -5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.589 9.429 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.406 9.703 -6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.944 10.405 -6.015 1.00 0.00 H new ATOM 501 N GLN A 33 1.415 8.063 0.447 1.00 0.00 N ATOM 502 CA GLN A 33 1.978 9.084 1.386 1.00 0.00 C ATOM 503 C GLN A 33 2.807 8.395 2.470 1.00 0.00 C ATOM 504 O GLN A 33 3.761 8.944 2.987 1.00 0.00 O ATOM 505 CB GLN A 33 0.763 9.788 1.998 1.00 0.00 C ATOM 506 CG GLN A 33 1.237 10.929 2.901 1.00 0.00 C ATOM 507 CD GLN A 33 1.460 12.187 2.060 1.00 0.00 C ATOM 508 OE1 GLN A 33 0.516 12.814 1.622 1.00 0.00 O ATOM 509 NE2 GLN A 33 2.678 12.586 1.815 1.00 0.00 N ATOM 0 H GLN A 33 0.397 8.035 0.399 1.00 0.00 H new ATOM 0 HA GLN A 33 2.636 9.791 0.881 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.119 10.177 1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.169 9.078 2.573 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.497 11.124 3.677 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.161 10.648 3.406 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.471 12.060 2.183 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.837 13.424 1.256 1.00 0.00 H new ATOM 518 N TYR A 34 2.447 7.187 2.798 1.00 0.00 N ATOM 519 CA TYR A 34 3.202 6.420 3.834 1.00 0.00 C ATOM 520 C TYR A 34 4.549 5.972 3.239 1.00 0.00 C ATOM 521 O TYR A 34 5.599 6.235 3.793 1.00 0.00 O ATOM 522 CB TYR A 34 2.272 5.230 4.181 1.00 0.00 C ATOM 523 CG TYR A 34 3.049 4.035 4.697 1.00 0.00 C ATOM 524 CD1 TYR A 34 3.453 3.990 6.033 1.00 0.00 C ATOM 525 CD2 TYR A 34 3.358 2.978 3.834 1.00 0.00 C ATOM 526 CE1 TYR A 34 4.169 2.886 6.511 1.00 0.00 C ATOM 527 CE2 TYR A 34 4.074 1.874 4.308 1.00 0.00 C ATOM 528 CZ TYR A 34 4.480 1.827 5.647 1.00 0.00 C ATOM 529 OH TYR A 34 5.187 0.739 6.116 1.00 0.00 O ATOM 0 H TYR A 34 1.655 6.691 2.390 1.00 0.00 H new ATOM 0 HA TYR A 34 3.443 6.991 4.730 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.547 5.543 4.932 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.707 4.940 3.295 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.213 4.807 6.697 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.044 3.015 2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.481 2.850 7.544 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.313 1.058 3.642 1.00 0.00 H new ATOM 0 HH TYR A 34 4.991 0.607 7.067 1.00 0.00 H new ATOM 539 N ALA A 35 4.514 5.301 2.117 1.00 0.00 N ATOM 540 CA ALA A 35 5.782 4.834 1.478 1.00 0.00 C ATOM 541 C ALA A 35 6.628 6.036 1.049 1.00 0.00 C ATOM 542 O ALA A 35 7.826 6.065 1.253 1.00 0.00 O ATOM 543 CB ALA A 35 5.346 4.025 0.257 1.00 0.00 C ATOM 0 H ALA A 35 3.661 5.056 1.614 1.00 0.00 H new ATOM 0 HA ALA A 35 6.390 4.240 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.227 3.649 -0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.728 3.186 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.771 4.662 -0.415 1.00 0.00 H new ATOM 549 N ASN A 36 6.011 7.026 0.451 1.00 0.00 N ATOM 550 CA ASN A 36 6.770 8.232 -0.001 1.00 0.00 C ATOM 551 C ASN A 36 7.522 8.867 1.174 1.00 0.00 C ATOM 552 O ASN A 36 8.629 9.349 1.025 1.00 0.00 O ATOM 553 CB ASN A 36 5.713 9.198 -0.543 1.00 0.00 C ATOM 554 CG ASN A 36 6.404 10.384 -1.218 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.176 11.087 -0.598 1.00 0.00 O ATOM 556 ND2 ASN A 36 6.156 10.640 -2.474 1.00 0.00 N ATOM 0 H ASN A 36 5.010 7.050 0.256 1.00 0.00 H new ATOM 0 HA ASN A 36 7.516 7.981 -0.755 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.068 8.685 -1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.075 9.549 0.268 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.610 11.429 -2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.508 10.051 -2.996 1.00 0.00 H new ATOM 563 N ASP A 37 6.924 8.867 2.338 1.00 0.00 N ATOM 564 CA ASP A 37 7.596 9.466 3.531 1.00 0.00 C ATOM 565 C ASP A 37 8.699 8.534 4.038 1.00 0.00 C ATOM 566 O ASP A 37 9.825 8.947 4.246 1.00 0.00 O ATOM 567 CB ASP A 37 6.492 9.613 4.581 1.00 0.00 C ATOM 568 CG ASP A 37 6.804 10.805 5.488 1.00 0.00 C ATOM 569 OD1 ASP A 37 6.827 11.917 4.985 1.00 0.00 O ATOM 570 OD2 ASP A 37 7.015 10.586 6.669 1.00 0.00 O ATOM 0 H ASP A 37 5.998 8.477 2.514 1.00 0.00 H new ATOM 0 HA ASP A 37 8.067 10.422 3.302 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.528 9.757 4.093 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.416 8.702 5.174 1.00 0.00 H new ATOM 575 N ASN A 38 8.383 7.278 4.234 1.00 0.00 N ATOM 576 CA ASN A 38 9.412 6.309 4.724 1.00 0.00 C ATOM 577 C ASN A 38 10.504 6.124 3.668 1.00 0.00 C ATOM 578 O ASN A 38 11.683 6.192 3.963 1.00 0.00 O ATOM 579 CB ASN A 38 8.658 4.996 4.948 1.00 0.00 C ATOM 580 CG ASN A 38 7.997 5.013 6.328 1.00 0.00 C ATOM 581 OD1 ASN A 38 8.360 4.247 7.198 1.00 0.00 O ATOM 582 ND2 ASN A 38 7.035 5.862 6.566 1.00 0.00 N ATOM 0 H ASN A 38 7.457 6.881 4.076 1.00 0.00 H new ATOM 0 HA ASN A 38 9.900 6.655 5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.903 4.862 4.174 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.345 4.153 4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.588 5.882 7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.730 6.505 5.835 1.00 0.00 H new ATOM 589 N GLY A 39 10.117 5.892 2.440 1.00 0.00 N ATOM 590 CA GLY A 39 11.122 5.703 1.353 1.00 0.00 C ATOM 591 C GLY A 39 10.897 4.350 0.676 1.00 0.00 C ATOM 592 O GLY A 39 11.756 3.488 0.696 1.00 0.00 O ATOM 0 H GLY A 39 9.144 5.825 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.036 6.506 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.130 5.752 1.764 1.00 0.00 H new ATOM 596 N ILE A 40 9.749 4.158 0.074 1.00 0.00 N ATOM 597 CA ILE A 40 9.466 2.860 -0.609 1.00 0.00 C ATOM 598 C ILE A 40 8.964 3.104 -2.036 1.00 0.00 C ATOM 599 O ILE A 40 7.786 2.988 -2.316 1.00 0.00 O ATOM 600 CB ILE A 40 8.387 2.180 0.243 1.00 0.00 C ATOM 601 CG1 ILE A 40 8.942 1.931 1.650 1.00 0.00 C ATOM 602 CG2 ILE A 40 7.988 0.840 -0.393 1.00 0.00 C ATOM 603 CD1 ILE A 40 7.842 1.365 2.550 1.00 0.00 C ATOM 0 H ILE A 40 8.996 4.845 0.027 1.00 0.00 H new ATOM 0 HA ILE A 40 10.358 2.240 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 40 7.509 2.824 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.779 1.235 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.325 2.861 2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.221 0.362 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.597 1.015 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.862 0.191 -0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.243 1.190 3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.018 2.076 2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.480 0.424 2.135 1.00 0.00 H new ATOM 615 N ASP A 41 9.856 3.421 -2.939 1.00 0.00 N ATOM 616 CA ASP A 41 9.447 3.651 -4.355 1.00 0.00 C ATOM 617 C ASP A 41 9.700 2.377 -5.165 1.00 0.00 C ATOM 618 O ASP A 41 10.164 2.421 -6.288 1.00 0.00 O ATOM 619 CB ASP A 41 10.335 4.794 -4.849 1.00 0.00 C ATOM 620 CG ASP A 41 9.561 5.643 -5.859 1.00 0.00 C ATOM 621 OD1 ASP A 41 8.795 6.490 -5.428 1.00 0.00 O ATOM 622 OD2 ASP A 41 9.746 5.432 -7.046 1.00 0.00 O ATOM 0 H ASP A 41 10.853 3.531 -2.755 1.00 0.00 H new ATOM 0 HA ASP A 41 8.390 3.899 -4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.653 5.410 -4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.238 4.394 -5.311 1.00 0.00 H new ATOM 627 N GLY A 42 9.402 1.243 -4.585 1.00 0.00 N ATOM 628 CA GLY A 42 9.622 -0.054 -5.285 1.00 0.00 C ATOM 629 C GLY A 42 8.711 -0.152 -6.505 1.00 0.00 C ATOM 630 O GLY A 42 8.549 0.793 -7.254 1.00 0.00 O ATOM 0 H GLY A 42 9.012 1.162 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.664 -0.138 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.422 -0.882 -4.605 1.00 0.00 H new ATOM 634 N GLU A 43 8.103 -1.293 -6.694 1.00 0.00 N ATOM 635 CA GLU A 43 7.185 -1.482 -7.842 1.00 0.00 C ATOM 636 C GLU A 43 5.798 -1.835 -7.316 1.00 0.00 C ATOM 637 O GLU A 43 5.534 -2.950 -6.906 1.00 0.00 O ATOM 638 CB GLU A 43 7.784 -2.619 -8.682 1.00 0.00 C ATOM 639 CG GLU A 43 7.906 -3.904 -7.846 1.00 0.00 C ATOM 640 CD GLU A 43 9.347 -4.421 -7.889 1.00 0.00 C ATOM 641 OE1 GLU A 43 10.165 -3.900 -7.149 1.00 0.00 O ATOM 642 OE2 GLU A 43 9.607 -5.328 -8.662 1.00 0.00 O ATOM 0 H GLU A 43 8.208 -2.109 -6.091 1.00 0.00 H new ATOM 0 HA GLU A 43 7.079 -0.584 -8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.156 -2.804 -9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.766 -2.326 -9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.612 -3.706 -6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.226 -4.664 -8.231 1.00 0.00 H new ATOM 649 N TRP A 44 4.927 -0.869 -7.288 1.00 0.00 N ATOM 650 CA TRP A 44 3.565 -1.100 -6.747 1.00 0.00 C ATOM 651 C TRP A 44 2.746 -2.044 -7.616 1.00 0.00 C ATOM 652 O TRP A 44 2.802 -2.020 -8.830 1.00 0.00 O ATOM 653 CB TRP A 44 2.919 0.278 -6.682 1.00 0.00 C ATOM 654 CG TRP A 44 3.468 0.978 -5.490 1.00 0.00 C ATOM 655 CD1 TRP A 44 4.746 1.402 -5.362 1.00 0.00 C ATOM 656 CD2 TRP A 44 2.794 1.315 -4.248 1.00 0.00 C ATOM 657 NE1 TRP A 44 4.898 1.982 -4.117 1.00 0.00 N ATOM 658 CE2 TRP A 44 3.722 1.950 -3.393 1.00 0.00 C ATOM 659 CE3 TRP A 44 1.478 1.135 -3.784 1.00 0.00 C ATOM 660 CZ2 TRP A 44 3.361 2.386 -2.122 1.00 0.00 C ATOM 661 CZ3 TRP A 44 1.110 1.577 -2.504 1.00 0.00 C ATOM 662 CH2 TRP A 44 2.051 2.200 -1.673 1.00 0.00 C ATOM 0 H TRP A 44 5.103 0.079 -7.620 1.00 0.00 H new ATOM 0 HA TRP A 44 3.613 -1.581 -5.770 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.132 0.843 -7.589 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.835 0.189 -6.608 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.520 1.304 -6.109 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.771 2.384 -3.775 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.747 0.654 -4.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.090 2.866 -1.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.097 1.436 -2.158 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.764 2.536 -0.687 1.00 0.00 H new ATOM 673 N THR A 45 1.964 -2.859 -6.972 1.00 0.00 N ATOM 674 CA THR A 45 1.087 -3.818 -7.686 1.00 0.00 C ATOM 675 C THR A 45 -0.130 -4.085 -6.808 1.00 0.00 C ATOM 676 O THR A 45 -0.005 -4.334 -5.623 1.00 0.00 O ATOM 677 CB THR A 45 1.913 -5.089 -7.870 1.00 0.00 C ATOM 678 OG1 THR A 45 2.600 -5.390 -6.663 1.00 0.00 O ATOM 679 CG2 THR A 45 2.923 -4.886 -9.002 1.00 0.00 C ATOM 0 H THR A 45 1.896 -2.900 -5.955 1.00 0.00 H new ATOM 0 HA THR A 45 0.743 -3.446 -8.651 1.00 0.00 H new ATOM 0 HB THR A 45 1.251 -5.917 -8.123 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.128 -6.207 -6.782 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.512 -5.794 -9.132 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.392 -4.662 -9.927 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.586 -4.057 -8.754 1.00 0.00 H new ATOM 687 N TYR A 46 -1.299 -4.009 -7.370 1.00 0.00 N ATOM 688 CA TYR A 46 -2.532 -4.230 -6.564 1.00 0.00 C ATOM 689 C TYR A 46 -3.097 -5.631 -6.843 1.00 0.00 C ATOM 690 O TYR A 46 -3.297 -6.016 -7.980 1.00 0.00 O ATOM 691 CB TYR A 46 -3.479 -3.107 -7.034 1.00 0.00 C ATOM 692 CG TYR A 46 -4.917 -3.379 -6.637 1.00 0.00 C ATOM 693 CD1 TYR A 46 -5.732 -4.154 -7.471 1.00 0.00 C ATOM 694 CD2 TYR A 46 -5.436 -2.846 -5.450 1.00 0.00 C ATOM 695 CE1 TYR A 46 -7.064 -4.394 -7.120 1.00 0.00 C ATOM 696 CE2 TYR A 46 -6.766 -3.088 -5.099 1.00 0.00 C ATOM 697 CZ TYR A 46 -7.582 -3.862 -5.935 1.00 0.00 C ATOM 698 OH TYR A 46 -8.897 -4.097 -5.594 1.00 0.00 O ATOM 0 H TYR A 46 -1.457 -3.803 -8.356 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.370 -4.193 -5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.157 -2.158 -6.606 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.414 -3.007 -8.117 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.332 -4.566 -8.385 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.808 -2.248 -4.806 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.693 -4.990 -7.764 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.166 -2.679 -4.183 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.179 -4.963 -5.955 1.00 0.00 H new ATOM 708 N ASP A 47 -3.354 -6.387 -5.806 1.00 0.00 N ATOM 709 CA ASP A 47 -3.907 -7.760 -5.990 1.00 0.00 C ATOM 710 C ASP A 47 -5.427 -7.741 -5.811 1.00 0.00 C ATOM 711 O ASP A 47 -5.928 -7.585 -4.712 1.00 0.00 O ATOM 712 CB ASP A 47 -3.248 -8.602 -4.897 1.00 0.00 C ATOM 713 CG ASP A 47 -1.886 -9.100 -5.385 1.00 0.00 C ATOM 714 OD1 ASP A 47 -1.843 -9.701 -6.446 1.00 0.00 O ATOM 715 OD2 ASP A 47 -0.910 -8.871 -4.690 1.00 0.00 O ATOM 0 H ASP A 47 -3.203 -6.110 -4.836 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.708 -8.158 -6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.126 -8.009 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.886 -9.448 -4.641 1.00 0.00 H new ATOM 720 N ASP A 48 -6.160 -7.896 -6.884 1.00 0.00 N ATOM 721 CA ASP A 48 -7.653 -7.887 -6.787 1.00 0.00 C ATOM 722 C ASP A 48 -8.150 -9.099 -5.990 1.00 0.00 C ATOM 723 O ASP A 48 -9.259 -9.105 -5.490 1.00 0.00 O ATOM 724 CB ASP A 48 -8.153 -7.959 -8.232 1.00 0.00 C ATOM 725 CG ASP A 48 -9.568 -7.383 -8.312 1.00 0.00 C ATOM 726 OD1 ASP A 48 -10.474 -8.018 -7.798 1.00 0.00 O ATOM 727 OD2 ASP A 48 -9.721 -6.318 -8.886 1.00 0.00 O ATOM 0 H ASP A 48 -5.789 -8.029 -7.825 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.019 -6.999 -6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.484 -7.401 -8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.150 -8.993 -8.578 1.00 0.00 H new ATOM 732 N ALA A 49 -7.342 -10.128 -5.870 1.00 0.00 N ATOM 733 CA ALA A 49 -7.767 -11.345 -5.110 1.00 0.00 C ATOM 734 C ALA A 49 -8.236 -10.970 -3.699 1.00 0.00 C ATOM 735 O ALA A 49 -9.186 -11.530 -3.185 1.00 0.00 O ATOM 736 CB ALA A 49 -6.521 -12.231 -5.038 1.00 0.00 C ATOM 0 H ALA A 49 -6.404 -10.175 -6.268 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.603 -11.850 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.756 -13.145 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.195 -12.483 -6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.723 -11.696 -4.522 1.00 0.00 H new ATOM 742 N THR A 50 -7.574 -10.030 -3.072 1.00 0.00 N ATOM 743 CA THR A 50 -7.976 -9.617 -1.692 1.00 0.00 C ATOM 744 C THR A 50 -7.672 -8.132 -1.459 1.00 0.00 C ATOM 745 O THR A 50 -7.543 -7.690 -0.333 1.00 0.00 O ATOM 746 CB THR A 50 -7.130 -10.485 -0.757 1.00 0.00 C ATOM 747 OG1 THR A 50 -5.753 -10.252 -1.015 1.00 0.00 O ATOM 748 CG2 THR A 50 -7.451 -11.963 -0.991 1.00 0.00 C ATOM 0 H THR A 50 -6.772 -9.530 -3.456 1.00 0.00 H new ATOM 0 HA THR A 50 -9.045 -9.748 -1.524 1.00 0.00 H new ATOM 0 HB THR A 50 -7.357 -10.228 0.278 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.210 -10.806 -0.416 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.846 -12.577 -0.323 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.507 -12.142 -0.791 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.228 -12.224 -2.025 1.00 0.00 H new ATOM 756 N LYS A 51 -7.559 -7.353 -2.512 1.00 0.00 N ATOM 757 CA LYS A 51 -7.266 -5.888 -2.357 1.00 0.00 C ATOM 758 C LYS A 51 -6.053 -5.665 -1.442 1.00 0.00 C ATOM 759 O LYS A 51 -6.191 -5.546 -0.238 1.00 0.00 O ATOM 760 CB LYS A 51 -8.532 -5.287 -1.727 1.00 0.00 C ATOM 761 CG LYS A 51 -9.173 -4.290 -2.698 1.00 0.00 C ATOM 762 CD LYS A 51 -10.340 -4.961 -3.428 1.00 0.00 C ATOM 763 CE LYS A 51 -11.505 -5.163 -2.456 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.351 -6.216 -3.084 1.00 0.00 N ATOM 0 H LYS A 51 -7.658 -7.670 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.023 -5.423 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.240 -6.080 -1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.281 -4.787 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.527 -3.414 -2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.433 -3.941 -3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.658 -4.346 -4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.023 -5.921 -3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.150 -5.475 -1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.065 -4.239 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.172 -6.410 -2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.680 -5.888 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.793 -7.086 -3.201 1.00 0.00 H new ATOM 778 N THR A 52 -4.872 -5.605 -2.004 1.00 0.00 N ATOM 779 CA THR A 52 -3.657 -5.391 -1.163 1.00 0.00 C ATOM 780 C THR A 52 -2.518 -4.791 -1.993 1.00 0.00 C ATOM 781 O THR A 52 -1.893 -5.471 -2.785 1.00 0.00 O ATOM 782 CB THR A 52 -3.276 -6.785 -0.663 1.00 0.00 C ATOM 783 OG1 THR A 52 -4.384 -7.362 0.014 1.00 0.00 O ATOM 784 CG2 THR A 52 -2.088 -6.681 0.295 1.00 0.00 C ATOM 0 H THR A 52 -4.698 -5.695 -3.005 1.00 0.00 H new ATOM 0 HA THR A 52 -3.845 -4.695 -0.346 1.00 0.00 H new ATOM 0 HB THR A 52 -3.000 -7.412 -1.511 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.995 -6.653 0.306 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.819 -7.676 0.650 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.238 -6.239 -0.226 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.359 -6.054 1.144 1.00 0.00 H new ATOM 792 N PHE A 53 -2.233 -3.526 -1.801 1.00 0.00 N ATOM 793 CA PHE A 53 -1.116 -2.881 -2.562 1.00 0.00 C ATOM 794 C PHE A 53 0.201 -3.574 -2.202 1.00 0.00 C ATOM 795 O PHE A 53 0.446 -3.880 -1.050 1.00 0.00 O ATOM 796 CB PHE A 53 -1.097 -1.423 -2.096 1.00 0.00 C ATOM 797 CG PHE A 53 -2.288 -0.687 -2.664 1.00 0.00 C ATOM 798 CD1 PHE A 53 -3.506 -0.682 -1.972 1.00 0.00 C ATOM 799 CD2 PHE A 53 -2.172 -0.004 -3.880 1.00 0.00 C ATOM 800 CE1 PHE A 53 -4.606 0.007 -2.496 1.00 0.00 C ATOM 801 CE2 PHE A 53 -3.272 0.686 -4.404 1.00 0.00 C ATOM 802 CZ PHE A 53 -4.489 0.691 -3.713 1.00 0.00 C ATOM 0 H PHE A 53 -2.725 -2.912 -1.151 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.247 -2.952 -3.642 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.117 -1.380 -1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.174 -0.941 -2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.596 -1.210 -1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.234 -0.009 -4.415 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.545 0.011 -1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.181 1.214 -5.342 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.338 1.222 -4.118 1.00 0.00 H new ATOM 812 N THR A 54 1.036 -3.854 -3.172 1.00 0.00 N ATOM 813 CA THR A 54 2.320 -4.562 -2.855 1.00 0.00 C ATOM 814 C THR A 54 3.548 -3.859 -3.463 1.00 0.00 C ATOM 815 O THR A 54 3.843 -4.022 -4.632 1.00 0.00 O ATOM 816 CB THR A 54 2.142 -5.952 -3.476 1.00 0.00 C ATOM 817 OG1 THR A 54 0.974 -6.559 -2.940 1.00 0.00 O ATOM 818 CG2 THR A 54 3.360 -6.828 -3.165 1.00 0.00 C ATOM 0 H THR A 54 0.890 -3.628 -4.156 1.00 0.00 H new ATOM 0 HA THR A 54 2.506 -4.585 -1.781 1.00 0.00 H new ATOM 0 HB THR A 54 2.044 -5.851 -4.557 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.856 -7.448 -3.336 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.223 -7.813 -3.611 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.256 -6.365 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.468 -6.930 -2.085 1.00 0.00 H new ATOM 826 N VAL A 55 4.292 -3.114 -2.667 1.00 0.00 N ATOM 827 CA VAL A 55 5.520 -2.453 -3.192 1.00 0.00 C ATOM 828 C VAL A 55 6.762 -3.233 -2.733 1.00 0.00 C ATOM 829 O VAL A 55 6.695 -4.059 -1.841 1.00 0.00 O ATOM 830 CB VAL A 55 5.543 -1.013 -2.641 1.00 0.00 C ATOM 831 CG1 VAL A 55 5.760 -1.009 -1.130 1.00 0.00 C ATOM 832 CG2 VAL A 55 6.691 -0.247 -3.301 1.00 0.00 C ATOM 0 H VAL A 55 4.095 -2.941 -1.681 1.00 0.00 H new ATOM 0 HA VAL A 55 5.521 -2.434 -4.282 1.00 0.00 H new ATOM 0 HB VAL A 55 4.584 -0.543 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.772 0.019 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.951 -1.556 -0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.712 -1.487 -0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.716 0.773 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.636 -0.742 -3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.541 -0.225 -4.380 1.00 0.00 H new ATOM 842 N THR A 56 7.884 -2.964 -3.339 1.00 0.00 N ATOM 843 CA THR A 56 9.146 -3.671 -2.972 1.00 0.00 C ATOM 844 C THR A 56 10.354 -2.897 -3.523 1.00 0.00 C ATOM 845 O THR A 56 10.525 -2.786 -4.723 1.00 0.00 O ATOM 846 CB THR A 56 9.025 -5.034 -3.663 1.00 0.00 C ATOM 847 OG1 THR A 56 7.929 -5.752 -3.116 1.00 0.00 O ATOM 848 CG2 THR A 56 10.310 -5.847 -3.470 1.00 0.00 C ATOM 0 H THR A 56 7.983 -2.274 -4.084 1.00 0.00 H new ATOM 0 HA THR A 56 9.287 -3.761 -1.895 1.00 0.00 H new ATOM 0 HB THR A 56 8.864 -4.871 -4.729 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.545 -5.245 -2.371 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.208 -6.812 -3.966 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.152 -5.305 -3.900 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.485 -6.003 -2.406 1.00 0.00 H new ATOM 856 N GLU A 57 11.193 -2.375 -2.663 1.00 0.00 N ATOM 857 CA GLU A 57 12.391 -1.621 -3.150 1.00 0.00 C ATOM 858 C GLU A 57 13.675 -2.242 -2.590 1.00 0.00 C ATOM 859 O GLU A 57 13.579 -2.985 -1.628 1.00 0.00 O ATOM 860 CB GLU A 57 12.208 -0.186 -2.641 1.00 0.00 C ATOM 861 CG GLU A 57 12.107 -0.173 -1.111 1.00 0.00 C ATOM 862 CD GLU A 57 12.609 1.170 -0.571 1.00 0.00 C ATOM 863 OE1 GLU A 57 12.492 2.158 -1.279 1.00 0.00 O ATOM 864 OE2 GLU A 57 13.104 1.188 0.544 1.00 0.00 O ATOM 865 OXT GLU A 57 14.730 -1.963 -3.135 1.00 0.00 O ATOM 0 H GLU A 57 11.102 -2.437 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 57 12.478 -1.649 -4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.047 0.431 -2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.308 0.249 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.074 -0.336 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.697 -0.988 -0.691 1.00 0.00 H new TER 872 GLU A 57