USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 749 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 95 SER OG : rot -77:sc= 0.949 USER MOD Set 1.2: A 98 GLN : amide:sc= 1.63 K(o=2.6,f=-2.1!) USER MOD Set 2.1: A 59 ASN : amide:sc= 0.498 K(o=0.89,f=-5.4!) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.395 K(o=0.89,f=-5.4) USER MOD Set 3.1: A 8 THR OG1 : rot -44:sc= 1.42 USER MOD Set 3.2: A 11 SER OG : rot 7:sc= 2.98 USER MOD Single : A 3 LYS NZ :NH3+ -148:sc= 0.742 (180deg=-0.516) USER MOD Single : A 6 HIS : no HE2:sc= -0.24 K(o=-0.24,f=-1.2) USER MOD Single : A 14 THR OG1 : rot 101:sc= 0.118 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc=-0.00322 (180deg=-0.138) USER MOD Single : A 36 LYS NZ :NH3+ -130:sc= 0.842 (180deg=0.298) USER MOD Single : A 37 MET CE :methyl -176:sc= 0 (180deg=-0.035) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.398 X(o=0.4,f=-0.057) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0288) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.165) USER MOD Single : A 63 ASN : amide:sc= 1.38 K(o=1.4,f=-4.8!) USER MOD Single : A 66 THR OG1 : rot 86:sc= 1.28 USER MOD Single : A 69 LYS NZ :NH3+ -131:sc= 0.479 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 31:sc= 1.06 USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 1.08 (180deg=1.05) USER MOD Single : A 96 LYS NZ :NH3+ -175:sc= 0.637 (180deg=0.626) USER MOD Single : A 100 LYS NZ :NH3+ 166:sc= 0.553 (180deg=0.453) USER MOD Single : A 106 ASN : amide:sc= 1.07 K(o=1.1,f=-1) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 3 4.141 -9.061 1.231 1.00 0.00 N ATOM 25 CA LYS A 3 2.889 -9.026 1.964 1.00 0.00 C ATOM 26 C LYS A 3 1.972 -8.078 1.187 1.00 0.00 C ATOM 27 O LYS A 3 1.340 -7.196 1.761 1.00 0.00 O ATOM 28 CB LYS A 3 3.160 -8.565 3.400 1.00 0.00 C ATOM 29 CG LYS A 3 3.885 -9.675 4.176 1.00 0.00 C ATOM 30 CD LYS A 3 4.180 -9.276 5.628 1.00 0.00 C ATOM 31 CE LYS A 3 5.281 -8.215 5.753 1.00 0.00 C ATOM 32 NZ LYS A 3 6.549 -8.663 5.153 1.00 0.00 N ATOM 0 HA LYS A 3 2.409 -10.001 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.766 -7.659 3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.221 -8.316 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.276 -10.579 4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.820 -9.916 3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.266 -8.898 6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.474 -10.163 6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.955 -7.295 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.441 -7.980 6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.346 -8.250 5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.606 -9.700 5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.591 -8.356 4.160 1.00 0.00 H new ATOM 46 N ILE A 4 1.951 -8.245 -0.141 1.00 0.00 N ATOM 47 CA ILE A 4 1.195 -7.402 -1.052 1.00 0.00 C ATOM 48 C ILE A 4 -0.158 -8.032 -1.369 1.00 0.00 C ATOM 49 O ILE A 4 -0.264 -9.250 -1.512 1.00 0.00 O ATOM 50 CB ILE A 4 2.015 -7.148 -2.324 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.338 -6.466 -1.940 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.189 -6.280 -3.278 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.162 -6.038 -3.152 1.00 0.00 C ATOM 0 H ILE A 4 2.471 -8.985 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 4 1.000 -6.441 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 4 2.251 -8.085 -2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.125 -5.591 -1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.928 -7.149 -1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.761 -6.092 -4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.264 -6.798 -3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.953 -5.332 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.084 -5.563 -2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.404 -6.913 -3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.588 -5.332 -3.751 1.00 0.00 H new ATOM 65 N ILE A 5 -1.187 -7.190 -1.491 1.00 0.00 N ATOM 66 CA ILE A 5 -2.547 -7.631 -1.775 1.00 0.00 C ATOM 67 C ILE A 5 -2.820 -7.667 -3.275 1.00 0.00 C ATOM 68 O ILE A 5 -2.827 -6.644 -3.951 1.00 0.00 O ATOM 69 CB ILE A 5 -3.568 -6.765 -1.013 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.235 -6.617 0.485 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.990 -7.311 -1.200 1.00 0.00 C ATOM 72 CD1 ILE A 5 -3.113 -7.944 1.242 1.00 0.00 C ATOM 0 H ILE A 5 -1.095 -6.179 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.658 -8.655 -1.417 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.510 -5.766 -1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.298 -6.069 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.009 -6.013 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.695 -6.685 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.245 -7.306 -2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.041 -8.331 -0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.877 -7.746 2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.056 -8.487 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.319 -8.544 0.798 1.00 0.00 H new ATOM 84 N HIS A 6 -3.060 -8.871 -3.785 1.00 0.00 N ATOM 85 CA HIS A 6 -3.337 -9.136 -5.180 1.00 0.00 C ATOM 86 C HIS A 6 -4.824 -8.920 -5.452 1.00 0.00 C ATOM 87 O HIS A 6 -5.639 -9.805 -5.204 1.00 0.00 O ATOM 88 CB HIS A 6 -2.818 -10.547 -5.477 1.00 0.00 C ATOM 89 CG HIS A 6 -1.315 -10.576 -5.326 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.577 -11.025 -4.238 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.493 -9.783 -6.069 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.678 -10.546 -4.373 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.753 -9.819 -5.494 1.00 0.00 N ATOM 0 H HIS A 6 -3.066 -9.715 -3.212 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.828 -8.452 -5.859 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.276 -11.265 -4.796 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.098 -10.843 -6.488 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -0.921 -11.610 -3.476 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.772 -9.226 -6.952 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.492 -10.722 -3.685 1.00 0.00 H new ATOM 102 N LEU A 7 -5.164 -7.722 -5.932 1.00 0.00 N ATOM 103 CA LEU A 7 -6.536 -7.303 -6.183 1.00 0.00 C ATOM 104 C LEU A 7 -7.035 -7.686 -7.575 1.00 0.00 C ATOM 105 O LEU A 7 -6.257 -7.938 -8.495 1.00 0.00 O ATOM 106 CB LEU A 7 -6.630 -5.775 -6.069 1.00 0.00 C ATOM 107 CG LEU A 7 -6.344 -5.208 -4.676 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.341 -3.682 -4.797 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.416 -5.629 -3.665 1.00 0.00 C ATOM 0 H LEU A 7 -4.476 -7.005 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.153 -7.812 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.930 -5.330 -6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.630 -5.465 -6.372 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.387 -5.589 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.140 -3.240 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.568 -3.374 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.313 -3.344 -5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.180 -5.208 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.389 -5.262 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.443 -6.716 -3.595 1.00 0.00 H new ATOM 121 N THR A 8 -8.362 -7.641 -7.716 1.00 0.00 N ATOM 122 CA THR A 8 -9.107 -7.825 -8.948 1.00 0.00 C ATOM 123 C THR A 8 -10.058 -6.635 -9.099 1.00 0.00 C ATOM 124 O THR A 8 -10.375 -5.967 -8.108 1.00 0.00 O ATOM 125 CB THR A 8 -9.903 -9.141 -8.916 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.944 -9.071 -7.960 1.00 0.00 O ATOM 127 CG2 THR A 8 -9.006 -10.344 -8.611 1.00 0.00 C ATOM 0 H THR A 8 -8.975 -7.464 -6.920 1.00 0.00 H new ATOM 0 HA THR A 8 -8.421 -7.878 -9.793 1.00 0.00 H new ATOM 0 HB THR A 8 -10.330 -9.280 -9.909 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.604 -8.666 -7.135 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.608 -11.253 -8.598 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.238 -10.429 -9.379 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.533 -10.208 -7.638 1.00 0.00 H new ATOM 135 N ASP A 9 -10.544 -6.388 -10.321 1.00 0.00 N ATOM 136 CA ASP A 9 -11.499 -5.326 -10.621 1.00 0.00 C ATOM 137 C ASP A 9 -12.695 -5.441 -9.671 1.00 0.00 C ATOM 138 O ASP A 9 -13.072 -4.482 -9.005 1.00 0.00 O ATOM 139 CB ASP A 9 -11.937 -5.440 -12.089 1.00 0.00 C ATOM 140 CG ASP A 9 -12.782 -4.254 -12.550 1.00 0.00 C ATOM 141 OD1 ASP A 9 -13.874 -4.065 -11.975 1.00 0.00 O ATOM 142 OD2 ASP A 9 -12.328 -3.567 -13.490 1.00 0.00 O ATOM 0 H ASP A 9 -10.277 -6.933 -11.141 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.040 -4.348 -10.476 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.053 -5.518 -12.722 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.507 -6.360 -12.223 1.00 0.00 H new ATOM 147 N ASP A 10 -13.263 -6.649 -9.608 1.00 0.00 N ATOM 148 CA ASP A 10 -14.408 -6.999 -8.780 1.00 0.00 C ATOM 149 C ASP A 10 -14.176 -6.647 -7.311 1.00 0.00 C ATOM 150 O ASP A 10 -15.060 -6.101 -6.655 1.00 0.00 O ATOM 151 CB ASP A 10 -14.698 -8.501 -8.917 1.00 0.00 C ATOM 152 CG ASP A 10 -14.945 -8.915 -10.365 1.00 0.00 C ATOM 153 OD1 ASP A 10 -13.944 -8.942 -11.116 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.119 -9.187 -10.693 1.00 0.00 O ATOM 0 H ASP A 10 -12.920 -7.437 -10.157 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.264 -6.420 -9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.857 -9.069 -8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.570 -8.757 -8.315 1.00 0.00 H new ATOM 159 N SER A 11 -12.996 -6.974 -6.779 1.00 0.00 N ATOM 160 CA SER A 11 -12.695 -6.730 -5.374 1.00 0.00 C ATOM 161 C SER A 11 -12.337 -5.266 -5.111 1.00 0.00 C ATOM 162 O SER A 11 -12.483 -4.797 -3.985 1.00 0.00 O ATOM 163 CB SER A 11 -11.526 -7.629 -4.958 1.00 0.00 C ATOM 164 OG SER A 11 -10.440 -7.491 -5.861 1.00 0.00 O ATOM 0 H SER A 11 -12.236 -7.408 -7.303 1.00 0.00 H new ATOM 0 HA SER A 11 -13.585 -6.958 -4.788 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.202 -7.370 -3.950 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.852 -8.669 -4.930 1.00 0.00 H new ATOM 0 HG SER A 11 -10.629 -6.765 -6.491 1.00 0.00 H new ATOM 170 N PHE A 12 -11.816 -4.577 -6.131 1.00 0.00 N ATOM 171 CA PHE A 12 -11.305 -3.219 -6.061 1.00 0.00 C ATOM 172 C PHE A 12 -12.042 -2.303 -5.089 1.00 0.00 C ATOM 173 O PHE A 12 -11.478 -1.916 -4.074 1.00 0.00 O ATOM 174 CB PHE A 12 -11.222 -2.603 -7.461 1.00 0.00 C ATOM 175 CG PHE A 12 -10.186 -1.511 -7.510 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.484 -0.224 -7.022 1.00 0.00 C ATOM 177 CD2 PHE A 12 -8.855 -1.870 -7.765 1.00 0.00 C ATOM 178 CE1 PHE A 12 -9.448 0.699 -6.811 1.00 0.00 C ATOM 179 CE2 PHE A 12 -7.838 -0.914 -7.659 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.130 0.369 -7.172 1.00 0.00 C ATOM 0 H PHE A 12 -11.739 -4.975 -7.067 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.302 -3.306 -5.643 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.975 -3.376 -8.188 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.195 -2.199 -7.743 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.507 0.052 -6.811 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.614 -2.885 -8.044 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.663 1.662 -6.372 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.829 -1.164 -7.952 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.343 1.102 -7.075 1.00 0.00 H new ATOM 190 N ASP A 13 -13.288 -1.933 -5.389 1.00 0.00 N ATOM 191 CA ASP A 13 -14.084 -1.035 -4.561 1.00 0.00 C ATOM 192 C ASP A 13 -14.100 -1.524 -3.112 1.00 0.00 C ATOM 193 O ASP A 13 -13.672 -0.817 -2.200 1.00 0.00 O ATOM 194 CB ASP A 13 -15.499 -0.951 -5.151 1.00 0.00 C ATOM 195 CG ASP A 13 -15.505 -0.340 -6.551 1.00 0.00 C ATOM 196 OD1 ASP A 13 -14.958 -1.002 -7.462 1.00 0.00 O ATOM 197 OD2 ASP A 13 -16.052 0.775 -6.686 1.00 0.00 O ATOM 0 H ASP A 13 -13.776 -2.254 -6.225 1.00 0.00 H new ATOM 0 HA ASP A 13 -13.646 -0.037 -4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.934 -1.950 -5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.130 -0.354 -4.493 1.00 0.00 H new ATOM 202 N THR A 14 -14.599 -2.738 -2.909 1.00 0.00 N ATOM 203 CA THR A 14 -14.738 -3.372 -1.615 1.00 0.00 C ATOM 204 C THR A 14 -13.448 -3.363 -0.793 1.00 0.00 C ATOM 205 O THR A 14 -13.491 -3.134 0.411 1.00 0.00 O ATOM 206 CB THR A 14 -15.237 -4.803 -1.859 1.00 0.00 C ATOM 207 OG1 THR A 14 -16.119 -4.798 -2.969 1.00 0.00 O ATOM 208 CG2 THR A 14 -15.960 -5.367 -0.633 1.00 0.00 C ATOM 0 H THR A 14 -14.929 -3.325 -3.675 1.00 0.00 H new ATOM 0 HA THR A 14 -15.451 -2.805 -1.017 1.00 0.00 H new ATOM 0 HB THR A 14 -14.374 -5.439 -2.057 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.645 -5.118 -3.765 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.298 -6.381 -0.845 1.00 0.00 H new ATOM 0 HG22 THR A 14 -15.278 -5.382 0.217 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.820 -4.740 -0.397 1.00 0.00 H new ATOM 216 N ASP A 15 -12.311 -3.642 -1.426 1.00 0.00 N ATOM 217 CA ASP A 15 -11.029 -3.729 -0.741 1.00 0.00 C ATOM 218 C ASP A 15 -10.397 -2.351 -0.557 1.00 0.00 C ATOM 219 O ASP A 15 -9.981 -1.994 0.540 1.00 0.00 O ATOM 220 CB ASP A 15 -10.076 -4.632 -1.539 1.00 0.00 C ATOM 221 CG ASP A 15 -10.431 -6.117 -1.468 1.00 0.00 C ATOM 222 OD1 ASP A 15 -11.639 -6.439 -1.484 1.00 0.00 O ATOM 223 OD2 ASP A 15 -9.472 -6.918 -1.422 1.00 0.00 O ATOM 0 H ASP A 15 -12.255 -3.814 -2.430 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.204 -4.155 0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.079 -4.316 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.061 -4.492 -1.167 1.00 0.00 H new ATOM 228 N VAL A 16 -10.268 -1.605 -1.652 1.00 0.00 N ATOM 229 CA VAL A 16 -9.568 -0.334 -1.711 1.00 0.00 C ATOM 230 C VAL A 16 -10.392 0.829 -1.181 1.00 0.00 C ATOM 231 O VAL A 16 -9.967 1.518 -0.255 1.00 0.00 O ATOM 232 CB VAL A 16 -9.091 -0.060 -3.149 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.301 1.251 -3.229 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.204 -1.203 -3.652 1.00 0.00 C ATOM 0 H VAL A 16 -10.663 -1.883 -2.550 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.704 -0.416 -1.052 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.979 0.018 -3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.977 1.418 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.935 2.078 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.428 1.190 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.878 -0.989 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.333 -1.299 -3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.770 -2.135 -3.640 1.00 0.00 H new ATOM 244 N LEU A 17 -11.559 1.081 -1.772 1.00 0.00 N ATOM 245 CA LEU A 17 -12.352 2.245 -1.401 1.00 0.00 C ATOM 246 C LEU A 17 -12.791 2.183 0.061 1.00 0.00 C ATOM 247 O LEU A 17 -12.882 3.216 0.718 1.00 0.00 O ATOM 248 CB LEU A 17 -13.520 2.429 -2.382 1.00 0.00 C ATOM 249 CG LEU A 17 -13.080 2.690 -3.833 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.339 2.859 -4.690 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.209 3.945 -3.972 1.00 0.00 C ATOM 0 H LEU A 17 -11.971 0.500 -2.502 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.729 3.136 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.146 1.537 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.137 3.261 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.477 1.843 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.052 3.045 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.939 1.951 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.922 3.701 -4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.928 4.079 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.769 4.816 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.310 3.833 -3.366 1.00 0.00 H new ATOM 263 N LYS A 18 -13.035 0.979 0.588 1.00 0.00 N ATOM 264 CA LYS A 18 -13.411 0.821 1.988 1.00 0.00 C ATOM 265 C LYS A 18 -12.195 0.855 2.929 1.00 0.00 C ATOM 266 O LYS A 18 -12.377 0.817 4.145 1.00 0.00 O ATOM 267 CB LYS A 18 -14.198 -0.481 2.181 1.00 0.00 C ATOM 268 CG LYS A 18 -15.311 -0.714 1.146 1.00 0.00 C ATOM 269 CD LYS A 18 -16.381 0.384 1.164 1.00 0.00 C ATOM 270 CE LYS A 18 -17.442 0.147 0.082 1.00 0.00 C ATOM 271 NZ LYS A 18 -18.175 -1.115 0.288 1.00 0.00 N ATOM 0 H LYS A 18 -12.978 0.105 0.065 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.043 1.669 2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.503 -1.320 2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.641 -0.479 3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.869 -0.768 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.783 -1.678 1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.858 0.414 2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.911 1.355 1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -18.147 0.978 0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.963 0.131 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.978 -1.161 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.538 -1.919 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.527 -1.157 1.266 1.00 0.00 H new ATOM 314 N ALA A 22 -4.107 3.548 4.523 1.00 0.00 N ATOM 315 CA ALA A 22 -3.349 3.940 3.340 1.00 0.00 C ATOM 316 C ALA A 22 -3.078 2.706 2.489 1.00 0.00 C ATOM 317 O ALA A 22 -2.371 1.805 2.942 1.00 0.00 O ATOM 318 CB ALA A 22 -2.047 4.611 3.784 1.00 0.00 C ATOM 0 HA ALA A 22 -3.914 4.651 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.473 4.908 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.278 5.493 4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.462 3.911 4.380 1.00 0.00 H new ATOM 324 N ILE A 23 -3.623 2.662 1.269 1.00 0.00 N ATOM 325 CA ILE A 23 -3.419 1.563 0.331 1.00 0.00 C ATOM 326 C ILE A 23 -2.616 2.079 -0.861 1.00 0.00 C ATOM 327 O ILE A 23 -2.942 3.134 -1.398 1.00 0.00 O ATOM 328 CB ILE A 23 -4.765 0.917 -0.079 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.093 -0.223 0.895 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.742 0.383 -1.520 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.375 -0.981 0.565 1.00 0.00 C ATOM 0 H ILE A 23 -4.225 3.400 0.904 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.847 0.766 0.807 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.534 1.688 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.261 -0.927 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.176 0.187 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.709 -0.060 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.538 1.203 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.963 -0.373 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.532 -1.769 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.220 -0.293 0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.290 -1.424 -0.427 1.00 0.00 H new ATOM 343 N LEU A 24 -1.593 1.335 -1.292 1.00 0.00 N ATOM 344 CA LEU A 24 -0.773 1.684 -2.449 1.00 0.00 C ATOM 345 C LEU A 24 -0.991 0.620 -3.514 1.00 0.00 C ATOM 346 O LEU A 24 -0.423 -0.464 -3.407 1.00 0.00 O ATOM 347 CB LEU A 24 0.697 1.796 -2.019 1.00 0.00 C ATOM 348 CG LEU A 24 1.685 2.303 -3.087 1.00 0.00 C ATOM 349 CD1 LEU A 24 2.095 1.249 -4.122 1.00 0.00 C ATOM 350 CD2 LEU A 24 1.185 3.565 -3.788 1.00 0.00 C ATOM 0 H LEU A 24 -1.310 0.465 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.055 2.651 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.752 2.463 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.031 0.814 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 24 2.584 2.547 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.791 1.691 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.576 0.411 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.210 0.895 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.916 3.882 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.235 3.356 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.046 4.358 -3.054 1.00 0.00 H new ATOM 362 N VAL A 25 -1.803 0.914 -4.532 1.00 0.00 N ATOM 363 CA VAL A 25 -2.075 -0.038 -5.600 1.00 0.00 C ATOM 364 C VAL A 25 -1.099 0.173 -6.754 1.00 0.00 C ATOM 365 O VAL A 25 -1.144 1.202 -7.429 1.00 0.00 O ATOM 366 CB VAL A 25 -3.520 0.053 -6.112 1.00 0.00 C ATOM 367 CG1 VAL A 25 -3.762 -1.115 -7.079 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.564 -0.001 -4.996 1.00 0.00 C ATOM 0 H VAL A 25 -2.283 1.808 -4.635 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.941 -1.036 -5.182 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.634 1.020 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.784 -1.070 -7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.064 -1.047 -7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.610 -2.059 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.562 0.068 -5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.468 -0.941 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.407 0.832 -4.310 1.00 0.00 H new ATOM 378 N ASP A 26 -0.255 -0.830 -6.996 1.00 0.00 N ATOM 379 CA ASP A 26 0.682 -0.876 -8.102 1.00 0.00 C ATOM 380 C ASP A 26 0.021 -1.623 -9.260 1.00 0.00 C ATOM 381 O ASP A 26 -0.094 -2.851 -9.214 1.00 0.00 O ATOM 382 CB ASP A 26 1.961 -1.590 -7.658 1.00 0.00 C ATOM 383 CG ASP A 26 2.844 -1.941 -8.850 1.00 0.00 C ATOM 384 OD1 ASP A 26 3.783 -1.220 -9.165 1.00 0.00 O ATOM 385 OD2 ASP A 26 2.552 -3.079 -9.539 1.00 0.00 O ATOM 0 H ASP A 26 -0.209 -1.658 -6.403 1.00 0.00 H new ATOM 0 HA ASP A 26 0.947 0.131 -8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.515 -0.953 -6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.702 -2.499 -7.115 1.00 0.00 H new ATOM 391 N PHE A 27 -0.367 -0.905 -10.308 1.00 0.00 N ATOM 392 CA PHE A 27 -0.972 -1.508 -11.487 1.00 0.00 C ATOM 393 C PHE A 27 0.141 -2.093 -12.352 1.00 0.00 C ATOM 394 O PHE A 27 1.084 -1.372 -12.682 1.00 0.00 O ATOM 395 CB PHE A 27 -1.787 -0.455 -12.240 1.00 0.00 C ATOM 396 CG PHE A 27 -3.042 -0.048 -11.495 1.00 0.00 C ATOM 397 CD1 PHE A 27 -2.958 0.773 -10.356 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.287 -0.589 -11.866 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.106 1.038 -9.596 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.436 -0.311 -11.105 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.348 0.508 -9.972 1.00 0.00 C ATOM 0 H PHE A 27 -0.271 0.109 -10.363 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.655 -2.311 -11.209 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.168 0.426 -12.409 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.061 -0.845 -13.220 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.009 1.199 -10.067 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.360 -1.220 -12.739 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.033 1.656 -8.713 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.388 -0.730 -11.395 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.232 0.730 -9.392 1.00 0.00 H new ATOM 411 N TRP A 28 0.041 -3.380 -12.702 1.00 0.00 N ATOM 412 CA TRP A 28 1.045 -4.083 -13.493 1.00 0.00 C ATOM 413 C TRP A 28 0.407 -4.948 -14.576 1.00 0.00 C ATOM 414 O TRP A 28 -0.817 -5.028 -14.676 1.00 0.00 O ATOM 415 CB TRP A 28 1.942 -4.918 -12.564 1.00 0.00 C ATOM 416 CG TRP A 28 1.284 -6.080 -11.882 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.509 -6.022 -10.778 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.320 -7.488 -12.260 1.00 0.00 C ATOM 419 NE1 TRP A 28 0.030 -7.280 -10.476 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.487 -8.225 -11.370 1.00 0.00 C ATOM 421 CE3 TRP A 28 1.996 -8.220 -13.254 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.290 -9.609 -11.497 1.00 0.00 C ATOM 423 CZ3 TRP A 28 1.786 -9.600 -13.411 1.00 0.00 C ATOM 424 CH2 TRP A 28 0.906 -10.290 -12.561 1.00 0.00 C ATOM 0 H TRP A 28 -0.751 -3.966 -12.438 1.00 0.00 H new ATOM 0 HA TRP A 28 1.660 -3.344 -14.007 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.784 -5.293 -13.146 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.352 -4.259 -11.799 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.296 -5.125 -10.215 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.586 -7.485 -9.689 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.689 -7.711 -13.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.326 -10.142 -10.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.306 -10.135 -14.192 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.704 -11.338 -12.724 1.00 0.00 H new ATOM 435 N ALA A 29 1.249 -5.605 -15.378 1.00 0.00 N ATOM 436 CA ALA A 29 0.864 -6.515 -16.445 1.00 0.00 C ATOM 437 C ALA A 29 1.955 -7.569 -16.590 1.00 0.00 C ATOM 438 O ALA A 29 3.113 -7.298 -16.276 1.00 0.00 O ATOM 439 CB ALA A 29 0.707 -5.758 -17.763 1.00 0.00 C ATOM 0 H ALA A 29 2.261 -5.509 -15.293 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.090 -6.982 -16.202 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.419 -6.454 -18.550 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.063 -4.994 -17.654 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.653 -5.285 -18.026 1.00 0.00 H new ATOM 445 N GLU A 30 1.603 -8.754 -17.088 1.00 0.00 N ATOM 446 CA GLU A 30 2.528 -9.866 -17.279 1.00 0.00 C ATOM 447 C GLU A 30 3.761 -9.458 -18.095 1.00 0.00 C ATOM 448 O GLU A 30 4.865 -9.930 -17.840 1.00 0.00 O ATOM 449 CB GLU A 30 1.780 -11.048 -17.919 1.00 0.00 C ATOM 450 CG GLU A 30 2.118 -12.381 -17.237 1.00 0.00 C ATOM 451 CD GLU A 30 1.530 -12.464 -15.829 1.00 0.00 C ATOM 452 OE1 GLU A 30 0.306 -12.236 -15.709 1.00 0.00 O ATOM 453 OE2 GLU A 30 2.318 -12.744 -14.900 1.00 0.00 O ATOM 0 H GLU A 30 0.648 -8.970 -17.375 1.00 0.00 H new ATOM 0 HA GLU A 30 2.905 -10.176 -16.304 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.706 -10.872 -17.859 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.034 -11.108 -18.977 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.735 -13.205 -17.840 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.200 -12.499 -17.186 1.00 0.00 H new ATOM 460 N TRP A 31 3.561 -8.574 -19.073 1.00 0.00 N ATOM 461 CA TRP A 31 4.597 -8.065 -19.966 1.00 0.00 C ATOM 462 C TRP A 31 5.293 -6.808 -19.416 1.00 0.00 C ATOM 463 O TRP A 31 6.218 -6.291 -20.041 1.00 0.00 O ATOM 464 CB TRP A 31 3.943 -7.785 -21.328 1.00 0.00 C ATOM 465 CG TRP A 31 2.673 -6.984 -21.288 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.424 -7.503 -21.245 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.501 -5.535 -21.251 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.500 -6.486 -21.166 1.00 0.00 N ATOM 469 CE2 TRP A 31 1.105 -5.246 -21.183 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.383 -4.429 -21.256 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.609 -3.935 -21.134 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.895 -3.111 -21.209 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.512 -2.862 -21.160 1.00 0.00 C ATOM 0 H TRP A 31 2.641 -8.180 -19.270 1.00 0.00 H new ATOM 0 HA TRP A 31 5.383 -8.814 -20.062 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.663 -7.259 -21.955 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.734 -8.739 -21.813 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.188 -8.557 -21.269 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.508 -6.631 -21.103 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.449 -4.600 -21.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.454 -3.754 -21.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.588 -2.283 -21.211 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.146 -1.846 -21.142 1.00 0.00 H new ATOM 484 N CYS A 32 4.875 -6.293 -18.256 1.00 0.00 N ATOM 485 CA CYS A 32 5.448 -5.073 -17.706 1.00 0.00 C ATOM 486 C CYS A 32 6.786 -5.338 -17.015 1.00 0.00 C ATOM 487 O CYS A 32 6.869 -5.388 -15.788 1.00 0.00 O ATOM 488 CB CYS A 32 4.471 -4.417 -16.736 1.00 0.00 C ATOM 489 SG CYS A 32 5.089 -2.863 -16.055 1.00 0.00 S ATOM 0 H CYS A 32 4.140 -6.707 -17.683 1.00 0.00 H new ATOM 0 HA CYS A 32 5.634 -4.393 -18.537 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.527 -4.233 -17.249 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.260 -5.107 -15.919 1.00 0.00 H new ATOM 494 N GLY A 33 7.849 -5.490 -17.807 1.00 0.00 N ATOM 495 CA GLY A 33 9.208 -5.689 -17.309 1.00 0.00 C ATOM 496 C GLY A 33 9.531 -4.779 -16.110 1.00 0.00 C ATOM 497 O GLY A 33 9.863 -5.281 -15.036 1.00 0.00 O ATOM 0 H GLY A 33 7.788 -5.478 -18.825 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.336 -6.731 -17.016 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.919 -5.494 -18.112 1.00 0.00 H new ATOM 501 N PRO A 34 9.422 -3.446 -16.255 1.00 0.00 N ATOM 502 CA PRO A 34 9.677 -2.502 -15.175 1.00 0.00 C ATOM 503 C PRO A 34 8.889 -2.817 -13.897 1.00 0.00 C ATOM 504 O PRO A 34 9.406 -2.641 -12.797 1.00 0.00 O ATOM 505 CB PRO A 34 9.316 -1.122 -15.733 1.00 0.00 C ATOM 506 CG PRO A 34 9.505 -1.293 -17.239 1.00 0.00 C ATOM 507 CD PRO A 34 9.056 -2.734 -17.471 1.00 0.00 C ATOM 0 HA PRO A 34 10.721 -2.556 -14.867 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.292 -0.843 -15.485 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.965 -0.343 -15.332 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.901 -0.584 -17.806 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.542 -1.139 -17.537 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.982 -2.788 -17.651 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.548 -3.165 -18.343 1.00 0.00 H new ATOM 515 N CYS A 35 7.653 -3.312 -14.029 1.00 0.00 N ATOM 516 CA CYS A 35 6.838 -3.678 -12.877 1.00 0.00 C ATOM 517 C CYS A 35 7.550 -4.801 -12.127 1.00 0.00 C ATOM 518 O CYS A 35 7.692 -4.754 -10.907 1.00 0.00 O ATOM 519 CB CYS A 35 5.414 -4.114 -13.248 1.00 0.00 C ATOM 520 SG CYS A 35 4.353 -2.928 -14.117 1.00 0.00 S ATOM 0 H CYS A 35 7.198 -3.467 -14.929 1.00 0.00 H new ATOM 0 HA CYS A 35 6.725 -2.791 -12.253 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.490 -5.008 -13.867 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.905 -4.405 -12.329 1.00 0.00 H new ATOM 525 N LYS A 36 8.039 -5.798 -12.871 1.00 0.00 N ATOM 526 CA LYS A 36 8.790 -6.900 -12.284 1.00 0.00 C ATOM 527 C LYS A 36 10.044 -6.357 -11.600 1.00 0.00 C ATOM 528 O LYS A 36 10.370 -6.781 -10.496 1.00 0.00 O ATOM 529 CB LYS A 36 9.163 -7.966 -13.326 1.00 0.00 C ATOM 530 CG LYS A 36 8.026 -8.386 -14.267 1.00 0.00 C ATOM 531 CD LYS A 36 6.760 -8.844 -13.529 1.00 0.00 C ATOM 532 CE LYS A 36 5.655 -9.221 -14.522 1.00 0.00 C ATOM 533 NZ LYS A 36 6.021 -10.392 -15.338 1.00 0.00 N ATOM 0 H LYS A 36 7.925 -5.860 -13.883 1.00 0.00 H new ATOM 0 HA LYS A 36 8.152 -7.387 -11.546 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.990 -7.589 -13.927 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.526 -8.851 -12.803 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.775 -7.548 -14.918 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.376 -9.195 -14.909 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.993 -9.700 -12.896 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.409 -8.048 -12.873 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.735 -9.432 -13.977 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.451 -8.373 -15.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.861 -10.179 -16.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.025 -10.619 -15.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.436 -11.206 -15.059 1.00 0.00 H new ATOM 547 N MET A 37 10.742 -5.414 -12.241 1.00 0.00 N ATOM 548 CA MET A 37 11.939 -4.817 -11.661 1.00 0.00 C ATOM 549 C MET A 37 11.628 -4.147 -10.317 1.00 0.00 C ATOM 550 O MET A 37 12.377 -4.334 -9.360 1.00 0.00 O ATOM 551 CB MET A 37 12.603 -3.832 -12.635 1.00 0.00 C ATOM 552 CG MET A 37 13.120 -4.504 -13.916 1.00 0.00 C ATOM 553 SD MET A 37 14.300 -5.868 -13.724 1.00 0.00 S ATOM 554 CE MET A 37 15.653 -5.039 -12.860 1.00 0.00 C ATOM 0 H MET A 37 10.495 -5.051 -13.162 1.00 0.00 H new ATOM 0 HA MET A 37 12.651 -5.621 -11.474 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.885 -3.057 -12.903 1.00 0.00 H new ATOM 0 HB3 MET A 37 13.433 -3.337 -12.131 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.260 -4.878 -14.471 1.00 0.00 H new ATOM 0 HG3 MET A 37 13.589 -3.737 -14.533 1.00 0.00 H new ATOM 0 HE1 MET A 37 16.484 -5.733 -12.735 1.00 0.00 H new ATOM 0 HE2 MET A 37 15.983 -4.179 -13.442 1.00 0.00 H new ATOM 0 HE3 MET A 37 15.309 -4.705 -11.881 1.00 0.00 H new ATOM 564 N ILE A 38 10.545 -3.364 -10.226 1.00 0.00 N ATOM 565 CA ILE A 38 10.203 -2.705 -8.964 1.00 0.00 C ATOM 566 C ILE A 38 9.569 -3.668 -7.948 1.00 0.00 C ATOM 567 O ILE A 38 9.676 -3.418 -6.750 1.00 0.00 O ATOM 568 CB ILE A 38 9.391 -1.413 -9.163 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.989 -1.687 -9.721 1.00 0.00 C ATOM 570 CG2 ILE A 38 10.170 -0.434 -10.055 1.00 0.00 C ATOM 571 CD1 ILE A 38 7.138 -0.421 -9.850 1.00 0.00 C ATOM 0 H ILE A 38 9.903 -3.175 -10.996 1.00 0.00 H new ATOM 0 HA ILE A 38 11.148 -2.388 -8.523 1.00 0.00 H new ATOM 0 HB ILE A 38 9.246 -0.955 -8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.079 -2.159 -10.700 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.478 -2.397 -9.071 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.588 0.477 -10.190 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.122 -0.190 -9.583 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.354 -0.894 -11.026 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.158 -0.681 -10.250 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.019 0.039 -8.869 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.630 0.281 -10.523 1.00 0.00 H new ATOM 583 N ALA A 39 8.914 -4.752 -8.384 1.00 0.00 N ATOM 584 CA ALA A 39 8.284 -5.742 -7.505 1.00 0.00 C ATOM 585 C ALA A 39 9.040 -6.014 -6.188 1.00 0.00 C ATOM 586 O ALA A 39 8.449 -5.810 -5.126 1.00 0.00 O ATOM 587 CB ALA A 39 7.965 -7.033 -8.268 1.00 0.00 C ATOM 0 H ALA A 39 8.806 -4.968 -9.375 1.00 0.00 H new ATOM 0 HA ALA A 39 7.346 -5.290 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.499 -7.749 -7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.283 -6.811 -9.089 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.887 -7.457 -8.667 1.00 0.00 H new ATOM 593 N PRO A 40 10.319 -6.438 -6.196 1.00 0.00 N ATOM 594 CA PRO A 40 11.078 -6.651 -4.967 1.00 0.00 C ATOM 595 C PRO A 40 11.100 -5.397 -4.086 1.00 0.00 C ATOM 596 O PRO A 40 10.934 -5.495 -2.872 1.00 0.00 O ATOM 597 CB PRO A 40 12.486 -7.079 -5.398 1.00 0.00 C ATOM 598 CG PRO A 40 12.592 -6.585 -6.840 1.00 0.00 C ATOM 599 CD PRO A 40 11.161 -6.728 -7.346 1.00 0.00 C ATOM 0 HA PRO A 40 10.614 -7.421 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.252 -6.631 -4.764 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.612 -8.160 -5.335 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.939 -5.553 -6.891 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.290 -7.185 -7.424 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.962 -6.036 -8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.976 -7.733 -7.726 1.00 0.00 H new ATOM 607 N ILE A 41 11.241 -4.209 -4.682 1.00 0.00 N ATOM 608 CA ILE A 41 11.205 -2.960 -3.936 1.00 0.00 C ATOM 609 C ILE A 41 9.842 -2.861 -3.249 1.00 0.00 C ATOM 610 O ILE A 41 9.778 -2.617 -2.047 1.00 0.00 O ATOM 611 CB ILE A 41 11.492 -1.733 -4.828 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.782 -1.917 -5.651 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.604 -0.484 -3.944 1.00 0.00 C ATOM 614 CD1 ILE A 41 13.068 -0.734 -6.581 1.00 0.00 C ATOM 0 H ILE A 41 11.382 -4.092 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 41 11.998 -2.961 -3.188 1.00 0.00 H new ATOM 0 HB ILE A 41 10.669 -1.619 -5.533 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.624 -2.051 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.702 -2.828 -6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.807 0.386 -4.568 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.668 -0.334 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.417 -0.616 -3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.988 -0.920 -7.134 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.241 -0.614 -7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.178 0.175 -5.990 1.00 0.00 H new ATOM 626 N LEU A 42 8.753 -3.084 -3.994 1.00 0.00 N ATOM 627 CA LEU A 42 7.408 -3.055 -3.420 1.00 0.00 C ATOM 628 C LEU A 42 7.305 -4.046 -2.258 1.00 0.00 C ATOM 629 O LEU A 42 6.731 -3.724 -1.222 1.00 0.00 O ATOM 630 CB LEU A 42 6.319 -3.356 -4.460 1.00 0.00 C ATOM 631 CG LEU A 42 6.391 -2.512 -5.741 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.278 -2.950 -6.692 1.00 0.00 C ATOM 633 CD2 LEU A 42 6.261 -1.013 -5.452 1.00 0.00 C ATOM 0 H LEU A 42 8.779 -3.286 -4.993 1.00 0.00 H new ATOM 0 HA LEU A 42 7.240 -2.042 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.381 -4.409 -4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.344 -3.203 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 42 7.368 -2.674 -6.196 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.323 -2.355 -7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.405 -4.004 -6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.311 -2.804 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.318 -0.456 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.303 -0.817 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.070 -0.698 -4.793 1.00 0.00 H new ATOM 645 N ASP A 43 7.861 -5.250 -2.418 1.00 0.00 N ATOM 646 CA ASP A 43 7.847 -6.270 -1.373 1.00 0.00 C ATOM 647 C ASP A 43 8.582 -5.750 -0.131 1.00 0.00 C ATOM 648 O ASP A 43 8.072 -5.844 0.983 1.00 0.00 O ATOM 649 CB ASP A 43 8.446 -7.585 -1.891 1.00 0.00 C ATOM 650 CG ASP A 43 7.701 -8.160 -3.095 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.452 -8.124 -3.070 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.390 -8.655 -4.013 1.00 0.00 O ATOM 0 H ASP A 43 8.332 -5.542 -3.274 1.00 0.00 H new ATOM 0 HA ASP A 43 6.817 -6.482 -1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.488 -7.418 -2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.441 -8.320 -1.086 1.00 0.00 H new ATOM 657 N GLU A 44 9.773 -5.175 -0.314 1.00 0.00 N ATOM 658 CA GLU A 44 10.527 -4.590 0.787 1.00 0.00 C ATOM 659 C GLU A 44 9.689 -3.500 1.467 1.00 0.00 C ATOM 660 O GLU A 44 9.551 -3.502 2.688 1.00 0.00 O ATOM 661 CB GLU A 44 11.878 -4.050 0.293 1.00 0.00 C ATOM 662 CG GLU A 44 13.005 -5.082 0.448 1.00 0.00 C ATOM 663 CD GLU A 44 12.815 -6.330 -0.411 1.00 0.00 C ATOM 664 OE1 GLU A 44 12.145 -7.264 0.086 1.00 0.00 O ATOM 665 OE2 GLU A 44 13.375 -6.342 -1.529 1.00 0.00 O ATOM 0 H GLU A 44 10.234 -5.104 -1.221 1.00 0.00 H new ATOM 0 HA GLU A 44 10.742 -5.361 1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.792 -3.763 -0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.133 -3.149 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.954 -4.613 0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.073 -5.379 1.495 1.00 0.00 H new ATOM 672 N ILE A 45 9.103 -2.590 0.687 1.00 0.00 N ATOM 673 CA ILE A 45 8.238 -1.538 1.207 1.00 0.00 C ATOM 674 C ILE A 45 7.098 -2.156 2.023 1.00 0.00 C ATOM 675 O ILE A 45 6.826 -1.699 3.131 1.00 0.00 O ATOM 676 CB ILE A 45 7.719 -0.653 0.059 1.00 0.00 C ATOM 677 CG1 ILE A 45 8.838 0.186 -0.586 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.551 0.245 0.487 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.452 1.271 0.302 1.00 0.00 C ATOM 0 H ILE A 45 9.218 -2.565 -0.326 1.00 0.00 H new ATOM 0 HA ILE A 45 8.810 -0.893 1.875 1.00 0.00 H new ATOM 0 HB ILE A 45 7.343 -1.344 -0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.633 -0.488 -0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.440 0.659 -1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.225 0.847 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.723 -0.375 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.874 0.901 1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.228 1.799 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.677 1.976 0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.889 0.811 1.189 1.00 0.00 H new ATOM 691 N ALA A 46 6.443 -3.193 1.493 1.00 0.00 N ATOM 692 CA ALA A 46 5.355 -3.883 2.174 1.00 0.00 C ATOM 693 C ALA A 46 5.793 -4.348 3.562 1.00 0.00 C ATOM 694 O ALA A 46 4.998 -4.311 4.498 1.00 0.00 O ATOM 695 CB ALA A 46 4.845 -5.055 1.329 1.00 0.00 C ATOM 0 H ALA A 46 6.658 -3.576 0.573 1.00 0.00 H new ATOM 0 HA ALA A 46 4.531 -3.182 2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.033 -5.557 1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.481 -4.682 0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.658 -5.761 1.158 1.00 0.00 H new ATOM 701 N ASP A 47 7.054 -4.766 3.706 1.00 0.00 N ATOM 702 CA ASP A 47 7.590 -5.164 4.997 1.00 0.00 C ATOM 703 C ASP A 47 7.872 -3.925 5.855 1.00 0.00 C ATOM 704 O ASP A 47 7.320 -3.778 6.943 1.00 0.00 O ATOM 705 CB ASP A 47 8.847 -6.016 4.803 1.00 0.00 C ATOM 706 CG ASP A 47 9.377 -6.500 6.146 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.806 -7.492 6.648 1.00 0.00 O ATOM 708 OD2 ASP A 47 10.331 -5.868 6.647 1.00 0.00 O ATOM 0 H ASP A 47 7.720 -4.835 2.936 1.00 0.00 H new ATOM 0 HA ASP A 47 6.854 -5.772 5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.619 -6.871 4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.613 -5.433 4.292 1.00 0.00 H new ATOM 713 N GLU A 48 8.733 -3.031 5.361 1.00 0.00 N ATOM 714 CA GLU A 48 9.153 -1.821 6.052 1.00 0.00 C ATOM 715 C GLU A 48 7.981 -1.002 6.599 1.00 0.00 C ATOM 716 O GLU A 48 8.033 -0.518 7.726 1.00 0.00 O ATOM 717 CB GLU A 48 10.009 -0.978 5.100 1.00 0.00 C ATOM 718 CG GLU A 48 11.377 -1.624 4.841 1.00 0.00 C ATOM 719 CD GLU A 48 12.156 -0.887 3.755 1.00 0.00 C ATOM 720 OE1 GLU A 48 12.213 0.360 3.827 1.00 0.00 O ATOM 721 OE2 GLU A 48 12.685 -1.587 2.865 1.00 0.00 O ATOM 0 H GLU A 48 9.166 -3.137 4.444 1.00 0.00 H new ATOM 0 HA GLU A 48 9.737 -2.120 6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.482 -0.850 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.151 0.017 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.957 -1.629 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.238 -2.664 4.546 1.00 0.00 H new ATOM 728 N TYR A 49 6.934 -0.835 5.791 1.00 0.00 N ATOM 729 CA TYR A 49 5.747 -0.069 6.141 1.00 0.00 C ATOM 730 C TYR A 49 4.582 -0.985 6.530 1.00 0.00 C ATOM 731 O TYR A 49 3.431 -0.547 6.489 1.00 0.00 O ATOM 732 CB TYR A 49 5.361 0.846 4.966 1.00 0.00 C ATOM 733 CG TYR A 49 6.332 1.973 4.668 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.527 1.715 3.973 1.00 0.00 C ATOM 735 CD2 TYR A 49 6.006 3.296 5.023 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.402 2.768 3.655 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.864 4.354 4.672 1.00 0.00 C ATOM 738 CZ TYR A 49 8.064 4.089 3.994 1.00 0.00 C ATOM 739 OH TYR A 49 8.892 5.119 3.668 1.00 0.00 O ATOM 0 H TYR A 49 6.891 -1.239 4.855 1.00 0.00 H new ATOM 0 HA TYR A 49 5.974 0.546 7.012 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.257 0.233 4.070 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.382 1.279 5.172 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.773 0.704 3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.095 3.499 5.566 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.334 2.562 3.150 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.599 5.370 4.924 1.00 0.00 H new ATOM 0 HH TYR A 49 8.502 5.963 3.977 1.00 0.00 H new ATOM 749 N GLN A 50 4.835 -2.240 6.918 1.00 0.00 N ATOM 750 CA GLN A 50 3.764 -3.143 7.305 1.00 0.00 C ATOM 751 C GLN A 50 2.950 -2.514 8.438 1.00 0.00 C ATOM 752 O GLN A 50 3.509 -2.093 9.448 1.00 0.00 O ATOM 753 CB GLN A 50 4.366 -4.496 7.706 1.00 0.00 C ATOM 754 CG GLN A 50 3.321 -5.577 7.995 1.00 0.00 C ATOM 755 CD GLN A 50 2.414 -5.954 6.822 1.00 0.00 C ATOM 756 OE1 GLN A 50 1.341 -6.505 7.036 1.00 0.00 O ATOM 757 NE2 GLN A 50 2.798 -5.670 5.580 1.00 0.00 N ATOM 0 H GLN A 50 5.770 -2.645 6.970 1.00 0.00 H new ATOM 0 HA GLN A 50 3.085 -3.314 6.469 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.022 -4.842 6.907 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.987 -4.359 8.591 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.838 -6.475 8.334 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.695 -5.239 8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.694 -5.211 5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.196 -5.911 4.792 1.00 0.00 H new ATOM 766 N GLY A 51 1.630 -2.408 8.255 1.00 0.00 N ATOM 767 CA GLY A 51 0.740 -1.798 9.233 1.00 0.00 C ATOM 768 C GLY A 51 0.559 -0.294 9.006 1.00 0.00 C ATOM 769 O GLY A 51 -0.428 0.270 9.472 1.00 0.00 O ATOM 0 H GLY A 51 1.152 -2.746 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.233 -2.288 9.189 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.137 -1.966 10.234 1.00 0.00 H new ATOM 773 N LYS A 52 1.476 0.357 8.281 1.00 0.00 N ATOM 774 CA LYS A 52 1.400 1.781 7.972 1.00 0.00 C ATOM 775 C LYS A 52 0.844 1.964 6.562 1.00 0.00 C ATOM 776 O LYS A 52 -0.037 2.793 6.344 1.00 0.00 O ATOM 777 CB LYS A 52 2.792 2.425 8.057 1.00 0.00 C ATOM 778 CG LYS A 52 3.409 2.321 9.456 1.00 0.00 C ATOM 779 CD LYS A 52 4.818 2.937 9.501 1.00 0.00 C ATOM 780 CE LYS A 52 4.876 4.422 9.102 1.00 0.00 C ATOM 781 NZ LYS A 52 3.963 5.246 9.914 1.00 0.00 N ATOM 0 H LYS A 52 2.300 -0.100 7.890 1.00 0.00 H new ATOM 0 HA LYS A 52 0.744 2.263 8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.454 1.945 7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.720 3.475 7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.767 2.828 10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.459 1.274 9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.217 2.829 10.510 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.471 2.369 8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.896 4.789 9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.617 4.525 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.093 6.249 9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.980 4.968 9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.171 5.103 10.923 1.00 0.00 H new ATOM 795 N LEU A 53 1.374 1.196 5.608 1.00 0.00 N ATOM 796 CA LEU A 53 0.998 1.241 4.206 1.00 0.00 C ATOM 797 C LEU A 53 0.640 -0.171 3.754 1.00 0.00 C ATOM 798 O LEU A 53 1.449 -1.091 3.865 1.00 0.00 O ATOM 799 CB LEU A 53 2.191 1.761 3.397 1.00 0.00 C ATOM 800 CG LEU A 53 1.853 2.035 1.925 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.169 3.399 1.780 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.156 2.016 1.125 1.00 0.00 C ATOM 0 H LEU A 53 2.099 0.506 5.803 1.00 0.00 H new ATOM 0 HA LEU A 53 0.142 1.899 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.559 2.679 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.000 1.033 3.447 1.00 0.00 H new ATOM 0 HG LEU A 53 1.170 1.272 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.935 3.579 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.248 3.408 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.836 4.181 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.941 2.209 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.827 2.786 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.630 1.040 1.225 1.00 0.00 H new ATOM 814 N THR A 54 -0.566 -0.335 3.221 1.00 0.00 N ATOM 815 CA THR A 54 -1.051 -1.596 2.697 1.00 0.00 C ATOM 816 C THR A 54 -0.721 -1.621 1.202 1.00 0.00 C ATOM 817 O THR A 54 -1.401 -0.995 0.390 1.00 0.00 O ATOM 818 CB THR A 54 -2.547 -1.682 3.016 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.715 -1.666 4.418 1.00 0.00 O ATOM 820 CG2 THR A 54 -3.210 -2.944 2.465 1.00 0.00 C ATOM 0 H THR A 54 -1.243 0.423 3.142 1.00 0.00 H new ATOM 0 HA THR A 54 -0.582 -2.473 3.144 1.00 0.00 H new ATOM 0 HB THR A 54 -3.025 -0.827 2.538 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.670 -1.719 4.634 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.268 -2.943 2.726 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.104 -2.967 1.380 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.731 -3.824 2.895 1.00 0.00 H new ATOM 828 N VAL A 55 0.343 -2.328 0.820 1.00 0.00 N ATOM 829 CA VAL A 55 0.746 -2.397 -0.576 1.00 0.00 C ATOM 830 C VAL A 55 -0.165 -3.400 -1.288 1.00 0.00 C ATOM 831 O VAL A 55 -0.502 -4.452 -0.741 1.00 0.00 O ATOM 832 CB VAL A 55 2.231 -2.779 -0.683 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.700 -2.809 -2.143 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.128 -1.776 0.054 1.00 0.00 C ATOM 0 H VAL A 55 0.936 -2.858 1.459 1.00 0.00 H new ATOM 0 HA VAL A 55 0.639 -1.425 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 55 2.316 -3.768 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.754 -3.083 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.115 -3.542 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.565 -1.824 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.170 -2.080 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.997 -0.784 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.855 -1.751 1.109 1.00 0.00 H new ATOM 844 N ALA A 56 -0.566 -3.077 -2.517 1.00 0.00 N ATOM 845 CA ALA A 56 -1.427 -3.901 -3.341 1.00 0.00 C ATOM 846 C ALA A 56 -0.894 -3.926 -4.774 1.00 0.00 C ATOM 847 O ALA A 56 -0.202 -3.004 -5.206 1.00 0.00 O ATOM 848 CB ALA A 56 -2.857 -3.365 -3.272 1.00 0.00 C ATOM 0 H ALA A 56 -0.289 -2.208 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.435 -4.927 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.507 -3.983 -3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.206 -3.392 -2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.878 -2.338 -3.636 1.00 0.00 H new ATOM 854 N LYS A 57 -1.218 -4.986 -5.508 1.00 0.00 N ATOM 855 CA LYS A 57 -0.855 -5.207 -6.895 1.00 0.00 C ATOM 856 C LYS A 57 -2.130 -5.591 -7.644 1.00 0.00 C ATOM 857 O LYS A 57 -2.995 -6.261 -7.078 1.00 0.00 O ATOM 858 CB LYS A 57 0.155 -6.358 -6.979 1.00 0.00 C ATOM 859 CG LYS A 57 1.624 -5.934 -6.887 1.00 0.00 C ATOM 860 CD LYS A 57 2.450 -7.194 -6.581 1.00 0.00 C ATOM 861 CE LYS A 57 3.955 -6.986 -6.717 1.00 0.00 C ATOM 862 NZ LYS A 57 4.714 -8.151 -6.220 1.00 0.00 N ATOM 0 H LYS A 57 -1.771 -5.753 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.406 -4.313 -7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.055 -7.066 -6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.003 -6.888 -7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.951 -5.479 -7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.759 -5.187 -6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.228 -7.526 -5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.140 -7.994 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.205 -6.808 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.251 -6.095 -6.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.717 -7.895 -6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.338 -8.441 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.622 -8.938 -6.893 1.00 0.00 H new ATOM 876 N LEU A 58 -2.243 -5.185 -8.911 1.00 0.00 N ATOM 877 CA LEU A 58 -3.381 -5.526 -9.753 1.00 0.00 C ATOM 878 C LEU A 58 -2.898 -5.745 -11.185 1.00 0.00 C ATOM 879 O LEU A 58 -2.217 -4.884 -11.744 1.00 0.00 O ATOM 880 CB LEU A 58 -4.448 -4.432 -9.639 1.00 0.00 C ATOM 881 CG LEU A 58 -5.710 -4.749 -10.464 1.00 0.00 C ATOM 882 CD1 LEU A 58 -6.932 -4.188 -9.741 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.643 -4.092 -11.848 1.00 0.00 C ATOM 0 H LEU A 58 -1.543 -4.609 -9.379 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.845 -6.456 -9.424 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.724 -4.307 -8.592 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.028 -3.483 -9.974 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.777 -5.831 -10.579 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.830 -4.408 -10.319 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.014 -4.646 -8.755 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.827 -3.109 -9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.546 -4.332 -12.409 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.563 -3.011 -11.734 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.772 -4.465 -12.386 1.00 0.00 H new ATOM 895 N ASN A 59 -3.241 -6.903 -11.766 1.00 0.00 N ATOM 896 CA ASN A 59 -2.863 -7.258 -13.125 1.00 0.00 C ATOM 897 C ASN A 59 -3.900 -6.703 -14.097 1.00 0.00 C ATOM 898 O ASN A 59 -5.007 -7.240 -14.183 1.00 0.00 O ATOM 899 CB ASN A 59 -2.764 -8.779 -13.289 1.00 0.00 C ATOM 900 CG ASN A 59 -2.198 -9.153 -14.660 1.00 0.00 C ATOM 901 OD1 ASN A 59 -2.065 -8.313 -15.548 1.00 0.00 O ATOM 902 ND2 ASN A 59 -1.908 -10.430 -14.866 1.00 0.00 N ATOM 0 H ASN A 59 -3.793 -7.620 -11.295 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.884 -6.828 -13.338 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.128 -9.191 -12.506 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.751 -9.225 -13.166 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.566 -10.735 -15.777 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.027 -11.108 -14.113 1.00 0.00 H new ATOM 909 N ILE A 60 -3.550 -5.651 -14.835 1.00 0.00 N ATOM 910 CA ILE A 60 -4.446 -5.031 -15.801 1.00 0.00 C ATOM 911 C ILE A 60 -4.780 -5.972 -16.958 1.00 0.00 C ATOM 912 O ILE A 60 -5.835 -5.816 -17.566 1.00 0.00 O ATOM 913 CB ILE A 60 -3.910 -3.673 -16.284 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.626 -3.795 -17.120 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.683 -2.745 -15.086 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.898 -3.798 -18.628 1.00 0.00 C ATOM 0 H ILE A 60 -2.634 -5.206 -14.777 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.386 -4.831 -15.287 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.667 -3.247 -16.942 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.960 -2.967 -16.877 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.106 -4.713 -16.847 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.303 -1.785 -15.436 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.626 -2.592 -14.560 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.958 -3.196 -14.408 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.955 -3.886 -19.168 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.541 -4.641 -18.880 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.392 -2.868 -18.910 1.00 0.00 H new ATOM 928 N ASP A 61 -3.932 -6.964 -17.266 1.00 0.00 N ATOM 929 CA ASP A 61 -4.248 -7.903 -18.341 1.00 0.00 C ATOM 930 C ASP A 61 -5.523 -8.661 -17.977 1.00 0.00 C ATOM 931 O ASP A 61 -6.416 -8.838 -18.800 1.00 0.00 O ATOM 932 CB ASP A 61 -3.113 -8.913 -18.572 1.00 0.00 C ATOM 933 CG ASP A 61 -1.807 -8.282 -19.036 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.860 -7.399 -19.922 1.00 0.00 O ATOM 935 OD2 ASP A 61 -0.760 -8.715 -18.507 1.00 0.00 O ATOM 0 H ASP A 61 -3.043 -7.132 -16.796 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.382 -7.332 -19.260 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.932 -9.459 -17.646 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.436 -9.643 -19.314 1.00 0.00 H new ATOM 940 N GLN A 62 -5.591 -9.101 -16.720 1.00 0.00 N ATOM 941 CA GLN A 62 -6.731 -9.823 -16.184 1.00 0.00 C ATOM 942 C GLN A 62 -7.865 -8.853 -15.842 1.00 0.00 C ATOM 943 O GLN A 62 -9.037 -9.208 -15.940 1.00 0.00 O ATOM 944 CB GLN A 62 -6.296 -10.595 -14.931 1.00 0.00 C ATOM 945 CG GLN A 62 -5.236 -11.664 -15.224 1.00 0.00 C ATOM 946 CD GLN A 62 -4.741 -12.312 -13.933 1.00 0.00 C ATOM 947 OE1 GLN A 62 -3.618 -12.073 -13.495 1.00 0.00 O ATOM 948 NE2 GLN A 62 -5.577 -13.125 -13.298 1.00 0.00 N ATOM 0 H GLN A 62 -4.842 -8.961 -16.041 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.097 -10.525 -16.933 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.902 -9.892 -14.197 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.169 -11.070 -14.482 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.655 -12.427 -15.880 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.397 -11.213 -15.754 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.504 -13.306 -13.684 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.292 -13.568 -12.425 1.00 0.00 H new ATOM 957 N ASN A 63 -7.512 -7.646 -15.389 1.00 0.00 N ATOM 958 CA ASN A 63 -8.447 -6.637 -14.895 1.00 0.00 C ATOM 959 C ASN A 63 -8.318 -5.313 -15.660 1.00 0.00 C ATOM 960 O ASN A 63 -7.910 -4.310 -15.068 1.00 0.00 O ATOM 961 CB ASN A 63 -8.137 -6.409 -13.411 1.00 0.00 C ATOM 962 CG ASN A 63 -8.164 -7.689 -12.590 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.213 -8.098 -12.100 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.006 -8.323 -12.428 1.00 0.00 N ATOM 0 H ASN A 63 -6.540 -7.338 -15.356 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.468 -6.991 -15.040 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.154 -5.946 -13.319 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.861 -5.705 -12.999 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.967 -9.182 -11.880 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.157 -7.950 -12.852 1.00 0.00 H new ATOM 971 N PRO A 64 -8.658 -5.269 -16.956 1.00 0.00 N ATOM 972 CA PRO A 64 -8.505 -4.072 -17.768 1.00 0.00 C ATOM 973 C PRO A 64 -9.332 -2.891 -17.252 1.00 0.00 C ATOM 974 O PRO A 64 -8.784 -1.807 -17.067 1.00 0.00 O ATOM 975 CB PRO A 64 -8.881 -4.485 -19.196 1.00 0.00 C ATOM 976 CG PRO A 64 -9.747 -5.731 -19.013 1.00 0.00 C ATOM 977 CD PRO A 64 -9.162 -6.375 -17.755 1.00 0.00 C ATOM 0 HA PRO A 64 -7.480 -3.703 -17.726 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -9.427 -3.693 -19.708 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.996 -4.700 -19.794 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.799 -5.476 -18.884 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.684 -6.397 -19.874 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.921 -6.938 -17.212 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.365 -7.074 -18.006 1.00 0.00 H new ATOM 985 N GLY A 65 -10.636 -3.101 -17.032 1.00 0.00 N ATOM 986 CA GLY A 65 -11.604 -2.094 -16.592 1.00 0.00 C ATOM 987 C GLY A 65 -11.062 -1.114 -15.549 1.00 0.00 C ATOM 988 O GLY A 65 -11.322 0.090 -15.611 1.00 0.00 O ATOM 0 H GLY A 65 -11.062 -4.019 -17.162 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.945 -1.530 -17.461 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.476 -2.601 -16.179 1.00 0.00 H new ATOM 992 N THR A 66 -10.305 -1.631 -14.583 1.00 0.00 N ATOM 993 CA THR A 66 -9.707 -0.858 -13.518 1.00 0.00 C ATOM 994 C THR A 66 -8.900 0.342 -14.022 1.00 0.00 C ATOM 995 O THR A 66 -8.929 1.402 -13.399 1.00 0.00 O ATOM 996 CB THR A 66 -8.868 -1.789 -12.632 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.171 -3.150 -12.883 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.155 -1.476 -11.162 1.00 0.00 C ATOM 0 H THR A 66 -10.090 -2.627 -14.526 1.00 0.00 H new ATOM 0 HA THR A 66 -10.510 -0.423 -12.923 1.00 0.00 H new ATOM 0 HB THR A 66 -7.815 -1.623 -12.861 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.629 -3.473 -13.633 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.562 -2.134 -10.527 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.894 -0.439 -10.953 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.214 -1.632 -10.957 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.193 0.198 -15.149 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.420 1.302 -15.702 1.00 0.00 C ATOM 1008 C ALA A 67 -8.358 2.467 -16.057 1.00 0.00 C ATOM 1009 O ALA A 67 -8.282 3.493 -15.381 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.448 0.841 -16.793 1.00 0.00 C ATOM 0 H ALA A 67 -8.144 -0.667 -15.688 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.743 1.704 -14.949 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.895 1.700 -17.174 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.750 0.116 -16.375 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.007 0.379 -17.607 1.00 0.00 H new ATOM 1016 N PRO A 68 -9.262 2.341 -17.049 1.00 0.00 N ATOM 1017 CA PRO A 68 -10.271 3.353 -17.330 1.00 0.00 C ATOM 1018 C PRO A 68 -10.965 3.880 -16.066 1.00 0.00 C ATOM 1019 O PRO A 68 -11.075 5.096 -15.917 1.00 0.00 O ATOM 1020 CB PRO A 68 -11.281 2.689 -18.268 1.00 0.00 C ATOM 1021 CG PRO A 68 -10.418 1.693 -19.035 1.00 0.00 C ATOM 1022 CD PRO A 68 -9.418 1.230 -17.977 1.00 0.00 C ATOM 0 HA PRO A 68 -9.803 4.229 -17.780 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.080 2.193 -17.717 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.753 3.412 -18.933 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.007 0.863 -19.426 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.921 2.159 -19.886 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.781 0.341 -17.462 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.463 0.967 -18.433 1.00 0.00 H new ATOM 1030 N LYS A 69 -11.427 2.997 -15.161 1.00 0.00 N ATOM 1031 CA LYS A 69 -12.108 3.427 -13.937 1.00 0.00 C ATOM 1032 C LYS A 69 -11.347 4.534 -13.198 1.00 0.00 C ATOM 1033 O LYS A 69 -11.965 5.499 -12.755 1.00 0.00 O ATOM 1034 CB LYS A 69 -12.385 2.255 -12.979 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.565 1.378 -13.423 1.00 0.00 C ATOM 1036 CD LYS A 69 -14.120 0.518 -12.273 1.00 0.00 C ATOM 1037 CE LYS A 69 -13.091 -0.466 -11.706 1.00 0.00 C ATOM 1038 NZ LYS A 69 -13.677 -1.320 -10.655 1.00 0.00 N ATOM 0 H LYS A 69 -11.339 1.986 -15.259 1.00 0.00 H new ATOM 0 HA LYS A 69 -13.064 3.835 -14.266 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.490 1.637 -12.902 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.587 2.648 -11.983 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.360 2.013 -13.815 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.245 0.728 -14.238 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.467 1.172 -11.473 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.987 -0.038 -12.629 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.704 -1.092 -12.510 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.245 0.087 -11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.056 -1.320 -9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.613 -0.951 -10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.776 -2.292 -11.013 1.00 0.00 H new ATOM 1130 N ILE A 75 1.468 1.741 -17.181 1.00 0.00 N ATOM 1131 CA ILE A 75 2.023 0.963 -16.079 1.00 0.00 C ATOM 1132 C ILE A 75 3.554 1.005 -16.181 1.00 0.00 C ATOM 1133 O ILE A 75 4.063 1.131 -17.296 1.00 0.00 O ATOM 1134 CB ILE A 75 1.499 -0.485 -16.130 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.804 -1.141 -17.489 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.001 -0.541 -15.798 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.266 -2.564 -17.561 1.00 0.00 C ATOM 0 HA ILE A 75 1.714 1.387 -15.124 1.00 0.00 H new ATOM 0 HB ILE A 75 2.025 -1.059 -15.368 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.364 -0.545 -18.288 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.881 -1.150 -17.655 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.343 -1.574 -15.841 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.165 -0.145 -14.796 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.554 0.057 -16.521 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.501 -2.993 -18.535 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.726 -3.167 -16.778 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.185 -2.552 -17.421 1.00 0.00 H new ATOM 1149 N PRO A 76 4.303 0.898 -15.071 1.00 0.00 N ATOM 1150 CA PRO A 76 3.818 0.780 -13.703 1.00 0.00 C ATOM 1151 C PRO A 76 3.228 2.115 -13.252 1.00 0.00 C ATOM 1152 O PRO A 76 3.772 3.164 -13.585 1.00 0.00 O ATOM 1153 CB PRO A 76 5.050 0.445 -12.854 1.00 0.00 C ATOM 1154 CG PRO A 76 6.206 1.055 -13.644 1.00 0.00 C ATOM 1155 CD PRO A 76 5.755 0.915 -15.097 1.00 0.00 C ATOM 0 HA PRO A 76 3.043 0.019 -13.610 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.977 0.874 -11.855 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.172 -0.631 -12.731 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.371 2.098 -13.373 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.141 0.526 -13.461 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.124 1.744 -15.701 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.147 -0.001 -15.540 1.00 0.00 H new ATOM 1163 N THR A 77 2.135 2.071 -12.489 1.00 0.00 N ATOM 1164 CA THR A 77 1.516 3.260 -11.921 1.00 0.00 C ATOM 1165 C THR A 77 1.095 2.908 -10.498 1.00 0.00 C ATOM 1166 O THR A 77 0.488 1.855 -10.288 1.00 0.00 O ATOM 1167 CB THR A 77 0.358 3.780 -12.784 1.00 0.00 C ATOM 1168 OG1 THR A 77 0.817 4.063 -14.087 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.184 5.092 -12.217 1.00 0.00 C ATOM 0 H THR A 77 1.655 1.203 -12.249 1.00 0.00 H new ATOM 0 HA THR A 77 2.224 4.089 -11.898 1.00 0.00 H new ATOM 0 HB THR A 77 -0.415 3.012 -12.794 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.072 4.393 -14.632 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.004 5.447 -12.841 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.545 4.928 -11.202 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.610 5.838 -12.204 1.00 0.00 H new ATOM 1177 N LEU A 78 1.462 3.761 -9.536 1.00 0.00 N ATOM 1178 CA LEU A 78 1.236 3.563 -8.115 1.00 0.00 C ATOM 1179 C LEU A 78 0.151 4.531 -7.634 1.00 0.00 C ATOM 1180 O LEU A 78 0.435 5.716 -7.457 1.00 0.00 O ATOM 1181 CB LEU A 78 2.556 3.797 -7.353 1.00 0.00 C ATOM 1182 CG LEU A 78 3.814 3.180 -7.990 1.00 0.00 C ATOM 1183 CD1 LEU A 78 5.030 3.504 -7.116 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.700 1.661 -8.130 1.00 0.00 C ATOM 0 H LEU A 78 1.941 4.638 -9.741 1.00 0.00 H new ATOM 0 HA LEU A 78 0.900 2.543 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.711 4.871 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.448 3.396 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 78 3.924 3.605 -8.988 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.925 3.070 -7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.149 4.585 -7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.883 3.088 -6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.610 1.268 -8.584 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.564 1.214 -7.145 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.845 1.417 -8.761 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.077 4.048 -7.414 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.172 4.872 -6.902 1.00 0.00 C ATOM 1198 C LEU A 79 -2.169 4.754 -5.382 1.00 0.00 C ATOM 1199 O LEU A 79 -2.416 3.669 -4.854 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.539 4.422 -7.436 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.928 5.001 -8.804 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -2.899 4.681 -9.884 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.325 4.533 -9.225 1.00 0.00 C ATOM 0 H LEU A 79 -1.337 3.077 -7.586 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.018 5.900 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.544 3.334 -7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.304 4.699 -6.711 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.948 6.085 -8.692 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.220 5.112 -10.832 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.934 5.102 -9.603 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.807 3.600 -9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.574 4.959 -10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.340 3.445 -9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.057 4.862 -8.487 1.00 0.00 H new ATOM 1215 N LEU A 80 -1.908 5.863 -4.686 1.00 0.00 N ATOM 1216 CA LEU A 80 -1.908 5.908 -3.235 1.00 0.00 C ATOM 1217 C LEU A 80 -3.290 6.363 -2.770 1.00 0.00 C ATOM 1218 O LEU A 80 -3.603 7.553 -2.784 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.753 6.792 -2.749 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.580 6.867 -1.219 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -1.025 5.622 -0.441 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.907 7.083 -0.927 1.00 0.00 C ATOM 0 H LEU A 80 -1.690 6.758 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.732 4.927 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.175 6.422 -3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.904 7.802 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.224 7.681 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.860 5.781 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.084 5.440 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.447 4.760 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.062 7.140 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.482 6.250 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.238 8.012 -1.391 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.110 5.399 -2.348 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.449 5.600 -1.834 1.00 0.00 C ATOM 1236 C PHE A 81 -5.349 5.870 -0.338 1.00 0.00 C ATOM 1237 O PHE A 81 -5.155 4.940 0.447 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.314 4.360 -2.091 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.747 4.184 -3.535 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.896 3.549 -4.456 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.032 4.593 -3.938 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.339 3.304 -5.768 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.480 4.331 -5.245 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.623 3.712 -6.169 1.00 0.00 C ATOM 0 H PHE A 81 -3.838 4.416 -2.359 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.917 6.445 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.759 3.475 -1.781 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.203 4.416 -1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.903 3.249 -4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.676 5.110 -3.241 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.691 2.801 -6.470 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.483 4.606 -5.538 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.950 3.550 -7.186 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.509 7.620 -0.795 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.364 8.718 -1.746 1.00 0.00 C ATOM 1299 C GLU A 85 -7.986 8.680 -2.410 1.00 0.00 C ATOM 1300 O GLU A 85 -6.970 8.630 -1.720 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.561 10.051 -1.011 1.00 0.00 C ATOM 1302 CG GLU A 85 -10.911 10.113 -0.285 1.00 0.00 C ATOM 1303 CD GLU A 85 -11.124 11.478 0.362 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -11.633 12.368 -0.352 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -10.761 11.609 1.549 1.00 0.00 O ATOM 0 HA GLU A 85 -10.118 8.615 -2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.755 10.190 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.495 10.872 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.717 9.912 -0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.954 9.335 0.477 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.931 8.730 -3.745 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.671 8.755 -4.480 1.00 0.00 C ATOM 1314 C VAL A 86 -5.930 10.056 -4.145 1.00 0.00 C ATOM 1315 O VAL A 86 -6.312 11.121 -4.621 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.929 8.629 -5.993 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.613 8.689 -6.779 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.612 7.297 -6.323 1.00 0.00 C ATOM 0 H VAL A 86 -8.758 8.754 -4.341 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.051 7.908 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.574 9.461 -6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.821 8.598 -7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.117 9.640 -6.586 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.964 7.871 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.783 7.232 -7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.973 6.472 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.566 7.238 -5.799 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.873 9.971 -3.335 1.00 0.00 N ATOM 1329 CA ALA A 87 -4.076 11.123 -2.943 1.00 0.00 C ATOM 1330 C ALA A 87 -3.093 11.494 -4.051 1.00 0.00 C ATOM 1331 O ALA A 87 -2.921 12.671 -4.359 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.333 10.816 -1.642 1.00 0.00 C ATOM 0 H ALA A 87 -4.548 9.092 -2.932 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.737 11.974 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.737 11.681 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.054 10.591 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.678 9.957 -1.791 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.438 10.491 -4.643 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.456 10.696 -5.695 1.00 0.00 C ATOM 1340 C ALA A 88 -1.357 9.440 -6.558 1.00 0.00 C ATOM 1341 O ALA A 88 -1.658 8.342 -6.086 1.00 0.00 O ATOM 1342 CB ALA A 88 -0.102 11.034 -5.066 1.00 0.00 C ATOM 0 H ALA A 88 -2.580 9.511 -4.400 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.762 11.526 -6.332 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.636 11.188 -5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.194 11.943 -4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.217 10.212 -4.425 1.00 0.00 H new ATOM 1348 N THR A 89 -0.940 9.617 -7.817 1.00 0.00 N ATOM 1349 CA THR A 89 -0.777 8.551 -8.796 1.00 0.00 C ATOM 1350 C THR A 89 0.632 8.667 -9.383 1.00 0.00 C ATOM 1351 O THR A 89 0.844 9.496 -10.268 1.00 0.00 O ATOM 1352 CB THR A 89 -1.887 8.638 -9.865 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.768 9.765 -10.715 1.00 0.00 O ATOM 1354 CG2 THR A 89 -3.265 8.736 -9.210 1.00 0.00 C ATOM 0 H THR A 89 -0.701 10.537 -8.188 1.00 0.00 H new ATOM 0 HA THR A 89 -0.879 7.568 -8.336 1.00 0.00 H new ATOM 0 HB THR A 89 -1.776 7.728 -10.455 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.822 9.996 -10.822 1.00 0.00 H new ATOM 0 HG21 THR A 89 -4.032 8.796 -9.983 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.439 7.853 -8.594 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.308 9.628 -8.585 1.00 0.00 H new ATOM 1362 N LYS A 90 1.599 7.872 -8.914 1.00 0.00 N ATOM 1363 CA LYS A 90 2.956 7.974 -9.435 1.00 0.00 C ATOM 1364 C LYS A 90 3.051 7.100 -10.679 1.00 0.00 C ATOM 1365 O LYS A 90 3.010 5.879 -10.565 1.00 0.00 O ATOM 1366 CB LYS A 90 3.995 7.609 -8.362 1.00 0.00 C ATOM 1367 CG LYS A 90 5.400 8.145 -8.700 1.00 0.00 C ATOM 1368 CD LYS A 90 6.175 7.260 -9.691 1.00 0.00 C ATOM 1369 CE LYS A 90 7.409 7.972 -10.260 1.00 0.00 C ATOM 1370 NZ LYS A 90 7.037 9.028 -11.220 1.00 0.00 N ATOM 0 H LYS A 90 1.468 7.166 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 90 3.182 9.003 -9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.677 8.011 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.038 6.525 -8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.306 9.148 -9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.976 8.236 -7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.485 6.343 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.516 6.970 -10.509 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.985 8.409 -9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.054 7.244 -10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.897 9.429 -11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.437 8.623 -11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.514 9.778 -10.725 1.00 0.00 H new ATOM 1384 N VAL A 91 3.173 7.723 -11.851 1.00 0.00 N ATOM 1385 CA VAL A 91 3.304 7.037 -13.130 1.00 0.00 C ATOM 1386 C VAL A 91 4.792 6.789 -13.394 1.00 0.00 C ATOM 1387 O VAL A 91 5.589 7.720 -13.290 1.00 0.00 O ATOM 1388 CB VAL A 91 2.688 7.902 -14.246 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.730 7.168 -15.593 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.233 8.289 -13.948 1.00 0.00 C ATOM 0 H VAL A 91 3.183 8.739 -11.936 1.00 0.00 H new ATOM 0 HA VAL A 91 2.776 6.084 -13.109 1.00 0.00 H new ATOM 0 HB VAL A 91 3.289 8.810 -14.293 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.289 7.799 -16.365 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.765 6.945 -15.854 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.166 6.238 -15.519 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.844 8.898 -14.764 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.629 7.387 -13.849 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.191 8.857 -13.019 1.00 0.00 H new ATOM 1400 N GLY A 92 5.164 5.556 -13.741 1.00 0.00 N ATOM 1401 CA GLY A 92 6.534 5.181 -14.051 1.00 0.00 C ATOM 1402 C GLY A 92 7.292 4.680 -12.823 1.00 0.00 C ATOM 1403 O GLY A 92 6.879 4.887 -11.684 1.00 0.00 O ATOM 0 H GLY A 92 4.506 4.780 -13.814 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.531 4.404 -14.815 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.057 6.040 -14.472 1.00 0.00 H new ATOM 1407 N ALA A 93 8.419 4.001 -13.070 1.00 0.00 N ATOM 1408 CA ALA A 93 9.279 3.472 -12.021 1.00 0.00 C ATOM 1409 C ALA A 93 10.043 4.611 -11.334 1.00 0.00 C ATOM 1410 O ALA A 93 10.056 5.742 -11.815 1.00 0.00 O ATOM 1411 CB ALA A 93 10.240 2.443 -12.624 1.00 0.00 C ATOM 0 H ALA A 93 8.756 3.805 -14.013 1.00 0.00 H new ATOM 0 HA ALA A 93 8.671 2.978 -11.263 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.885 2.045 -11.841 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.668 1.630 -13.071 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.851 2.921 -13.390 1.00 0.00 H new ATOM 1417 N LEU A 94 10.692 4.302 -10.210 1.00 0.00 N ATOM 1418 CA LEU A 94 11.461 5.237 -9.405 1.00 0.00 C ATOM 1419 C LEU A 94 12.357 4.430 -8.468 1.00 0.00 C ATOM 1420 O LEU A 94 12.132 3.232 -8.294 1.00 0.00 O ATOM 1421 CB LEU A 94 10.530 6.189 -8.634 1.00 0.00 C ATOM 1422 CG LEU A 94 9.712 5.560 -7.489 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.832 6.642 -6.857 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.811 4.399 -7.928 1.00 0.00 C ATOM 0 H LEU A 94 10.693 3.357 -9.826 1.00 0.00 H new ATOM 0 HA LEU A 94 12.083 5.865 -10.043 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.133 6.998 -8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.836 6.639 -9.344 1.00 0.00 H new ATOM 0 HG LEU A 94 10.435 5.150 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.248 6.208 -6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.462 7.440 -6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.158 7.049 -7.611 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.270 4.012 -7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.099 4.753 -8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.423 3.606 -8.358 1.00 0.00 H new ATOM 1436 N SER A 95 13.370 5.066 -7.873 1.00 0.00 N ATOM 1437 CA SER A 95 14.266 4.381 -6.954 1.00 0.00 C ATOM 1438 C SER A 95 13.556 4.087 -5.631 1.00 0.00 C ATOM 1439 O SER A 95 12.555 4.722 -5.293 1.00 0.00 O ATOM 1440 CB SER A 95 15.512 5.235 -6.693 1.00 0.00 C ATOM 1441 OG SER A 95 15.148 6.440 -6.047 1.00 0.00 O ATOM 0 H SER A 95 13.585 6.053 -8.015 1.00 0.00 H new ATOM 0 HA SER A 95 14.568 3.438 -7.409 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.219 4.681 -6.075 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.015 5.455 -7.634 1.00 0.00 H new ATOM 0 HG SER A 95 14.761 7.058 -6.702 1.00 0.00 H new ATOM 1447 N LYS A 96 14.112 3.157 -4.852 1.00 0.00 N ATOM 1448 CA LYS A 96 13.594 2.843 -3.529 1.00 0.00 C ATOM 1449 C LYS A 96 13.563 4.120 -2.683 1.00 0.00 C ATOM 1450 O LYS A 96 12.580 4.382 -2.000 1.00 0.00 O ATOM 1451 CB LYS A 96 14.442 1.736 -2.892 1.00 0.00 C ATOM 1452 CG LYS A 96 13.880 1.307 -1.531 1.00 0.00 C ATOM 1453 CD LYS A 96 14.613 0.058 -1.026 1.00 0.00 C ATOM 1454 CE LYS A 96 14.004 -0.410 0.298 1.00 0.00 C ATOM 1455 NZ LYS A 96 14.662 -1.629 0.793 1.00 0.00 N ATOM 0 H LYS A 96 14.927 2.607 -5.122 1.00 0.00 H new ATOM 0 HA LYS A 96 12.573 2.467 -3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.478 0.875 -3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.467 2.087 -2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.990 2.118 -0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.813 1.101 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.545 -0.738 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.672 0.278 -0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.095 0.382 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.939 -0.599 0.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.171 -1.967 1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.627 -2.365 0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.654 -1.418 1.025 1.00 0.00 H new ATOM 1469 N GLY A 97 14.626 4.926 -2.751 1.00 0.00 N ATOM 1470 CA GLY A 97 14.705 6.187 -2.029 1.00 0.00 C ATOM 1471 C GLY A 97 13.536 7.095 -2.408 1.00 0.00 C ATOM 1472 O GLY A 97 12.758 7.494 -1.542 1.00 0.00 O ATOM 0 H GLY A 97 15.453 4.718 -3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.694 5.999 -0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.648 6.684 -2.256 1.00 0.00 H new ATOM 1476 N GLN A 98 13.385 7.392 -3.706 1.00 0.00 N ATOM 1477 CA GLN A 98 12.284 8.223 -4.184 1.00 0.00 C ATOM 1478 C GLN A 98 10.942 7.667 -3.702 1.00 0.00 C ATOM 1479 O GLN A 98 10.087 8.419 -3.237 1.00 0.00 O ATOM 1480 CB GLN A 98 12.300 8.303 -5.712 1.00 0.00 C ATOM 1481 CG GLN A 98 13.443 9.174 -6.240 1.00 0.00 C ATOM 1482 CD GLN A 98 13.614 8.949 -7.738 1.00 0.00 C ATOM 1483 OE1 GLN A 98 13.980 7.850 -8.150 1.00 0.00 O ATOM 1484 NE2 GLN A 98 13.343 9.955 -8.563 1.00 0.00 N ATOM 0 H GLN A 98 14.014 7.067 -4.440 1.00 0.00 H new ATOM 0 HA GLN A 98 12.412 9.226 -3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.392 7.298 -6.125 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.349 8.705 -6.062 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.233 10.225 -6.043 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.369 8.931 -5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 98 13.041 10.855 -8.189 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.437 9.828 -9.571 1.00 0.00 H new ATOM 1493 N LEU A 99 10.757 6.348 -3.809 1.00 0.00 N ATOM 1494 CA LEU A 99 9.533 5.702 -3.367 1.00 0.00 C ATOM 1495 C LEU A 99 9.302 5.968 -1.879 1.00 0.00 C ATOM 1496 O LEU A 99 8.238 6.456 -1.509 1.00 0.00 O ATOM 1497 CB LEU A 99 9.564 4.211 -3.730 1.00 0.00 C ATOM 1498 CG LEU A 99 8.287 3.438 -3.355 1.00 0.00 C ATOM 1499 CD1 LEU A 99 7.008 4.073 -3.913 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.402 2.014 -3.905 1.00 0.00 C ATOM 0 H LEU A 99 11.449 5.709 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 99 8.675 6.127 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.731 4.114 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.415 3.746 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 99 8.208 3.453 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.145 3.479 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.905 5.086 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.063 4.107 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.505 1.451 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.510 2.050 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.274 1.525 -3.470 1.00 0.00 H new ATOM 1512 N LYS A 100 10.287 5.696 -1.022 1.00 0.00 N ATOM 1513 CA LYS A 100 10.164 5.952 0.410 1.00 0.00 C ATOM 1514 C LYS A 100 9.818 7.420 0.672 1.00 0.00 C ATOM 1515 O LYS A 100 8.905 7.702 1.444 1.00 0.00 O ATOM 1516 CB LYS A 100 11.431 5.518 1.157 1.00 0.00 C ATOM 1517 CG LYS A 100 11.559 3.990 1.140 1.00 0.00 C ATOM 1518 CD LYS A 100 12.782 3.475 1.908 1.00 0.00 C ATOM 1519 CE LYS A 100 12.680 3.741 3.415 1.00 0.00 C ATOM 1520 NZ LYS A 100 13.665 2.942 4.165 1.00 0.00 N ATOM 0 H LYS A 100 11.183 5.296 -1.299 1.00 0.00 H new ATOM 0 HA LYS A 100 9.342 5.351 0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.308 5.969 0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.396 5.876 2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.658 3.552 1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.618 3.649 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.890 2.404 1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.681 3.953 1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.842 4.801 3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.675 3.503 3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.741 3.306 5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.359 1.948 4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.592 3.006 3.698 1.00 0.00 H new ATOM 1534 N GLU A 101 10.518 8.353 0.021 1.00 0.00 N ATOM 1535 CA GLU A 101 10.246 9.779 0.164 1.00 0.00 C ATOM 1536 C GLU A 101 8.782 10.078 -0.184 1.00 0.00 C ATOM 1537 O GLU A 101 8.063 10.688 0.607 1.00 0.00 O ATOM 1538 CB GLU A 101 11.206 10.582 -0.725 1.00 0.00 C ATOM 1539 CG GLU A 101 12.654 10.501 -0.223 1.00 0.00 C ATOM 1540 CD GLU A 101 13.625 11.049 -1.264 1.00 0.00 C ATOM 1541 OE1 GLU A 101 13.655 12.290 -1.414 1.00 0.00 O ATOM 1542 OE2 GLU A 101 14.310 10.220 -1.902 1.00 0.00 O ATOM 0 H GLU A 101 11.285 8.139 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 101 10.409 10.076 1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.155 10.206 -1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.889 11.625 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.753 11.065 0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.906 9.465 0.005 1.00 0.00 H new ATOM 1549 N PHE A 102 8.341 9.635 -1.365 1.00 0.00 N ATOM 1550 CA PHE A 102 6.972 9.811 -1.840 1.00 0.00 C ATOM 1551 C PHE A 102 5.975 9.264 -0.815 1.00 0.00 C ATOM 1552 O PHE A 102 5.051 9.966 -0.397 1.00 0.00 O ATOM 1553 CB PHE A 102 6.822 9.119 -3.205 1.00 0.00 C ATOM 1554 CG PHE A 102 5.399 9.010 -3.725 1.00 0.00 C ATOM 1555 CD1 PHE A 102 4.832 10.055 -4.481 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.656 7.836 -3.493 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.539 9.915 -5.019 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.357 7.704 -4.016 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.803 8.739 -4.785 1.00 0.00 C ATOM 0 H PHE A 102 8.937 9.137 -2.026 1.00 0.00 H new ATOM 0 HA PHE A 102 6.756 10.872 -1.963 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.418 9.664 -3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.243 8.116 -3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.390 10.964 -4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.086 7.034 -2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.112 10.710 -5.612 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.786 6.807 -3.826 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.811 8.633 -5.198 1.00 0.00 H new ATOM 1569 N LEU A 103 6.160 8.008 -0.407 1.00 0.00 N ATOM 1570 CA LEU A 103 5.289 7.355 0.554 1.00 0.00 C ATOM 1571 C LEU A 103 5.229 8.160 1.844 1.00 0.00 C ATOM 1572 O LEU A 103 4.142 8.501 2.294 1.00 0.00 O ATOM 1573 CB LEU A 103 5.759 5.922 0.817 1.00 0.00 C ATOM 1574 CG LEU A 103 5.597 5.022 -0.416 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.304 3.693 -0.152 1.00 0.00 C ATOM 1576 CD2 LEU A 103 4.127 4.805 -0.785 1.00 0.00 C ATOM 0 H LEU A 103 6.923 7.418 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 103 4.282 7.306 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.806 5.935 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.192 5.502 1.648 1.00 0.00 H new ATOM 0 HG LEU A 103 6.054 5.517 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.196 3.044 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.362 3.875 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.859 3.211 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.063 4.162 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.608 4.332 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.661 5.766 -1.004 1.00 0.00 H new ATOM 1588 N ASP A 104 6.384 8.484 2.428 1.00 0.00 N ATOM 1589 CA ASP A 104 6.454 9.273 3.648 1.00 0.00 C ATOM 1590 C ASP A 104 5.671 10.577 3.483 1.00 0.00 C ATOM 1591 O ASP A 104 4.811 10.892 4.304 1.00 0.00 O ATOM 1592 CB ASP A 104 7.917 9.543 4.012 1.00 0.00 C ATOM 1593 CG ASP A 104 8.012 10.399 5.269 1.00 0.00 C ATOM 1594 OD1 ASP A 104 7.869 9.814 6.365 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.214 11.622 5.111 1.00 0.00 O ATOM 0 H ASP A 104 7.295 8.204 2.064 1.00 0.00 H new ATOM 0 HA ASP A 104 5.999 8.713 4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.438 8.598 4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.415 10.048 3.184 1.00 0.00 H new ATOM 1600 N ALA A 105 5.957 11.322 2.412 1.00 0.00 N ATOM 1601 CA ALA A 105 5.296 12.585 2.117 1.00 0.00 C ATOM 1602 C ALA A 105 3.773 12.430 2.027 1.00 0.00 C ATOM 1603 O ALA A 105 3.038 13.285 2.514 1.00 0.00 O ATOM 1604 CB ALA A 105 5.863 13.172 0.822 1.00 0.00 C ATOM 0 H ALA A 105 6.661 11.059 1.722 1.00 0.00 H new ATOM 0 HA ALA A 105 5.494 13.271 2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.367 14.117 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.933 13.342 0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.693 12.475 0.002 1.00 0.00 H new ATOM 1610 N ASN A 106 3.292 11.343 1.416 1.00 0.00 N ATOM 1611 CA ASN A 106 1.857 11.131 1.241 1.00 0.00 C ATOM 1612 C ASN A 106 1.218 10.642 2.541 1.00 0.00 C ATOM 1613 O ASN A 106 0.107 11.052 2.868 1.00 0.00 O ATOM 1614 CB ASN A 106 1.593 10.114 0.126 1.00 0.00 C ATOM 1615 CG ASN A 106 1.637 10.728 -1.270 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.601 11.048 -1.842 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.826 10.877 -1.841 1.00 0.00 N ATOM 0 H ASN A 106 3.877 10.599 1.036 1.00 0.00 H new ATOM 0 HA ASN A 106 1.411 12.086 0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.333 9.316 0.188 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.616 9.656 0.284 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.895 11.267 -2.781 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.671 10.601 -1.340 1.00 0.00 H new ATOM 1624 N LEU A 107 1.904 9.781 3.298 1.00 0.00 N ATOM 1625 CA LEU A 107 1.415 9.299 4.584 1.00 0.00 C ATOM 1626 C LEU A 107 1.287 10.499 5.523 1.00 0.00 C ATOM 1627 O LEU A 107 0.250 10.694 6.153 1.00 0.00 O ATOM 1628 CB LEU A 107 2.358 8.231 5.160 1.00 0.00 C ATOM 1629 CG LEU A 107 2.275 6.886 4.416 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.517 6.044 4.727 1.00 0.00 C ATOM 1631 CD2 LEU A 107 1.024 6.096 4.819 1.00 0.00 C ATOM 0 H LEU A 107 2.813 9.401 3.033 1.00 0.00 H new ATOM 0 HA LEU A 107 0.441 8.826 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.383 8.600 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.119 8.073 6.212 1.00 0.00 H new ATOM 0 HG LEU A 107 2.220 7.101 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.454 5.093 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.410 6.580 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.572 5.860 5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.998 5.152 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.049 5.896 5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.134 6.677 4.580 1.00 0.00 H new ATOM 1643 N ALA A 108 2.336 11.325 5.592 1.00 0.00 N ATOM 1644 CA ALA A 108 2.343 12.535 6.396 1.00 0.00 C ATOM 1645 C ALA A 108 1.273 13.497 5.885 1.00 0.00 C ATOM 1646 O ALA A 108 0.957 14.483 6.549 1.00 0.00 O ATOM 1647 CB ALA A 108 3.733 13.175 6.341 1.00 0.00 C ATOM 0 H ALA A 108 3.207 11.165 5.085 1.00 0.00 H new ATOM 0 HA ALA A 108 2.116 12.293 7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.740 14.083 6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.472 12.475 6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.979 13.423 5.308 1.00 0.00 H new