USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=18 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 59 ASN : amide:sc= 1.95 K(o=2.7,f=-6.2!) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.763 K(o=2.7,f=-6.2) USER MOD Set 2.1: A 8 THR OG1 : rot -37:sc= 1.19 USER MOD Set 2.2: A 11 SER OG : rot 101:sc= 2.38 USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0275) USER MOD Single : A 6 HIS : no HE2:sc= -0.168 X(o=-0.17,f=-0.58) USER MOD Single : A 14 THR OG1 : rot 49:sc= 1.32 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= -0.0144 (180deg=-0.113) USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00935) USER MOD Single : A 37 MET CE :methyl -171:sc=-0.00172 (180deg=-0.122) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 1.09 K(o=1.1,f=-0.0036) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 0.924 (180deg=0.865) USER MOD Single : A 63 ASN : amide:sc= 1.38 K(o=1.4,f=-4.6!) USER MOD Single : A 66 THR OG1 : rot -52:sc= 1.29 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00841) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 36:sc= 0.967 USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 1.02 (180deg=0.985) USER MOD Single : A 95 SER OG : rot 180:sc= 0.523 USER MOD Single : A 96 LYS NZ :NH3+ -163:sc= 0.985 (180deg=0.458) USER MOD Single : A 98 GLN : amide:sc= 0.161 K(o=0.16,f=-0.45) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0.762 K(o=0.76,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 3 4.028 -8.838 1.290 1.00 0.00 N ATOM 25 CA LYS A 3 2.774 -8.613 1.995 1.00 0.00 C ATOM 26 C LYS A 3 1.864 -7.806 1.064 1.00 0.00 C ATOM 27 O LYS A 3 1.111 -6.944 1.511 1.00 0.00 O ATOM 28 CB LYS A 3 3.038 -7.859 3.307 1.00 0.00 C ATOM 29 CG LYS A 3 4.026 -8.595 4.220 1.00 0.00 C ATOM 30 CD LYS A 3 4.193 -7.816 5.532 1.00 0.00 C ATOM 31 CE LYS A 3 5.326 -8.395 6.389 1.00 0.00 C ATOM 32 NZ LYS A 3 5.059 -9.786 6.794 1.00 0.00 N ATOM 0 HA LYS A 3 2.294 -9.557 2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.428 -6.867 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.096 -7.717 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.664 -9.602 4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.990 -8.698 3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.401 -6.769 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.260 -7.844 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.261 -8.354 5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.459 -7.778 7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.807 -10.109 7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.139 -9.837 7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.042 -10.396 5.952 1.00 0.00 H new ATOM 46 N ILE A 4 1.971 -8.057 -0.246 1.00 0.00 N ATOM 47 CA ILE A 4 1.235 -7.316 -1.253 1.00 0.00 C ATOM 48 C ILE A 4 -0.146 -7.920 -1.479 1.00 0.00 C ATOM 49 O ILE A 4 -0.290 -9.137 -1.593 1.00 0.00 O ATOM 50 CB ILE A 4 2.049 -7.228 -2.552 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.388 -6.532 -2.251 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.246 -6.469 -3.614 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.151 -6.127 -3.511 1.00 0.00 C ATOM 0 H ILE A 4 2.575 -8.784 -0.629 1.00 0.00 H new ATOM 0 HA ILE A 4 1.078 -6.299 -0.894 1.00 0.00 H new ATOM 0 HB ILE A 4 2.255 -8.225 -2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.201 -5.645 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.011 -7.199 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.826 -6.408 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.311 -6.995 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.028 -5.463 -3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.086 -5.642 -3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.367 -7.014 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.545 -5.436 -4.097 1.00 0.00 H new ATOM 65 N ILE A 5 -1.158 -7.054 -1.568 1.00 0.00 N ATOM 66 CA ILE A 5 -2.539 -7.456 -1.793 1.00 0.00 C ATOM 67 C ILE A 5 -2.859 -7.466 -3.285 1.00 0.00 C ATOM 68 O ILE A 5 -2.832 -6.437 -3.954 1.00 0.00 O ATOM 69 CB ILE A 5 -3.500 -6.560 -0.993 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.100 -6.416 0.490 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.944 -7.069 -1.116 1.00 0.00 C ATOM 72 CD1 ILE A 5 -2.969 -7.744 1.245 1.00 0.00 C ATOM 0 H ILE A 5 -1.035 -6.045 -1.484 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.676 -8.475 -1.431 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.432 -5.564 -1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.150 -5.885 0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.842 -5.797 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.608 -6.422 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.245 -7.061 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.006 -8.086 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.685 -7.548 2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.923 -8.270 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.205 -8.359 0.769 1.00 0.00 H new ATOM 84 N HIS A 6 -3.167 -8.651 -3.804 1.00 0.00 N ATOM 85 CA HIS A 6 -3.485 -8.873 -5.200 1.00 0.00 C ATOM 86 C HIS A 6 -4.972 -8.620 -5.422 1.00 0.00 C ATOM 87 O HIS A 6 -5.806 -9.464 -5.102 1.00 0.00 O ATOM 88 CB HIS A 6 -2.994 -10.277 -5.566 1.00 0.00 C ATOM 89 CG HIS A 6 -1.489 -10.329 -5.428 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.761 -10.830 -4.359 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.667 -9.493 -6.123 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.489 -10.329 -4.448 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.569 -9.530 -5.521 1.00 0.00 N ATOM 0 H HIS A 6 -3.202 -9.503 -3.245 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.980 -8.179 -5.872 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.457 -11.018 -4.915 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.286 -10.523 -6.587 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -1.107 -11.462 -3.637 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.937 -8.908 -6.989 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.297 -10.539 -3.763 1.00 0.00 H new ATOM 102 N LEU A 7 -5.292 -7.432 -5.941 1.00 0.00 N ATOM 103 CA LEU A 7 -6.655 -6.979 -6.162 1.00 0.00 C ATOM 104 C LEU A 7 -7.212 -7.457 -7.496 1.00 0.00 C ATOM 105 O LEU A 7 -6.468 -7.858 -8.393 1.00 0.00 O ATOM 106 CB LEU A 7 -6.670 -5.446 -6.190 1.00 0.00 C ATOM 107 CG LEU A 7 -6.152 -4.769 -4.917 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.147 -3.263 -5.175 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.066 -5.048 -3.727 1.00 0.00 C ATOM 0 H LEU A 7 -4.590 -6.748 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.266 -7.385 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.069 -5.107 -7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.691 -5.111 -6.372 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.159 -5.153 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.783 -2.743 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.495 -3.041 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.160 -2.929 -5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.670 -4.553 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.065 -4.668 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.116 -6.123 -3.551 1.00 0.00 H new ATOM 121 N THR A 8 -8.533 -7.330 -7.638 1.00 0.00 N ATOM 122 CA THR A 8 -9.259 -7.578 -8.867 1.00 0.00 C ATOM 123 C THR A 8 -10.172 -6.376 -9.095 1.00 0.00 C ATOM 124 O THR A 8 -10.436 -5.626 -8.154 1.00 0.00 O ATOM 125 CB THR A 8 -10.096 -8.856 -8.756 1.00 0.00 C ATOM 126 OG1 THR A 8 -11.076 -8.699 -7.747 1.00 0.00 O ATOM 127 CG2 THR A 8 -9.232 -10.081 -8.442 1.00 0.00 C ATOM 0 H THR A 8 -9.139 -7.042 -6.870 1.00 0.00 H new ATOM 0 HA THR A 8 -8.566 -7.712 -9.698 1.00 0.00 H new ATOM 0 HB THR A 8 -10.574 -9.022 -9.722 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.701 -8.182 -7.004 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.866 -10.965 -8.372 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.499 -10.222 -9.236 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.716 -9.929 -7.494 1.00 0.00 H new ATOM 135 N ASP A 9 -10.688 -6.204 -10.316 1.00 0.00 N ATOM 136 CA ASP A 9 -11.627 -5.131 -10.619 1.00 0.00 C ATOM 137 C ASP A 9 -12.801 -5.198 -9.638 1.00 0.00 C ATOM 138 O ASP A 9 -13.173 -4.204 -9.020 1.00 0.00 O ATOM 139 CB ASP A 9 -12.137 -5.272 -12.059 1.00 0.00 C ATOM 140 CG ASP A 9 -13.077 -4.124 -12.412 1.00 0.00 C ATOM 141 OD1 ASP A 9 -12.544 -3.031 -12.708 1.00 0.00 O ATOM 142 OD2 ASP A 9 -14.304 -4.358 -12.380 1.00 0.00 O ATOM 0 H ASP A 9 -10.466 -6.801 -11.113 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.125 -4.169 -10.519 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.294 -5.284 -12.749 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.657 -6.223 -12.175 1.00 0.00 H new ATOM 147 N ASP A 10 -13.363 -6.401 -9.508 1.00 0.00 N ATOM 148 CA ASP A 10 -14.495 -6.704 -8.650 1.00 0.00 C ATOM 149 C ASP A 10 -14.193 -6.403 -7.182 1.00 0.00 C ATOM 150 O ASP A 10 -15.021 -5.816 -6.491 1.00 0.00 O ATOM 151 CB ASP A 10 -14.881 -8.181 -8.811 1.00 0.00 C ATOM 152 CG ASP A 10 -15.191 -8.544 -10.260 1.00 0.00 C ATOM 153 OD1 ASP A 10 -14.211 -8.654 -11.031 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.392 -8.699 -10.570 1.00 0.00 O ATOM 0 H ASP A 10 -13.025 -7.217 -10.019 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.326 -6.067 -8.953 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.067 -8.809 -8.448 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.751 -8.397 -8.191 1.00 0.00 H new ATOM 159 N SER A 11 -13.025 -6.828 -6.687 1.00 0.00 N ATOM 160 CA SER A 11 -12.704 -6.669 -5.274 1.00 0.00 C ATOM 161 C SER A 11 -12.263 -5.241 -4.938 1.00 0.00 C ATOM 162 O SER A 11 -12.386 -4.823 -3.785 1.00 0.00 O ATOM 163 CB SER A 11 -11.669 -7.721 -4.861 1.00 0.00 C ATOM 164 OG SER A 11 -10.385 -7.441 -5.400 1.00 0.00 O ATOM 0 H SER A 11 -12.297 -7.279 -7.241 1.00 0.00 H new ATOM 0 HA SER A 11 -13.609 -6.835 -4.689 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.605 -7.760 -3.774 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.997 -8.705 -5.197 1.00 0.00 H new ATOM 0 HG SER A 11 -9.821 -7.037 -4.708 1.00 0.00 H new ATOM 170 N PHE A 12 -11.744 -4.510 -5.929 1.00 0.00 N ATOM 171 CA PHE A 12 -11.253 -3.145 -5.819 1.00 0.00 C ATOM 172 C PHE A 12 -12.035 -2.279 -4.830 1.00 0.00 C ATOM 173 O PHE A 12 -11.462 -1.784 -3.870 1.00 0.00 O ATOM 174 CB PHE A 12 -11.228 -2.480 -7.202 1.00 0.00 C ATOM 175 CG PHE A 12 -10.223 -1.355 -7.296 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.503 -0.083 -6.763 1.00 0.00 C ATOM 177 CD2 PHE A 12 -8.953 -1.625 -7.828 1.00 0.00 C ATOM 178 CE1 PHE A 12 -9.516 0.916 -6.782 1.00 0.00 C ATOM 179 CE2 PHE A 12 -8.001 -0.600 -7.935 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.277 0.669 -7.402 1.00 0.00 C ATOM 0 H PHE A 12 -11.653 -4.879 -6.876 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.242 -3.219 -5.418 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.996 -3.232 -7.957 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.221 -2.093 -7.432 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.475 0.125 -6.340 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.708 -2.624 -8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.708 1.874 -6.321 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.058 -0.787 -8.426 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.539 1.455 -7.468 1.00 0.00 H new ATOM 190 N ASP A 13 -13.333 -2.066 -5.059 1.00 0.00 N ATOM 191 CA ASP A 13 -14.164 -1.223 -4.208 1.00 0.00 C ATOM 192 C ASP A 13 -14.072 -1.663 -2.748 1.00 0.00 C ATOM 193 O ASP A 13 -13.662 -0.894 -1.880 1.00 0.00 O ATOM 194 CB ASP A 13 -15.610 -1.266 -4.720 1.00 0.00 C ATOM 195 CG ASP A 13 -15.743 -0.665 -6.117 1.00 0.00 C ATOM 196 OD1 ASP A 13 -15.193 -1.285 -7.054 1.00 0.00 O ATOM 197 OD2 ASP A 13 -16.383 0.403 -6.224 1.00 0.00 O ATOM 0 H ASP A 13 -13.836 -2.477 -5.845 1.00 0.00 H new ATOM 0 HA ASP A 13 -13.805 -0.195 -4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.958 -2.299 -4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.255 -0.723 -4.029 1.00 0.00 H new ATOM 202 N THR A 14 -14.442 -2.914 -2.479 1.00 0.00 N ATOM 203 CA THR A 14 -14.423 -3.484 -1.144 1.00 0.00 C ATOM 204 C THR A 14 -13.047 -3.402 -0.488 1.00 0.00 C ATOM 205 O THR A 14 -12.961 -3.197 0.719 1.00 0.00 O ATOM 206 CB THR A 14 -14.904 -4.941 -1.222 1.00 0.00 C ATOM 207 OG1 THR A 14 -14.729 -5.449 -2.532 1.00 0.00 O ATOM 208 CG2 THR A 14 -16.390 -5.027 -0.881 1.00 0.00 C ATOM 0 H THR A 14 -14.767 -3.564 -3.195 1.00 0.00 H new ATOM 0 HA THR A 14 -15.093 -2.899 -0.514 1.00 0.00 H new ATOM 0 HB THR A 14 -14.318 -5.523 -0.511 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.818 -5.257 -2.838 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.717 -6.065 -0.940 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.554 -4.652 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.961 -4.426 -1.588 1.00 0.00 H new ATOM 216 N ASP A 15 -11.977 -3.603 -1.258 1.00 0.00 N ATOM 217 CA ASP A 15 -10.631 -3.629 -0.709 1.00 0.00 C ATOM 218 C ASP A 15 -10.061 -2.221 -0.515 1.00 0.00 C ATOM 219 O ASP A 15 -9.630 -1.850 0.572 1.00 0.00 O ATOM 220 CB ASP A 15 -9.709 -4.425 -1.646 1.00 0.00 C ATOM 221 CG ASP A 15 -10.127 -5.875 -1.877 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.846 -6.427 -1.017 1.00 0.00 O ATOM 223 OD2 ASP A 15 -9.714 -6.413 -2.930 1.00 0.00 O ATOM 0 H ASP A 15 -12.022 -3.750 -2.266 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.684 -4.106 0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.667 -3.916 -2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.700 -4.414 -1.235 1.00 0.00 H new ATOM 228 N VAL A 16 -10.004 -1.468 -1.611 1.00 0.00 N ATOM 229 CA VAL A 16 -9.383 -0.159 -1.721 1.00 0.00 C ATOM 230 C VAL A 16 -10.263 0.965 -1.193 1.00 0.00 C ATOM 231 O VAL A 16 -9.831 1.744 -0.349 1.00 0.00 O ATOM 232 CB VAL A 16 -9.002 0.102 -3.190 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.201 1.398 -3.315 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.170 -1.042 -3.776 1.00 0.00 C ATOM 0 H VAL A 16 -10.414 -1.776 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.490 -0.167 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.935 0.180 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.941 1.566 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.801 2.233 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.290 1.321 -2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.923 -0.818 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.251 -1.156 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.743 -1.968 -3.732 1.00 0.00 H new ATOM 244 N LEU A 17 -11.488 1.094 -1.699 1.00 0.00 N ATOM 245 CA LEU A 17 -12.332 2.218 -1.316 1.00 0.00 C ATOM 246 C LEU A 17 -12.705 2.172 0.166 1.00 0.00 C ATOM 247 O LEU A 17 -12.877 3.217 0.786 1.00 0.00 O ATOM 248 CB LEU A 17 -13.523 2.354 -2.269 1.00 0.00 C ATOM 249 CG LEU A 17 -13.095 2.578 -3.733 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.348 2.767 -4.594 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.183 3.801 -3.907 1.00 0.00 C ATOM 0 H LEU A 17 -11.910 0.445 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.760 3.140 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.136 1.455 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.147 3.187 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.527 1.701 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.056 2.926 -5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.974 1.877 -4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.907 3.632 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.914 3.908 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.708 4.696 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.279 3.668 -3.313 1.00 0.00 H new ATOM 263 N LYS A 18 -12.774 0.976 0.758 1.00 0.00 N ATOM 264 CA LYS A 18 -13.013 0.842 2.192 1.00 0.00 C ATOM 265 C LYS A 18 -11.694 0.856 2.987 1.00 0.00 C ATOM 266 O LYS A 18 -11.704 0.580 4.187 1.00 0.00 O ATOM 267 CB LYS A 18 -13.818 -0.428 2.487 1.00 0.00 C ATOM 268 CG LYS A 18 -15.099 -0.513 1.646 1.00 0.00 C ATOM 269 CD LYS A 18 -15.956 -1.734 2.015 1.00 0.00 C ATOM 270 CE LYS A 18 -16.518 -1.707 3.444 1.00 0.00 C ATOM 271 NZ LYS A 18 -17.285 -0.480 3.719 1.00 0.00 N ATOM 0 H LYS A 18 -12.667 0.090 0.264 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.598 1.703 2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.198 -1.303 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.078 -0.453 3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.685 0.396 1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.835 -0.562 0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.786 -1.805 1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.355 -2.635 1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.159 -2.575 3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.697 -1.787 4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.756 -0.565 4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.641 0.336 3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.000 -0.344 2.976 1.00 0.00 H new ATOM 314 N ALA A 22 -4.027 3.384 4.540 1.00 0.00 N ATOM 315 CA ALA A 22 -3.288 3.754 3.341 1.00 0.00 C ATOM 316 C ALA A 22 -3.034 2.517 2.477 1.00 0.00 C ATOM 317 O ALA A 22 -2.290 1.629 2.898 1.00 0.00 O ATOM 318 CB ALA A 22 -1.975 4.413 3.771 1.00 0.00 C ATOM 0 HA ALA A 22 -3.863 4.458 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.405 4.699 2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.191 5.300 4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.393 3.710 4.367 1.00 0.00 H new ATOM 324 N ILE A 23 -3.623 2.468 1.275 1.00 0.00 N ATOM 325 CA ILE A 23 -3.423 1.395 0.303 1.00 0.00 C ATOM 326 C ILE A 23 -2.683 1.958 -0.913 1.00 0.00 C ATOM 327 O ILE A 23 -3.120 2.952 -1.485 1.00 0.00 O ATOM 328 CB ILE A 23 -4.743 0.662 -0.056 1.00 0.00 C ATOM 329 CG1 ILE A 23 -4.953 -0.537 0.885 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.768 0.187 -1.516 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.067 -1.516 0.505 1.00 0.00 C ATOM 0 H ILE A 23 -4.265 3.190 0.948 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.801 0.618 0.748 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.555 1.379 0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.017 -1.092 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.161 -0.154 1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.712 -0.320 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.668 1.046 -2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.942 -0.503 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.116 -2.316 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.021 -0.989 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.859 -1.941 -0.477 1.00 0.00 H new ATOM 343 N LEU A 24 -1.582 1.318 -1.319 1.00 0.00 N ATOM 344 CA LEU A 24 -0.802 1.716 -2.489 1.00 0.00 C ATOM 345 C LEU A 24 -1.070 0.708 -3.597 1.00 0.00 C ATOM 346 O LEU A 24 -0.513 -0.384 -3.562 1.00 0.00 O ATOM 347 CB LEU A 24 0.684 1.790 -2.109 1.00 0.00 C ATOM 348 CG LEU A 24 1.650 2.310 -3.190 1.00 0.00 C ATOM 349 CD1 LEU A 24 2.002 1.283 -4.274 1.00 0.00 C ATOM 350 CD2 LEU A 24 1.153 3.606 -3.827 1.00 0.00 C ATOM 0 H LEU A 24 -1.206 0.501 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.090 2.705 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.779 2.430 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.010 0.793 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 24 2.575 2.513 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.686 1.733 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.477 0.417 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.093 0.968 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.865 3.936 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.183 3.434 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.056 4.374 -3.060 1.00 0.00 H new ATOM 362 N VAL A 25 -1.915 1.055 -4.573 1.00 0.00 N ATOM 363 CA VAL A 25 -2.246 0.158 -5.672 1.00 0.00 C ATOM 364 C VAL A 25 -1.278 0.348 -6.833 1.00 0.00 C ATOM 365 O VAL A 25 -1.313 1.378 -7.507 1.00 0.00 O ATOM 366 CB VAL A 25 -3.688 0.354 -6.164 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.004 -0.715 -7.221 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.699 0.239 -5.024 1.00 0.00 C ATOM 0 H VAL A 25 -2.383 1.960 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.157 -0.858 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.768 1.356 -6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.026 -0.584 -7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.313 -0.615 -8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.898 -1.706 -6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.706 0.384 -5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.625 -0.749 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.488 1.000 -4.273 1.00 0.00 H new ATOM 378 N ASP A 26 -0.454 -0.671 -7.085 1.00 0.00 N ATOM 379 CA ASP A 26 0.458 -0.723 -8.211 1.00 0.00 C ATOM 380 C ASP A 26 -0.242 -1.422 -9.375 1.00 0.00 C ATOM 381 O ASP A 26 -0.391 -2.645 -9.375 1.00 0.00 O ATOM 382 CB ASP A 26 1.739 -1.466 -7.823 1.00 0.00 C ATOM 383 CG ASP A 26 2.605 -1.727 -9.049 1.00 0.00 C ATOM 384 OD1 ASP A 26 2.749 -0.878 -9.922 1.00 0.00 O ATOM 385 OD2 ASP A 26 3.201 -2.942 -9.160 1.00 0.00 O ATOM 0 H ASP A 26 -0.407 -1.500 -6.492 1.00 0.00 H new ATOM 0 HA ASP A 26 0.737 0.287 -8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.299 -0.879 -7.095 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.485 -2.411 -7.343 1.00 0.00 H new ATOM 391 N PHE A 27 -0.640 -0.654 -10.384 1.00 0.00 N ATOM 392 CA PHE A 27 -1.251 -1.200 -11.583 1.00 0.00 C ATOM 393 C PHE A 27 -0.111 -1.727 -12.448 1.00 0.00 C ATOM 394 O PHE A 27 0.791 -0.960 -12.789 1.00 0.00 O ATOM 395 CB PHE A 27 -2.042 -0.109 -12.308 1.00 0.00 C ATOM 396 CG PHE A 27 -3.345 0.255 -11.623 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.351 1.055 -10.465 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.563 -0.222 -12.142 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.568 1.392 -9.850 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.782 0.171 -11.563 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.786 0.985 -10.419 1.00 0.00 C ATOM 0 H PHE A 27 -0.547 0.362 -10.390 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.953 -2.001 -11.351 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.422 0.784 -12.389 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.256 -0.442 -13.324 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.420 1.410 -10.049 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.561 -0.893 -12.989 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.567 1.967 -8.936 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.716 -0.153 -11.998 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.721 1.297 -9.978 1.00 0.00 H new ATOM 411 N TRP A 28 -0.134 -3.023 -12.780 1.00 0.00 N ATOM 412 CA TRP A 28 0.914 -3.673 -13.557 1.00 0.00 C ATOM 413 C TRP A 28 0.323 -4.644 -14.576 1.00 0.00 C ATOM 414 O TRP A 28 -0.893 -4.781 -14.680 1.00 0.00 O ATOM 415 CB TRP A 28 1.899 -4.367 -12.605 1.00 0.00 C ATOM 416 CG TRP A 28 1.428 -5.628 -11.951 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.508 -5.719 -10.968 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.840 -7.000 -12.234 1.00 0.00 C ATOM 419 NE1 TRP A 28 0.289 -7.044 -10.658 1.00 0.00 N ATOM 420 CE2 TRP A 28 1.059 -7.883 -11.434 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.807 -7.588 -13.077 1.00 0.00 C ATOM 422 CZ2 TRP A 28 1.182 -9.278 -11.513 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.956 -8.983 -13.149 1.00 0.00 C ATOM 424 CH2 TRP A 28 2.121 -9.831 -12.401 1.00 0.00 C ATOM 0 H TRP A 28 -0.891 -3.652 -12.511 1.00 0.00 H new ATOM 0 HA TRP A 28 1.459 -2.920 -14.126 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.809 -4.592 -13.162 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.171 -3.659 -11.822 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.018 -4.881 -10.496 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.363 -7.364 -9.942 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.443 -6.955 -13.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.564 -9.918 -10.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.719 -9.408 -13.785 1.00 0.00 H new ATOM 0 HH2 TRP A 28 2.201 -10.903 -12.508 1.00 0.00 H new ATOM 435 N ALA A 29 1.199 -5.321 -15.322 1.00 0.00 N ATOM 436 CA ALA A 29 0.846 -6.310 -16.329 1.00 0.00 C ATOM 437 C ALA A 29 1.966 -7.342 -16.407 1.00 0.00 C ATOM 438 O ALA A 29 3.121 -7.011 -16.150 1.00 0.00 O ATOM 439 CB ALA A 29 0.667 -5.631 -17.687 1.00 0.00 C ATOM 0 H ALA A 29 2.206 -5.187 -15.234 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.091 -6.797 -16.060 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.403 -6.378 -18.435 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.127 -4.888 -17.620 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.598 -5.142 -17.975 1.00 0.00 H new ATOM 445 N GLU A 30 1.641 -8.575 -16.791 1.00 0.00 N ATOM 446 CA GLU A 30 2.595 -9.674 -16.906 1.00 0.00 C ATOM 447 C GLU A 30 3.788 -9.304 -17.794 1.00 0.00 C ATOM 448 O GLU A 30 4.925 -9.659 -17.500 1.00 0.00 O ATOM 449 CB GLU A 30 1.860 -10.910 -17.437 1.00 0.00 C ATOM 450 CG GLU A 30 0.835 -11.415 -16.412 1.00 0.00 C ATOM 451 CD GLU A 30 -0.256 -12.246 -17.077 1.00 0.00 C ATOM 452 OE1 GLU A 30 0.081 -13.341 -17.571 1.00 0.00 O ATOM 453 OE2 GLU A 30 -1.408 -11.756 -17.083 1.00 0.00 O ATOM 0 H GLU A 30 0.688 -8.842 -17.036 1.00 0.00 H new ATOM 0 HA GLU A 30 3.007 -9.893 -15.921 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.356 -10.666 -18.372 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.579 -11.699 -17.659 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.341 -12.015 -15.655 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.385 -10.566 -15.897 1.00 0.00 H new ATOM 460 N TRP A 31 3.520 -8.584 -18.883 1.00 0.00 N ATOM 461 CA TRP A 31 4.529 -8.139 -19.837 1.00 0.00 C ATOM 462 C TRP A 31 5.250 -6.862 -19.380 1.00 0.00 C ATOM 463 O TRP A 31 6.202 -6.426 -20.027 1.00 0.00 O ATOM 464 CB TRP A 31 3.848 -7.937 -21.198 1.00 0.00 C ATOM 465 CG TRP A 31 2.602 -7.100 -21.177 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.341 -7.582 -21.097 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.473 -5.645 -21.194 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.446 -6.536 -21.046 1.00 0.00 N ATOM 469 CE2 TRP A 31 1.087 -5.316 -21.116 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.383 -4.568 -21.255 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.627 -3.991 -21.107 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.934 -3.234 -21.245 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.560 -2.944 -21.181 1.00 0.00 C ATOM 0 H TRP A 31 2.575 -8.289 -19.129 1.00 0.00 H new ATOM 0 HA TRP A 31 5.303 -8.903 -19.913 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.564 -7.476 -21.878 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.601 -8.915 -21.610 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.076 -8.629 -21.076 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.565 -6.649 -20.966 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.442 -4.771 -21.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.430 -3.779 -21.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.651 -2.427 -21.287 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.223 -1.918 -21.189 1.00 0.00 H new ATOM 484 N CYS A 32 4.821 -6.238 -18.280 1.00 0.00 N ATOM 485 CA CYS A 32 5.421 -4.994 -17.820 1.00 0.00 C ATOM 486 C CYS A 32 6.731 -5.256 -17.078 1.00 0.00 C ATOM 487 O CYS A 32 6.781 -5.261 -15.845 1.00 0.00 O ATOM 488 CB CYS A 32 4.446 -4.219 -16.945 1.00 0.00 C ATOM 489 SG CYS A 32 5.113 -2.636 -16.391 1.00 0.00 S ATOM 0 H CYS A 32 4.059 -6.579 -17.694 1.00 0.00 H new ATOM 0 HA CYS A 32 5.651 -4.386 -18.695 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.524 -4.046 -17.501 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.185 -4.823 -16.076 1.00 0.00 H new ATOM 494 N GLY A 33 7.802 -5.458 -17.847 1.00 0.00 N ATOM 495 CA GLY A 33 9.152 -5.666 -17.337 1.00 0.00 C ATOM 496 C GLY A 33 9.479 -4.729 -16.166 1.00 0.00 C ATOM 497 O GLY A 33 9.782 -5.214 -15.079 1.00 0.00 O ATOM 0 H GLY A 33 7.750 -5.482 -18.865 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.261 -6.701 -17.013 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.871 -5.506 -18.140 1.00 0.00 H new ATOM 501 N PRO A 34 9.408 -3.399 -16.346 1.00 0.00 N ATOM 502 CA PRO A 34 9.675 -2.432 -15.288 1.00 0.00 C ATOM 503 C PRO A 34 8.826 -2.664 -14.028 1.00 0.00 C ATOM 504 O PRO A 34 9.316 -2.518 -12.910 1.00 0.00 O ATOM 505 CB PRO A 34 9.391 -1.057 -15.901 1.00 0.00 C ATOM 506 CG PRO A 34 9.600 -1.289 -17.398 1.00 0.00 C ATOM 507 CD PRO A 34 9.088 -2.714 -17.589 1.00 0.00 C ATOM 0 HA PRO A 34 10.706 -2.525 -14.946 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.377 -0.721 -15.684 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.068 -0.296 -15.513 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.041 -0.573 -18.001 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.648 -1.194 -17.680 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.015 -2.725 -17.781 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.569 -3.196 -18.440 1.00 0.00 H new ATOM 515 N CYS A 35 7.555 -3.041 -14.196 1.00 0.00 N ATOM 516 CA CYS A 35 6.669 -3.293 -13.066 1.00 0.00 C ATOM 517 C CYS A 35 7.232 -4.457 -12.261 1.00 0.00 C ATOM 518 O CYS A 35 7.345 -4.387 -11.039 1.00 0.00 O ATOM 519 CB CYS A 35 5.231 -3.630 -13.476 1.00 0.00 C ATOM 520 SG CYS A 35 4.283 -2.472 -14.497 1.00 0.00 S ATOM 0 H CYS A 35 7.120 -3.178 -15.108 1.00 0.00 H new ATOM 0 HA CYS A 35 6.625 -2.373 -12.483 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.260 -4.581 -14.008 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.663 -3.794 -12.560 1.00 0.00 H new ATOM 525 N LYS A 36 7.600 -5.532 -12.959 1.00 0.00 N ATOM 526 CA LYS A 36 8.195 -6.692 -12.320 1.00 0.00 C ATOM 527 C LYS A 36 9.511 -6.279 -11.658 1.00 0.00 C ATOM 528 O LYS A 36 9.761 -6.641 -10.511 1.00 0.00 O ATOM 529 CB LYS A 36 8.386 -7.819 -13.339 1.00 0.00 C ATOM 530 CG LYS A 36 7.026 -8.320 -13.847 1.00 0.00 C ATOM 531 CD LYS A 36 7.169 -9.212 -15.085 1.00 0.00 C ATOM 532 CE LYS A 36 8.095 -10.418 -14.885 1.00 0.00 C ATOM 533 NZ LYS A 36 7.654 -11.269 -13.767 1.00 0.00 N ATOM 0 H LYS A 36 7.493 -5.617 -13.970 1.00 0.00 H new ATOM 0 HA LYS A 36 7.532 -7.076 -11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.985 -7.462 -14.177 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.936 -8.642 -12.882 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.526 -8.877 -13.055 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.392 -7.467 -14.086 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.182 -9.570 -15.377 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.547 -8.610 -15.911 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.125 -11.008 -15.801 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.110 -10.069 -14.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.266 -12.108 -13.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.714 -10.733 -12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.671 -11.568 -13.925 1.00 0.00 H new ATOM 547 N MET A 37 10.336 -5.495 -12.358 1.00 0.00 N ATOM 548 CA MET A 37 11.609 -5.000 -11.854 1.00 0.00 C ATOM 549 C MET A 37 11.442 -4.320 -10.492 1.00 0.00 C ATOM 550 O MET A 37 12.276 -4.523 -9.612 1.00 0.00 O ATOM 551 CB MET A 37 12.259 -4.072 -12.891 1.00 0.00 C ATOM 552 CG MET A 37 13.729 -3.780 -12.562 1.00 0.00 C ATOM 553 SD MET A 37 14.550 -2.589 -13.655 1.00 0.00 S ATOM 554 CE MET A 37 14.453 -3.444 -15.244 1.00 0.00 C ATOM 0 H MET A 37 10.129 -5.184 -13.307 1.00 0.00 H new ATOM 0 HA MET A 37 12.278 -5.846 -11.696 1.00 0.00 H new ATOM 0 HB2 MET A 37 12.193 -4.529 -13.878 1.00 0.00 H new ATOM 0 HB3 MET A 37 11.705 -3.135 -12.936 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.788 -3.409 -11.539 1.00 0.00 H new ATOM 0 HG3 MET A 37 14.284 -4.718 -12.593 1.00 0.00 H new ATOM 0 HE1 MET A 37 15.054 -2.912 -15.981 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.830 -4.461 -15.134 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.416 -3.476 -15.577 1.00 0.00 H new ATOM 564 N ILE A 38 10.383 -3.521 -10.301 1.00 0.00 N ATOM 565 CA ILE A 38 10.143 -2.868 -9.014 1.00 0.00 C ATOM 566 C ILE A 38 9.418 -3.776 -8.008 1.00 0.00 C ATOM 567 O ILE A 38 9.308 -3.405 -6.841 1.00 0.00 O ATOM 568 CB ILE A 38 9.446 -1.502 -9.174 1.00 0.00 C ATOM 569 CG1 ILE A 38 8.006 -1.621 -9.702 1.00 0.00 C ATOM 570 CG2 ILE A 38 10.289 -0.582 -10.068 1.00 0.00 C ATOM 571 CD1 ILE A 38 7.217 -0.314 -9.576 1.00 0.00 C ATOM 0 H ILE A 38 9.686 -3.315 -11.017 1.00 0.00 H new ATOM 0 HA ILE A 38 11.127 -2.672 -8.588 1.00 0.00 H new ATOM 0 HB ILE A 38 9.367 -1.062 -8.180 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.032 -1.925 -10.748 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.487 -2.408 -9.154 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.788 0.380 -10.175 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.269 -0.433 -9.615 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.409 -1.039 -11.050 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.209 -0.459 -9.964 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.163 -0.021 -8.527 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.717 0.469 -10.146 1.00 0.00 H new ATOM 583 N ALA A 39 8.922 -4.956 -8.405 1.00 0.00 N ATOM 584 CA ALA A 39 8.210 -5.846 -7.490 1.00 0.00 C ATOM 585 C ALA A 39 8.990 -6.126 -6.194 1.00 0.00 C ATOM 586 O ALA A 39 8.420 -5.931 -5.121 1.00 0.00 O ATOM 587 CB ALA A 39 7.691 -7.109 -8.187 1.00 0.00 C ATOM 0 H ALA A 39 9.003 -5.313 -9.357 1.00 0.00 H new ATOM 0 HA ALA A 39 7.320 -5.307 -7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.170 -7.736 -7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.004 -6.828 -8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.530 -7.662 -8.609 1.00 0.00 H new ATOM 593 N PRO A 40 10.273 -6.533 -6.237 1.00 0.00 N ATOM 594 CA PRO A 40 11.069 -6.737 -5.034 1.00 0.00 C ATOM 595 C PRO A 40 11.062 -5.494 -4.138 1.00 0.00 C ATOM 596 O PRO A 40 10.928 -5.611 -2.921 1.00 0.00 O ATOM 597 CB PRO A 40 12.487 -7.068 -5.514 1.00 0.00 C ATOM 598 CG PRO A 40 12.256 -7.645 -6.908 1.00 0.00 C ATOM 599 CD PRO A 40 11.083 -6.808 -7.412 1.00 0.00 C ATOM 0 HA PRO A 40 10.659 -7.544 -4.426 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.119 -6.181 -5.545 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.977 -7.786 -4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.135 -7.539 -7.544 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.014 -8.707 -6.874 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.430 -5.884 -7.875 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.511 -7.348 -8.166 1.00 0.00 H new ATOM 607 N ILE A 41 11.178 -4.302 -4.737 1.00 0.00 N ATOM 608 CA ILE A 41 11.142 -3.051 -3.991 1.00 0.00 C ATOM 609 C ILE A 41 9.776 -2.945 -3.314 1.00 0.00 C ATOM 610 O ILE A 41 9.712 -2.725 -2.110 1.00 0.00 O ATOM 611 CB ILE A 41 11.447 -1.828 -4.885 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.798 -1.985 -5.608 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.457 -0.553 -4.026 1.00 0.00 C ATOM 614 CD1 ILE A 41 13.088 -0.833 -6.577 1.00 0.00 C ATOM 0 H ILE A 41 11.298 -4.184 -5.743 1.00 0.00 H new ATOM 0 HA ILE A 41 11.927 -3.054 -3.235 1.00 0.00 H new ATOM 0 HB ILE A 41 10.668 -1.755 -5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.597 -2.042 -4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.804 -2.927 -6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.672 0.309 -4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.482 -0.424 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.223 -0.639 -3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.052 -0.996 -7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.307 -0.790 -7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.111 0.108 -6.027 1.00 0.00 H new ATOM 626 N LEU A 42 8.685 -3.121 -4.066 1.00 0.00 N ATOM 627 CA LEU A 42 7.338 -3.068 -3.505 1.00 0.00 C ATOM 628 C LEU A 42 7.195 -4.054 -2.339 1.00 0.00 C ATOM 629 O LEU A 42 6.638 -3.700 -1.304 1.00 0.00 O ATOM 630 CB LEU A 42 6.276 -3.313 -4.589 1.00 0.00 C ATOM 631 CG LEU A 42 6.219 -2.226 -5.675 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.331 -2.697 -6.830 1.00 0.00 C ATOM 633 CD2 LEU A 42 5.648 -0.908 -5.136 1.00 0.00 C ATOM 0 H LEU A 42 8.713 -3.302 -5.069 1.00 0.00 H new ATOM 0 HA LEU A 42 7.172 -2.065 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.473 -4.274 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.298 -3.387 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 42 7.240 -2.052 -6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.293 -1.924 -7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.743 -3.612 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.324 -2.890 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.625 -0.167 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.636 -1.074 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.276 -0.545 -4.323 1.00 0.00 H new ATOM 645 N ASP A 43 7.705 -5.283 -2.483 1.00 0.00 N ATOM 646 CA ASP A 43 7.651 -6.287 -1.422 1.00 0.00 C ATOM 647 C ASP A 43 8.406 -5.783 -0.190 1.00 0.00 C ATOM 648 O ASP A 43 7.871 -5.750 0.918 1.00 0.00 O ATOM 649 CB ASP A 43 8.247 -7.622 -1.898 1.00 0.00 C ATOM 650 CG ASP A 43 7.464 -8.273 -3.034 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.230 -8.396 -2.879 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.115 -8.661 -4.028 1.00 0.00 O ATOM 0 H ASP A 43 8.164 -5.605 -3.335 1.00 0.00 H new ATOM 0 HA ASP A 43 6.606 -6.455 -1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.273 -7.455 -2.225 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.289 -8.312 -1.055 1.00 0.00 H new ATOM 657 N GLU A 44 9.659 -5.373 -0.386 1.00 0.00 N ATOM 658 CA GLU A 44 10.499 -4.860 0.685 1.00 0.00 C ATOM 659 C GLU A 44 9.791 -3.706 1.402 1.00 0.00 C ATOM 660 O GLU A 44 9.718 -3.681 2.627 1.00 0.00 O ATOM 661 CB GLU A 44 11.855 -4.450 0.100 1.00 0.00 C ATOM 662 CG GLU A 44 12.871 -4.125 1.200 1.00 0.00 C ATOM 663 CD GLU A 44 14.259 -3.882 0.619 1.00 0.00 C ATOM 664 OE1 GLU A 44 14.346 -3.077 -0.333 1.00 0.00 O ATOM 665 OE2 GLU A 44 15.214 -4.497 1.142 1.00 0.00 O ATOM 0 H GLU A 44 10.117 -5.389 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 44 10.678 -5.631 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.240 -5.256 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.726 -3.581 -0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.545 -3.242 1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.912 -4.947 1.914 1.00 0.00 H new ATOM 672 N ILE A 45 9.238 -2.767 0.635 1.00 0.00 N ATOM 673 CA ILE A 45 8.483 -1.635 1.147 1.00 0.00 C ATOM 674 C ILE A 45 7.286 -2.140 1.955 1.00 0.00 C ATOM 675 O ILE A 45 7.061 -1.665 3.064 1.00 0.00 O ATOM 676 CB ILE A 45 8.069 -0.725 -0.020 1.00 0.00 C ATOM 677 CG1 ILE A 45 9.287 0.001 -0.619 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.967 0.271 0.356 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.814 1.176 0.208 1.00 0.00 C ATOM 0 H ILE A 45 9.307 -2.777 -0.383 1.00 0.00 H new ATOM 0 HA ILE A 45 9.098 -1.038 1.821 1.00 0.00 H new ATOM 0 HB ILE A 45 7.646 -1.380 -0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.093 -0.721 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.021 0.365 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.720 0.884 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.080 -0.273 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.316 0.912 1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.671 1.621 -0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.029 1.924 0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.117 0.821 1.193 1.00 0.00 H new ATOM 691 N ALA A 46 6.529 -3.103 1.420 1.00 0.00 N ATOM 692 CA ALA A 46 5.386 -3.684 2.113 1.00 0.00 C ATOM 693 C ALA A 46 5.812 -4.176 3.496 1.00 0.00 C ATOM 694 O ALA A 46 5.108 -3.953 4.479 1.00 0.00 O ATOM 695 CB ALA A 46 4.766 -4.813 1.283 1.00 0.00 C ATOM 0 H ALA A 46 6.695 -3.498 0.495 1.00 0.00 H new ATOM 0 HA ALA A 46 4.622 -2.918 2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.915 -5.233 1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.432 -4.418 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.510 -5.592 1.116 1.00 0.00 H new ATOM 701 N ASP A 47 6.978 -4.819 3.576 1.00 0.00 N ATOM 702 CA ASP A 47 7.513 -5.275 4.850 1.00 0.00 C ATOM 703 C ASP A 47 7.896 -4.076 5.729 1.00 0.00 C ATOM 704 O ASP A 47 7.410 -3.954 6.853 1.00 0.00 O ATOM 705 CB ASP A 47 8.691 -6.226 4.618 1.00 0.00 C ATOM 706 CG ASP A 47 9.164 -6.860 5.921 1.00 0.00 C ATOM 707 OD1 ASP A 47 9.771 -6.127 6.729 1.00 0.00 O ATOM 708 OD2 ASP A 47 8.906 -8.073 6.085 1.00 0.00 O ATOM 0 H ASP A 47 7.566 -5.033 2.771 1.00 0.00 H new ATOM 0 HA ASP A 47 6.745 -5.833 5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.396 -7.008 3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.515 -5.680 4.158 1.00 0.00 H new ATOM 713 N GLU A 48 8.765 -3.191 5.235 1.00 0.00 N ATOM 714 CA GLU A 48 9.240 -2.024 5.971 1.00 0.00 C ATOM 715 C GLU A 48 8.094 -1.200 6.567 1.00 0.00 C ATOM 716 O GLU A 48 8.161 -0.785 7.720 1.00 0.00 O ATOM 717 CB GLU A 48 10.104 -1.154 5.048 1.00 0.00 C ATOM 718 CG GLU A 48 11.484 -1.767 4.764 1.00 0.00 C ATOM 719 CD GLU A 48 12.329 -0.915 3.816 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.883 0.204 3.474 1.00 0.00 O ATOM 721 OE2 GLU A 48 13.425 -1.394 3.451 1.00 0.00 O ATOM 0 H GLU A 48 9.162 -3.269 4.299 1.00 0.00 H new ATOM 0 HA GLU A 48 9.837 -2.381 6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.579 -1.002 4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.235 -0.172 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.020 -1.895 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.354 -2.760 4.334 1.00 0.00 H new ATOM 728 N TYR A 49 7.052 -0.954 5.772 1.00 0.00 N ATOM 729 CA TYR A 49 5.895 -0.163 6.163 1.00 0.00 C ATOM 730 C TYR A 49 4.730 -1.048 6.627 1.00 0.00 C ATOM 731 O TYR A 49 3.585 -0.592 6.617 1.00 0.00 O ATOM 732 CB TYR A 49 5.471 0.748 4.995 1.00 0.00 C ATOM 733 CG TYR A 49 6.424 1.877 4.643 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.641 1.605 3.995 1.00 0.00 C ATOM 735 CD2 TYR A 49 6.042 3.217 4.861 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.480 2.655 3.591 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.859 4.270 4.411 1.00 0.00 C ATOM 738 CZ TYR A 49 8.080 3.988 3.776 1.00 0.00 C ATOM 739 OH TYR A 49 8.873 4.999 3.321 1.00 0.00 O ATOM 0 H TYR A 49 6.992 -1.309 4.818 1.00 0.00 H new ATOM 0 HA TYR A 49 6.176 0.458 7.014 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.334 0.128 4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.500 1.182 5.234 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.932 0.582 3.807 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.118 3.436 5.376 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.435 2.437 3.137 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.548 5.294 4.554 1.00 0.00 H new ATOM 0 HH TYR A 49 8.454 5.861 3.526 1.00 0.00 H new ATOM 749 N GLN A 50 4.978 -2.299 7.042 1.00 0.00 N ATOM 750 CA GLN A 50 3.905 -3.172 7.497 1.00 0.00 C ATOM 751 C GLN A 50 3.097 -2.482 8.603 1.00 0.00 C ATOM 752 O GLN A 50 3.667 -1.950 9.553 1.00 0.00 O ATOM 753 CB GLN A 50 4.467 -4.534 7.923 1.00 0.00 C ATOM 754 CG GLN A 50 5.341 -4.484 9.186 1.00 0.00 C ATOM 755 CD GLN A 50 6.068 -5.808 9.400 1.00 0.00 C ATOM 756 OE1 GLN A 50 5.620 -6.658 10.162 1.00 0.00 O ATOM 757 NE2 GLN A 50 7.190 -6.002 8.718 1.00 0.00 N ATOM 0 H GLN A 50 5.907 -2.719 7.069 1.00 0.00 H new ATOM 0 HA GLN A 50 3.215 -3.365 6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.637 -5.220 8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.056 -4.945 7.103 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.067 -3.676 9.098 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.720 -4.261 10.054 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.538 -5.276 8.091 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.704 -6.877 8.820 1.00 0.00 H new ATOM 766 N GLY A 51 1.771 -2.440 8.459 1.00 0.00 N ATOM 767 CA GLY A 51 0.893 -1.785 9.420 1.00 0.00 C ATOM 768 C GLY A 51 0.734 -0.282 9.161 1.00 0.00 C ATOM 769 O GLY A 51 -0.237 0.308 9.629 1.00 0.00 O ATOM 0 H GLY A 51 1.279 -2.861 7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.088 -2.259 9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.288 -1.935 10.425 1.00 0.00 H new ATOM 773 N LYS A 52 1.652 0.341 8.412 1.00 0.00 N ATOM 774 CA LYS A 52 1.599 1.761 8.084 1.00 0.00 C ATOM 775 C LYS A 52 1.022 1.936 6.679 1.00 0.00 C ATOM 776 O LYS A 52 0.187 2.811 6.455 1.00 0.00 O ATOM 777 CB LYS A 52 3.005 2.374 8.135 1.00 0.00 C ATOM 778 CG LYS A 52 3.642 2.288 9.528 1.00 0.00 C ATOM 779 CD LYS A 52 5.099 2.775 9.516 1.00 0.00 C ATOM 780 CE LYS A 52 5.242 4.233 9.057 1.00 0.00 C ATOM 781 NZ LYS A 52 6.632 4.700 9.195 1.00 0.00 N ATOM 0 H LYS A 52 2.460 -0.137 8.014 1.00 0.00 H new ATOM 0 HA LYS A 52 0.965 2.268 8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.645 1.863 7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.952 3.419 7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.063 2.888 10.231 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.605 1.258 9.882 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.518 2.672 10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.685 2.134 8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.927 4.322 8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.581 4.869 9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.699 5.688 8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.922 4.636 10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.257 4.106 8.613 1.00 0.00 H new ATOM 795 N LEU A 53 1.482 1.113 5.735 1.00 0.00 N ATOM 796 CA LEU A 53 1.067 1.148 4.343 1.00 0.00 C ATOM 797 C LEU A 53 0.746 -0.270 3.891 1.00 0.00 C ATOM 798 O LEU A 53 1.528 -1.188 4.130 1.00 0.00 O ATOM 799 CB LEU A 53 2.225 1.697 3.505 1.00 0.00 C ATOM 800 CG LEU A 53 1.876 1.896 2.024 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.046 3.169 1.834 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.182 1.999 1.236 1.00 0.00 C ATOM 0 H LEU A 53 2.171 0.387 5.929 1.00 0.00 H new ATOM 0 HA LEU A 53 0.187 1.780 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.545 2.651 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.072 1.015 3.581 1.00 0.00 H new ATOM 0 HG LEU A 53 1.284 1.053 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.808 3.294 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.122 3.090 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.616 4.030 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.959 2.141 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.762 2.847 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.758 1.083 1.365 1.00 0.00 H new ATOM 814 N THR A 54 -0.382 -0.438 3.207 1.00 0.00 N ATOM 815 CA THR A 54 -0.792 -1.708 2.638 1.00 0.00 C ATOM 816 C THR A 54 -0.468 -1.647 1.145 1.00 0.00 C ATOM 817 O THR A 54 -1.149 -0.967 0.379 1.00 0.00 O ATOM 818 CB THR A 54 -2.277 -1.910 2.952 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.434 -1.998 4.352 1.00 0.00 O ATOM 820 CG2 THR A 54 -2.851 -3.180 2.316 1.00 0.00 C ATOM 0 H THR A 54 -1.043 0.319 3.033 1.00 0.00 H new ATOM 0 HA THR A 54 -0.270 -2.569 3.055 1.00 0.00 H new ATOM 0 HB THR A 54 -2.818 -1.060 2.536 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.381 -2.126 4.568 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.906 -3.271 2.573 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.745 -3.124 1.233 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.311 -4.050 2.689 1.00 0.00 H new ATOM 828 N VAL A 55 0.582 -2.346 0.712 1.00 0.00 N ATOM 829 CA VAL A 55 0.949 -2.352 -0.693 1.00 0.00 C ATOM 830 C VAL A 55 0.003 -3.322 -1.399 1.00 0.00 C ATOM 831 O VAL A 55 -0.334 -4.379 -0.868 1.00 0.00 O ATOM 832 CB VAL A 55 2.426 -2.743 -0.855 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.838 -2.798 -2.330 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.341 -1.724 -0.163 1.00 0.00 C ATOM 0 H VAL A 55 1.185 -2.909 1.313 1.00 0.00 H new ATOM 0 HA VAL A 55 0.849 -1.363 -1.140 1.00 0.00 H new ATOM 0 HB VAL A 55 2.533 -3.728 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.889 -3.078 -2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.228 -3.536 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.690 -1.819 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.381 -2.023 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.189 -0.739 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.104 -1.685 0.900 1.00 0.00 H new ATOM 844 N ALA A 56 -0.451 -2.953 -2.592 1.00 0.00 N ATOM 845 CA ALA A 56 -1.371 -3.737 -3.381 1.00 0.00 C ATOM 846 C ALA A 56 -0.915 -3.727 -4.832 1.00 0.00 C ATOM 847 O ALA A 56 -0.231 -2.805 -5.272 1.00 0.00 O ATOM 848 CB ALA A 56 -2.784 -3.173 -3.218 1.00 0.00 C ATOM 0 H ALA A 56 -0.178 -2.078 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.386 -4.773 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.482 -3.763 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.074 -3.217 -2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.804 -2.137 -3.557 1.00 0.00 H new ATOM 854 N LYS A 57 -1.298 -4.758 -5.578 1.00 0.00 N ATOM 855 CA LYS A 57 -1.001 -4.912 -6.987 1.00 0.00 C ATOM 856 C LYS A 57 -2.285 -5.286 -7.711 1.00 0.00 C ATOM 857 O LYS A 57 -3.131 -5.989 -7.157 1.00 0.00 O ATOM 858 CB LYS A 57 0.041 -6.015 -7.196 1.00 0.00 C ATOM 859 CG LYS A 57 1.489 -5.520 -7.183 1.00 0.00 C ATOM 860 CD LYS A 57 2.401 -6.745 -7.365 1.00 0.00 C ATOM 861 CE LYS A 57 3.883 -6.400 -7.483 1.00 0.00 C ATOM 862 NZ LYS A 57 4.171 -5.554 -8.656 1.00 0.00 N ATOM 0 H LYS A 57 -1.842 -5.533 -5.200 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.600 -3.977 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.081 -6.767 -6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.154 -6.508 -8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.654 -4.798 -7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.712 -5.013 -6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.261 -7.419 -6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.092 -7.287 -8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.207 -5.885 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.463 -7.320 -7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.199 -5.431 -8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.796 -6.009 -9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.721 -4.625 -8.533 1.00 0.00 H new ATOM 876 N LEU A 58 -2.407 -4.839 -8.962 1.00 0.00 N ATOM 877 CA LEU A 58 -3.528 -5.178 -9.819 1.00 0.00 C ATOM 878 C LEU A 58 -2.992 -5.449 -11.221 1.00 0.00 C ATOM 879 O LEU A 58 -2.373 -4.576 -11.827 1.00 0.00 O ATOM 880 CB LEU A 58 -4.584 -4.071 -9.772 1.00 0.00 C ATOM 881 CG LEU A 58 -5.823 -4.426 -10.616 1.00 0.00 C ATOM 882 CD1 LEU A 58 -7.070 -3.866 -9.937 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.730 -3.810 -12.019 1.00 0.00 C ATOM 0 H LEU A 58 -1.722 -4.227 -9.406 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.031 -6.081 -9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.885 -3.900 -8.739 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.151 -3.140 -10.136 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.875 -5.511 -10.702 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.950 -4.114 -10.530 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.169 -4.300 -8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.983 -2.783 -9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.617 -4.077 -12.593 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.664 -2.725 -11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.843 -4.190 -12.525 1.00 0.00 H new ATOM 895 N ASN A 59 -3.224 -6.666 -11.724 1.00 0.00 N ATOM 896 CA ASN A 59 -2.805 -7.057 -13.059 1.00 0.00 C ATOM 897 C ASN A 59 -3.888 -6.614 -14.042 1.00 0.00 C ATOM 898 O ASN A 59 -4.969 -7.209 -14.088 1.00 0.00 O ATOM 899 CB ASN A 59 -2.559 -8.565 -13.151 1.00 0.00 C ATOM 900 CG ASN A 59 -2.198 -8.984 -14.577 1.00 0.00 C ATOM 901 OD1 ASN A 59 -2.032 -8.156 -15.468 1.00 0.00 O ATOM 902 ND2 ASN A 59 -2.106 -10.282 -14.821 1.00 0.00 N ATOM 0 H ASN A 59 -3.708 -7.402 -11.211 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.858 -6.575 -13.303 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.754 -8.846 -12.472 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.451 -9.101 -12.827 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.894 -10.610 -15.763 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.247 -10.954 -14.067 1.00 0.00 H new ATOM 909 N ILE A 60 -3.591 -5.577 -14.823 1.00 0.00 N ATOM 910 CA ILE A 60 -4.505 -5.023 -15.809 1.00 0.00 C ATOM 911 C ILE A 60 -4.822 -6.021 -16.926 1.00 0.00 C ATOM 912 O ILE A 60 -5.880 -5.920 -17.537 1.00 0.00 O ATOM 913 CB ILE A 60 -3.985 -3.679 -16.351 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.684 -3.830 -17.157 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.789 -2.681 -15.200 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.937 -3.808 -18.666 1.00 0.00 C ATOM 0 H ILE A 60 -2.694 -5.094 -14.785 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.451 -4.824 -15.306 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.741 -3.297 -17.037 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.999 -3.025 -16.893 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.196 -4.766 -16.885 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.421 -1.735 -15.597 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.741 -2.517 -14.695 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.066 -3.082 -14.490 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.990 -3.918 -19.195 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.601 -4.629 -18.936 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.400 -2.861 -18.943 1.00 0.00 H new ATOM 928 N ASP A 61 -3.949 -7.004 -17.190 1.00 0.00 N ATOM 929 CA ASP A 61 -4.234 -8.007 -18.215 1.00 0.00 C ATOM 930 C ASP A 61 -5.491 -8.777 -17.817 1.00 0.00 C ATOM 931 O ASP A 61 -6.394 -8.985 -18.622 1.00 0.00 O ATOM 932 CB ASP A 61 -3.071 -8.992 -18.389 1.00 0.00 C ATOM 933 CG ASP A 61 -1.765 -8.339 -18.828 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.820 -7.495 -19.750 1.00 0.00 O ATOM 935 OD2 ASP A 61 -0.722 -8.711 -18.243 1.00 0.00 O ATOM 0 H ASP A 61 -3.055 -7.122 -16.714 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.379 -7.492 -19.164 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.906 -9.513 -17.446 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.354 -9.745 -19.124 1.00 0.00 H new ATOM 940 N GLN A 62 -5.537 -9.191 -16.548 1.00 0.00 N ATOM 941 CA GLN A 62 -6.667 -9.911 -15.985 1.00 0.00 C ATOM 942 C GLN A 62 -7.825 -8.950 -15.712 1.00 0.00 C ATOM 943 O GLN A 62 -8.986 -9.332 -15.829 1.00 0.00 O ATOM 944 CB GLN A 62 -6.234 -10.607 -14.689 1.00 0.00 C ATOM 945 CG GLN A 62 -5.238 -11.743 -14.947 1.00 0.00 C ATOM 946 CD GLN A 62 -4.690 -12.296 -13.634 1.00 0.00 C ATOM 947 OE1 GLN A 62 -3.546 -12.037 -13.269 1.00 0.00 O ATOM 948 NE2 GLN A 62 -5.504 -13.048 -12.901 1.00 0.00 N ATOM 0 H GLN A 62 -4.781 -9.031 -15.882 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.006 -10.662 -16.698 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.782 -9.875 -14.019 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.113 -11.005 -14.181 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.727 -12.541 -15.506 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.416 -11.379 -15.564 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.449 -13.246 -13.230 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.184 -13.427 -12.010 1.00 0.00 H new ATOM 957 N ASN A 63 -7.506 -7.719 -15.305 1.00 0.00 N ATOM 958 CA ASN A 63 -8.478 -6.704 -14.908 1.00 0.00 C ATOM 959 C ASN A 63 -8.380 -5.465 -15.807 1.00 0.00 C ATOM 960 O ASN A 63 -7.937 -4.414 -15.345 1.00 0.00 O ATOM 961 CB ASN A 63 -8.212 -6.335 -13.444 1.00 0.00 C ATOM 962 CG ASN A 63 -8.216 -7.545 -12.524 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.260 -7.928 -12.003 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.048 -8.147 -12.316 1.00 0.00 N ATOM 0 H ASN A 63 -6.541 -7.395 -15.242 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.488 -7.099 -15.017 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.249 -5.831 -13.370 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.969 -5.626 -13.109 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.996 -8.961 -11.703 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.205 -7.795 -12.770 1.00 0.00 H new ATOM 971 N PRO A 64 -8.785 -5.551 -17.083 1.00 0.00 N ATOM 972 CA PRO A 64 -8.674 -4.438 -18.012 1.00 0.00 C ATOM 973 C PRO A 64 -9.479 -3.220 -17.561 1.00 0.00 C ATOM 974 O PRO A 64 -8.925 -2.131 -17.461 1.00 0.00 O ATOM 975 CB PRO A 64 -9.119 -4.982 -19.374 1.00 0.00 C ATOM 976 CG PRO A 64 -9.974 -6.205 -19.032 1.00 0.00 C ATOM 977 CD PRO A 64 -9.332 -6.724 -17.747 1.00 0.00 C ATOM 0 HA PRO A 64 -7.650 -4.068 -18.064 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -9.691 -4.240 -19.931 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.264 -5.255 -19.992 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.020 -5.937 -18.881 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.948 -6.951 -19.826 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.066 -7.225 -17.116 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.550 -7.451 -17.965 1.00 0.00 H new ATOM 985 N GLY A 65 -10.778 -3.396 -17.300 1.00 0.00 N ATOM 986 CA GLY A 65 -11.705 -2.335 -16.912 1.00 0.00 C ATOM 987 C GLY A 65 -11.141 -1.335 -15.898 1.00 0.00 C ATOM 988 O GLY A 65 -11.365 -0.129 -16.012 1.00 0.00 O ATOM 0 H GLY A 65 -11.225 -4.311 -17.356 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.010 -1.792 -17.807 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.603 -2.790 -16.493 1.00 0.00 H new ATOM 992 N THR A 66 -10.411 -1.827 -14.896 1.00 0.00 N ATOM 993 CA THR A 66 -9.843 -0.993 -13.854 1.00 0.00 C ATOM 994 C THR A 66 -8.872 0.054 -14.411 1.00 0.00 C ATOM 995 O THR A 66 -8.783 1.156 -13.868 1.00 0.00 O ATOM 996 CB THR A 66 -9.200 -1.890 -12.787 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.822 -3.159 -12.808 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.396 -1.293 -11.390 1.00 0.00 C ATOM 0 H THR A 66 -10.201 -2.819 -14.790 1.00 0.00 H new ATOM 0 HA THR A 66 -10.642 -0.417 -13.387 1.00 0.00 H new ATOM 0 HB THR A 66 -8.135 -1.972 -13.005 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.794 -3.048 -12.752 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.933 -1.944 -10.648 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.933 -0.307 -11.347 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.462 -1.203 -11.179 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.161 -0.266 -15.499 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.224 0.672 -16.103 1.00 0.00 C ATOM 1008 C ALA A 67 -7.954 1.940 -16.573 1.00 0.00 C ATOM 1009 O ALA A 67 -7.723 2.991 -15.974 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.306 -0.008 -17.129 1.00 0.00 C ATOM 0 H ALA A 67 -8.221 -1.167 -15.974 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.522 1.025 -15.348 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.625 0.730 -17.553 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.731 -0.793 -16.638 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.910 -0.444 -17.925 1.00 0.00 H new ATOM 1016 N PRO A 68 -8.843 1.901 -17.584 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.629 3.065 -17.971 1.00 0.00 C ATOM 1018 C PRO A 68 -10.306 3.732 -16.768 1.00 0.00 C ATOM 1019 O PRO A 68 -10.203 4.949 -16.621 1.00 0.00 O ATOM 1020 CB PRO A 68 -10.665 2.564 -18.981 1.00 0.00 C ATOM 1021 CG PRO A 68 -9.966 1.366 -19.613 1.00 0.00 C ATOM 1022 CD PRO A 68 -9.198 0.774 -18.432 1.00 0.00 C ATOM 0 HA PRO A 68 -8.987 3.832 -18.404 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.598 2.278 -18.496 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.911 3.326 -19.721 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.678 0.655 -20.032 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.300 1.665 -20.422 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.810 0.054 -17.889 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.308 0.244 -18.771 1.00 0.00 H new ATOM 1030 N LYS A 69 -10.981 2.950 -15.908 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.666 3.490 -14.733 1.00 0.00 C ATOM 1032 C LYS A 69 -10.765 4.434 -13.932 1.00 0.00 C ATOM 1033 O LYS A 69 -11.192 5.535 -13.591 1.00 0.00 O ATOM 1034 CB LYS A 69 -12.184 2.364 -13.830 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.436 1.688 -14.403 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.804 0.404 -13.639 1.00 0.00 C ATOM 1037 CE LYS A 69 -13.997 0.599 -12.129 1.00 0.00 C ATOM 1038 NZ LYS A 69 -15.023 1.613 -11.829 1.00 0.00 N ATOM 0 H LYS A 69 -11.064 1.939 -16.010 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.516 4.066 -15.099 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.400 1.619 -13.697 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.411 2.768 -12.843 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.273 2.385 -14.364 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.269 1.449 -15.453 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.722 -0.005 -14.061 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.021 -0.337 -13.800 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.282 -0.350 -11.675 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.050 0.897 -11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.158 1.677 -10.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.716 2.536 -12.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.921 1.342 -12.279 1.00 0.00 H new ATOM 1130 N ILE A 75 1.861 2.010 -17.265 1.00 0.00 N ATOM 1131 CA ILE A 75 2.205 1.217 -16.091 1.00 0.00 C ATOM 1132 C ILE A 75 3.738 1.127 -16.011 1.00 0.00 C ATOM 1133 O ILE A 75 4.380 1.214 -17.059 1.00 0.00 O ATOM 1134 CB ILE A 75 1.548 -0.178 -16.172 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.845 -0.876 -17.511 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.033 -0.095 -15.923 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.283 -2.297 -17.551 1.00 0.00 C ATOM 0 HA ILE A 75 1.827 1.688 -15.183 1.00 0.00 H new ATOM 0 HB ILE A 75 1.990 -0.785 -15.382 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.417 -0.293 -18.327 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.922 -0.907 -17.673 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.401 -1.093 -15.987 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.151 0.318 -14.931 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.425 0.548 -16.675 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.515 -2.753 -18.513 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.731 -2.888 -16.752 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.202 -2.265 -17.416 1.00 0.00 H new ATOM 1149 N PRO A 76 4.353 0.962 -14.824 1.00 0.00 N ATOM 1150 CA PRO A 76 3.715 0.866 -13.519 1.00 0.00 C ATOM 1151 C PRO A 76 3.127 2.216 -13.124 1.00 0.00 C ATOM 1152 O PRO A 76 3.702 3.254 -13.442 1.00 0.00 O ATOM 1153 CB PRO A 76 4.819 0.461 -12.537 1.00 0.00 C ATOM 1154 CG PRO A 76 6.090 0.998 -13.190 1.00 0.00 C ATOM 1155 CD PRO A 76 5.797 0.876 -14.687 1.00 0.00 C ATOM 0 HA PRO A 76 2.900 0.142 -13.523 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.659 0.897 -11.551 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.862 -0.620 -12.404 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.285 2.031 -12.901 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.966 0.416 -12.903 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.289 1.671 -15.246 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.170 -0.069 -15.081 1.00 0.00 H new ATOM 1163 N THR A 77 1.984 2.191 -12.440 1.00 0.00 N ATOM 1164 CA THR A 77 1.307 3.385 -11.961 1.00 0.00 C ATOM 1165 C THR A 77 0.854 3.076 -10.538 1.00 0.00 C ATOM 1166 O THR A 77 0.182 2.066 -10.320 1.00 0.00 O ATOM 1167 CB THR A 77 0.178 3.773 -12.920 1.00 0.00 C ATOM 1168 OG1 THR A 77 0.758 4.227 -14.125 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.676 4.909 -12.362 1.00 0.00 C ATOM 0 H THR A 77 1.499 1.326 -12.202 1.00 0.00 H new ATOM 0 HA THR A 77 1.954 4.262 -11.935 1.00 0.00 H new ATOM 0 HB THR A 77 -0.456 2.899 -13.069 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.050 4.479 -14.754 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.465 5.154 -13.073 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.122 4.599 -11.417 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.051 5.787 -12.197 1.00 0.00 H new ATOM 1177 N LEU A 78 1.281 3.907 -9.584 1.00 0.00 N ATOM 1178 CA LEU A 78 1.080 3.712 -8.161 1.00 0.00 C ATOM 1179 C LEU A 78 0.031 4.698 -7.649 1.00 0.00 C ATOM 1180 O LEU A 78 0.343 5.876 -7.477 1.00 0.00 O ATOM 1181 CB LEU A 78 2.424 3.909 -7.432 1.00 0.00 C ATOM 1182 CG LEU A 78 3.646 3.244 -8.093 1.00 0.00 C ATOM 1183 CD1 LEU A 78 4.890 3.505 -7.235 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.465 1.734 -8.250 1.00 0.00 C ATOM 0 H LEU A 78 1.794 4.763 -9.797 1.00 0.00 H new ATOM 0 HA LEU A 78 0.719 2.702 -7.968 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.617 4.978 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.327 3.521 -6.418 1.00 0.00 H new ATOM 0 HG LEU A 78 3.759 3.677 -9.087 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.757 3.036 -7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.058 4.579 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.740 3.086 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.351 1.308 -8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.322 1.281 -7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.593 1.535 -8.873 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.195 4.233 -7.391 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.262 5.066 -6.841 1.00 0.00 C ATOM 1198 C LEU A 79 -2.246 4.894 -5.324 1.00 0.00 C ATOM 1199 O LEU A 79 -2.506 3.793 -4.836 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.642 4.660 -7.386 1.00 0.00 C ATOM 1201 CG LEU A 79 -4.057 5.385 -8.670 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -3.121 5.076 -9.836 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.506 5.060 -9.043 1.00 0.00 C ATOM 0 H LEU A 79 -1.473 3.266 -7.559 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.091 6.103 -7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.643 3.586 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.392 4.850 -6.618 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.982 6.453 -8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.456 5.613 -10.724 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.108 5.390 -9.583 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.129 4.004 -10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.773 5.588 -9.958 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.609 3.986 -9.200 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.168 5.374 -8.236 1.00 0.00 H new ATOM 1215 N LEU A 80 -1.955 5.964 -4.579 1.00 0.00 N ATOM 1216 CA LEU A 80 -1.934 5.925 -3.124 1.00 0.00 C ATOM 1217 C LEU A 80 -3.293 6.371 -2.592 1.00 0.00 C ATOM 1218 O LEU A 80 -3.579 7.564 -2.524 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.764 6.764 -2.599 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.585 6.742 -1.067 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -1.039 5.455 -0.363 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.907 6.906 -0.770 1.00 0.00 C ATOM 0 H LEU A 80 -1.728 6.878 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.768 4.910 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.156 6.408 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.904 7.797 -2.919 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.216 7.545 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.868 5.547 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.101 5.294 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.470 4.609 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.067 6.894 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.461 6.087 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.257 7.854 -1.179 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.122 5.401 -2.207 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.444 5.611 -1.645 1.00 0.00 C ATOM 1236 C PHE A 81 -5.327 5.793 -0.135 1.00 0.00 C ATOM 1237 O PHE A 81 -5.075 4.825 0.582 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.350 4.416 -1.956 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.755 4.308 -3.411 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.906 3.671 -4.332 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.022 4.761 -3.825 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.341 3.445 -5.648 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.461 4.523 -5.137 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.609 3.892 -6.058 1.00 0.00 C ATOM 0 H PHE A 81 -3.877 4.414 -2.283 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.883 6.505 -2.088 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.837 3.500 -1.664 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.249 4.487 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.919 3.355 -4.028 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.657 5.293 -3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.700 2.927 -6.346 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.453 4.825 -5.438 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.928 3.750 -7.080 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.491 7.505 -0.636 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.359 8.621 -1.566 1.00 0.00 C ATOM 1299 C GLU A 85 -7.953 8.652 -2.169 1.00 0.00 C ATOM 1300 O GLU A 85 -6.967 8.618 -1.435 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.640 9.934 -0.822 1.00 0.00 C ATOM 1302 CG GLU A 85 -11.055 9.965 -0.232 1.00 0.00 C ATOM 1303 CD GLU A 85 -11.323 11.288 0.476 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -11.749 12.230 -0.226 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -11.091 11.336 1.704 1.00 0.00 O ATOM 0 HA GLU A 85 -10.077 8.498 -2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.910 10.062 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.513 10.773 -1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.787 9.819 -1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.178 9.141 0.471 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.849 8.736 -3.499 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.566 8.827 -4.184 1.00 0.00 C ATOM 1314 C VAL A 86 -5.863 10.123 -3.761 1.00 0.00 C ATOM 1315 O VAL A 86 -6.264 11.208 -4.177 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.771 8.776 -5.711 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.431 8.887 -6.446 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.431 7.460 -6.135 1.00 0.00 C ATOM 0 H VAL A 86 -8.654 8.742 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.938 7.980 -3.907 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.414 9.616 -5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.602 8.849 -7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.952 9.831 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.785 8.060 -6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.563 7.451 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.797 6.624 -5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.403 7.367 -5.650 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.816 10.012 -2.942 1.00 0.00 N ATOM 1329 CA ALA A 87 -4.040 11.147 -2.469 1.00 0.00 C ATOM 1330 C ALA A 87 -3.054 11.592 -3.546 1.00 0.00 C ATOM 1331 O ALA A 87 -2.909 12.787 -3.797 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.307 10.766 -1.182 1.00 0.00 C ATOM 0 H ALA A 87 -4.483 9.116 -2.587 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.708 11.981 -2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.726 11.618 -0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.033 10.481 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.639 9.927 -1.378 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.378 10.634 -4.186 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.411 10.911 -5.234 1.00 0.00 C ATOM 1340 C ALA A 88 -1.277 9.695 -6.147 1.00 0.00 C ATOM 1341 O ALA A 88 -1.580 8.573 -5.737 1.00 0.00 O ATOM 1342 CB ALA A 88 -0.060 11.281 -4.616 1.00 0.00 C ATOM 0 H ALA A 88 -2.492 9.641 -3.985 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.756 11.755 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.659 11.487 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.176 12.167 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.300 10.453 -4.006 1.00 0.00 H new ATOM 1348 N THR A 89 -0.836 9.938 -7.385 1.00 0.00 N ATOM 1349 CA THR A 89 -0.671 8.932 -8.420 1.00 0.00 C ATOM 1350 C THR A 89 0.730 9.047 -9.019 1.00 0.00 C ATOM 1351 O THR A 89 0.996 10.026 -9.717 1.00 0.00 O ATOM 1352 CB THR A 89 -1.746 9.151 -9.498 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.611 10.418 -10.114 1.00 0.00 O ATOM 1354 CG2 THR A 89 -3.143 9.119 -8.876 1.00 0.00 C ATOM 0 H THR A 89 -0.577 10.874 -7.697 1.00 0.00 H new ATOM 0 HA THR A 89 -0.786 7.932 -8.002 1.00 0.00 H new ATOM 0 HB THR A 89 -1.616 8.354 -10.230 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.661 10.647 -10.187 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.891 9.276 -9.653 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.309 8.151 -8.403 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.226 9.907 -8.128 1.00 0.00 H new ATOM 1362 N LYS A 90 1.620 8.076 -8.786 1.00 0.00 N ATOM 1363 CA LYS A 90 2.957 8.124 -9.366 1.00 0.00 C ATOM 1364 C LYS A 90 2.964 7.244 -10.609 1.00 0.00 C ATOM 1365 O LYS A 90 2.886 6.023 -10.495 1.00 0.00 O ATOM 1366 CB LYS A 90 4.022 7.719 -8.333 1.00 0.00 C ATOM 1367 CG LYS A 90 5.427 8.211 -8.724 1.00 0.00 C ATOM 1368 CD LYS A 90 6.128 7.307 -9.752 1.00 0.00 C ATOM 1369 CE LYS A 90 7.370 7.977 -10.351 1.00 0.00 C ATOM 1370 NZ LYS A 90 7.011 9.060 -11.283 1.00 0.00 N ATOM 0 H LYS A 90 1.437 7.258 -8.205 1.00 0.00 H new ATOM 0 HA LYS A 90 3.213 9.142 -9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.754 8.127 -7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.034 6.634 -8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.350 9.219 -9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.044 8.275 -7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.416 6.370 -9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.430 7.057 -10.551 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.989 8.378 -9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.969 7.231 -10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.871 9.421 -11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.358 8.694 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.550 9.831 -10.759 1.00 0.00 H new ATOM 1384 N VAL A 91 3.066 7.858 -11.789 1.00 0.00 N ATOM 1385 CA VAL A 91 3.136 7.158 -13.064 1.00 0.00 C ATOM 1386 C VAL A 91 4.614 6.919 -13.386 1.00 0.00 C ATOM 1387 O VAL A 91 5.409 7.856 -13.325 1.00 0.00 O ATOM 1388 CB VAL A 91 2.452 8.002 -14.158 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.509 7.293 -15.519 1.00 0.00 C ATOM 1390 CG2 VAL A 91 0.981 8.274 -13.813 1.00 0.00 C ATOM 0 H VAL A 91 3.103 8.873 -11.882 1.00 0.00 H new ATOM 0 HA VAL A 91 2.617 6.201 -13.015 1.00 0.00 H new ATOM 0 HB VAL A 91 2.994 8.946 -14.213 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.019 7.911 -16.272 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.549 7.132 -15.802 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.999 6.332 -15.450 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.526 8.871 -14.603 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.448 7.328 -13.721 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.923 8.816 -12.869 1.00 0.00 H new ATOM 1400 N GLY A 92 4.982 5.682 -13.723 1.00 0.00 N ATOM 1401 CA GLY A 92 6.343 5.299 -14.068 1.00 0.00 C ATOM 1402 C GLY A 92 7.104 4.732 -12.870 1.00 0.00 C ATOM 1403 O GLY A 92 6.700 4.894 -11.719 1.00 0.00 O ATOM 0 H GLY A 92 4.323 4.904 -13.763 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.319 4.556 -14.865 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.875 6.167 -14.457 1.00 0.00 H new ATOM 1407 N ALA A 93 8.221 4.055 -13.152 1.00 0.00 N ATOM 1408 CA ALA A 93 9.082 3.475 -12.128 1.00 0.00 C ATOM 1409 C ALA A 93 9.855 4.582 -11.399 1.00 0.00 C ATOM 1410 O ALA A 93 9.884 5.726 -11.848 1.00 0.00 O ATOM 1411 CB ALA A 93 10.033 2.463 -12.774 1.00 0.00 C ATOM 0 H ALA A 93 8.551 3.895 -14.104 1.00 0.00 H new ATOM 0 HA ALA A 93 8.474 2.953 -11.389 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.677 2.029 -12.009 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.454 1.673 -13.252 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.646 2.966 -13.522 1.00 0.00 H new ATOM 1417 N LEU A 94 10.490 4.239 -10.276 1.00 0.00 N ATOM 1418 CA LEU A 94 11.252 5.162 -9.450 1.00 0.00 C ATOM 1419 C LEU A 94 12.185 4.369 -8.538 1.00 0.00 C ATOM 1420 O LEU A 94 12.064 3.148 -8.446 1.00 0.00 O ATOM 1421 CB LEU A 94 10.315 6.082 -8.652 1.00 0.00 C ATOM 1422 CG LEU A 94 9.523 5.417 -7.510 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.646 6.487 -6.853 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.628 4.254 -7.958 1.00 0.00 C ATOM 0 H LEU A 94 10.485 3.286 -9.912 1.00 0.00 H new ATOM 0 HA LEU A 94 11.858 5.806 -10.087 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.908 6.894 -8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.605 6.533 -9.345 1.00 0.00 H new ATOM 0 HG LEU A 94 10.254 4.993 -6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.074 6.040 -6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.277 7.283 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.961 6.901 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.106 3.843 -7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.899 4.614 -8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.242 3.478 -8.415 1.00 0.00 H new ATOM 1436 N SER A 95 13.109 5.061 -7.867 1.00 0.00 N ATOM 1437 CA SER A 95 14.052 4.436 -6.956 1.00 0.00 C ATOM 1438 C SER A 95 13.368 4.112 -5.629 1.00 0.00 C ATOM 1439 O SER A 95 12.356 4.720 -5.280 1.00 0.00 O ATOM 1440 CB SER A 95 15.230 5.392 -6.728 1.00 0.00 C ATOM 1441 OG SER A 95 14.787 6.591 -6.111 1.00 0.00 O ATOM 0 H SER A 95 13.219 6.072 -7.945 1.00 0.00 H new ATOM 0 HA SER A 95 14.417 3.504 -7.388 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.981 4.910 -6.102 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.709 5.622 -7.680 1.00 0.00 H new ATOM 0 HG SER A 95 15.551 7.189 -5.971 1.00 0.00 H new ATOM 1447 N LYS A 96 13.956 3.192 -4.856 1.00 0.00 N ATOM 1448 CA LYS A 96 13.461 2.876 -3.524 1.00 0.00 C ATOM 1449 C LYS A 96 13.397 4.172 -2.710 1.00 0.00 C ATOM 1450 O LYS A 96 12.399 4.442 -2.052 1.00 0.00 O ATOM 1451 CB LYS A 96 14.368 1.823 -2.869 1.00 0.00 C ATOM 1452 CG LYS A 96 13.901 1.470 -1.449 1.00 0.00 C ATOM 1453 CD LYS A 96 14.826 0.420 -0.820 1.00 0.00 C ATOM 1454 CE LYS A 96 14.409 0.152 0.630 1.00 0.00 C ATOM 1455 NZ LYS A 96 15.286 -0.842 1.269 1.00 0.00 N ATOM 0 H LYS A 96 14.777 2.656 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 96 12.459 2.450 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.380 0.922 -3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.391 2.197 -2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.888 2.368 -0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.880 1.090 -1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.784 -0.505 -1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.858 0.768 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.439 1.083 1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.378 -0.202 0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.825 -1.213 2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.466 -1.623 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.187 -0.393 1.529 1.00 0.00 H new ATOM 1469 N GLY A 97 14.455 4.986 -2.777 1.00 0.00 N ATOM 1470 CA GLY A 97 14.518 6.261 -2.082 1.00 0.00 C ATOM 1471 C GLY A 97 13.340 7.163 -2.460 1.00 0.00 C ATOM 1472 O GLY A 97 12.613 7.628 -1.580 1.00 0.00 O ATOM 0 H GLY A 97 15.292 4.772 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.517 6.091 -1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.455 6.763 -2.324 1.00 0.00 H new ATOM 1476 N GLN A 98 13.128 7.406 -3.760 1.00 0.00 N ATOM 1477 CA GLN A 98 12.015 8.248 -4.181 1.00 0.00 C ATOM 1478 C GLN A 98 10.679 7.651 -3.749 1.00 0.00 C ATOM 1479 O GLN A 98 9.787 8.388 -3.326 1.00 0.00 O ATOM 1480 CB GLN A 98 12.053 8.526 -5.693 1.00 0.00 C ATOM 1481 CG GLN A 98 13.062 9.629 -6.055 1.00 0.00 C ATOM 1482 CD GLN A 98 12.819 10.931 -5.287 1.00 0.00 C ATOM 1483 OE1 GLN A 98 13.755 11.533 -4.774 1.00 0.00 O ATOM 1484 NE2 GLN A 98 11.564 11.355 -5.174 1.00 0.00 N ATOM 0 H GLN A 98 13.702 7.038 -4.519 1.00 0.00 H new ATOM 0 HA GLN A 98 12.122 9.210 -3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.313 7.610 -6.223 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.059 8.819 -6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.071 9.274 -5.848 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.007 9.828 -7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 98 10.807 10.831 -5.613 1.00 0.00 H new ATOM 0 HE22 GLN A 98 11.358 12.204 -4.648 1.00 0.00 H new ATOM 1493 N LEU A 99 10.531 6.328 -3.832 1.00 0.00 N ATOM 1494 CA LEU A 99 9.313 5.676 -3.390 1.00 0.00 C ATOM 1495 C LEU A 99 9.098 5.965 -1.903 1.00 0.00 C ATOM 1496 O LEU A 99 8.041 6.457 -1.525 1.00 0.00 O ATOM 1497 CB LEU A 99 9.363 4.180 -3.728 1.00 0.00 C ATOM 1498 CG LEU A 99 8.112 3.395 -3.311 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.808 3.993 -3.857 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.244 1.963 -3.832 1.00 0.00 C ATOM 0 H LEU A 99 11.241 5.695 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 99 8.447 6.074 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.507 4.067 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.233 3.739 -3.242 1.00 0.00 H new ATOM 0 HG LEU A 99 8.054 3.434 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.964 3.389 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.693 5.012 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.840 4.003 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.363 1.389 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.330 1.978 -4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.134 1.501 -3.404 1.00 0.00 H new ATOM 1512 N LYS A 100 10.100 5.711 -1.058 1.00 0.00 N ATOM 1513 CA LYS A 100 10.008 5.985 0.369 1.00 0.00 C ATOM 1514 C LYS A 100 9.644 7.446 0.631 1.00 0.00 C ATOM 1515 O LYS A 100 8.766 7.718 1.449 1.00 0.00 O ATOM 1516 CB LYS A 100 11.298 5.582 1.089 1.00 0.00 C ATOM 1517 CG LYS A 100 11.422 4.055 1.096 1.00 0.00 C ATOM 1518 CD LYS A 100 12.647 3.539 1.855 1.00 0.00 C ATOM 1519 CE LYS A 100 12.569 3.850 3.355 1.00 0.00 C ATOM 1520 NZ LYS A 100 13.547 3.052 4.114 1.00 0.00 N ATOM 0 H LYS A 100 10.993 5.311 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 100 9.202 5.376 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.160 6.025 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.291 5.962 2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.523 3.629 1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.467 3.699 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.734 2.462 1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.548 3.990 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.755 4.911 3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.563 3.642 3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.473 3.282 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.353 2.040 3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.507 3.270 3.779 1.00 0.00 H new ATOM 1534 N GLU A 101 10.298 8.380 -0.068 1.00 0.00 N ATOM 1535 CA GLU A 101 10.020 9.804 0.045 1.00 0.00 C ATOM 1536 C GLU A 101 8.541 10.072 -0.256 1.00 0.00 C ATOM 1537 O GLU A 101 7.830 10.643 0.570 1.00 0.00 O ATOM 1538 CB GLU A 101 10.983 10.556 -0.889 1.00 0.00 C ATOM 1539 CG GLU A 101 10.825 12.081 -0.849 1.00 0.00 C ATOM 1540 CD GLU A 101 9.890 12.602 -1.939 1.00 0.00 C ATOM 1541 OE1 GLU A 101 10.384 12.765 -3.077 1.00 0.00 O ATOM 1542 OE2 GLU A 101 8.702 12.823 -1.619 1.00 0.00 O ATOM 0 H GLU A 101 11.040 8.160 -0.732 1.00 0.00 H new ATOM 0 HA GLU A 101 10.190 10.166 1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.008 10.300 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.826 10.211 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.441 12.378 0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.804 12.547 -0.961 1.00 0.00 H new ATOM 1549 N PHE A 102 8.076 9.632 -1.428 1.00 0.00 N ATOM 1550 CA PHE A 102 6.692 9.780 -1.865 1.00 0.00 C ATOM 1551 C PHE A 102 5.728 9.222 -0.812 1.00 0.00 C ATOM 1552 O PHE A 102 4.788 9.899 -0.389 1.00 0.00 O ATOM 1553 CB PHE A 102 6.526 9.073 -3.219 1.00 0.00 C ATOM 1554 CG PHE A 102 5.099 8.962 -3.724 1.00 0.00 C ATOM 1555 CD1 PHE A 102 4.532 10.003 -4.481 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.363 7.783 -3.496 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.249 9.851 -5.038 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.073 7.641 -4.036 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.518 8.670 -4.816 1.00 0.00 C ATOM 0 H PHE A 102 8.665 9.154 -2.110 1.00 0.00 H new ATOM 0 HA PHE A 102 6.450 10.836 -1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.117 9.607 -3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 102 6.945 8.070 -3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.082 10.920 -4.635 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.791 6.986 -2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.824 10.643 -5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.507 6.740 -3.851 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.533 8.554 -5.244 1.00 0.00 H new ATOM 1569 N LEU A 103 5.963 7.981 -0.385 1.00 0.00 N ATOM 1570 CA LEU A 103 5.134 7.320 0.608 1.00 0.00 C ATOM 1571 C LEU A 103 5.096 8.138 1.891 1.00 0.00 C ATOM 1572 O LEU A 103 4.016 8.443 2.384 1.00 0.00 O ATOM 1573 CB LEU A 103 5.648 5.901 0.877 1.00 0.00 C ATOM 1574 CG LEU A 103 5.478 4.975 -0.335 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.192 3.653 -0.058 1.00 0.00 C ATOM 1576 CD2 LEU A 103 4.006 4.755 -0.692 1.00 0.00 C ATOM 0 H LEU A 103 6.737 7.409 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 103 4.118 7.243 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.702 5.946 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.115 5.480 1.729 1.00 0.00 H new ATOM 0 HG LEU A 103 5.930 5.453 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.075 2.990 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.252 3.841 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.759 3.184 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.936 4.093 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.490 4.302 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.542 5.712 -0.930 1.00 0.00 H new ATOM 1588 N ASP A 104 6.261 8.514 2.425 1.00 0.00 N ATOM 1589 CA ASP A 104 6.351 9.316 3.636 1.00 0.00 C ATOM 1590 C ASP A 104 5.531 10.598 3.483 1.00 0.00 C ATOM 1591 O ASP A 104 4.694 10.901 4.329 1.00 0.00 O ATOM 1592 CB ASP A 104 7.816 9.628 3.952 1.00 0.00 C ATOM 1593 CG ASP A 104 7.925 10.476 5.214 1.00 0.00 C ATOM 1594 OD1 ASP A 104 7.855 9.874 6.308 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.067 11.708 5.062 1.00 0.00 O ATOM 0 H ASP A 104 7.166 8.268 2.025 1.00 0.00 H new ATOM 0 HA ASP A 104 5.938 8.751 4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.371 8.699 4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.270 10.155 3.113 1.00 0.00 H new ATOM 1600 N ALA A 105 5.763 11.336 2.394 1.00 0.00 N ATOM 1601 CA ALA A 105 5.060 12.576 2.099 1.00 0.00 C ATOM 1602 C ALA A 105 3.541 12.382 2.092 1.00 0.00 C ATOM 1603 O ALA A 105 2.808 13.233 2.593 1.00 0.00 O ATOM 1604 CB ALA A 105 5.553 13.140 0.763 1.00 0.00 C ATOM 0 H ALA A 105 6.453 11.082 1.688 1.00 0.00 H new ATOM 0 HA ALA A 105 5.280 13.293 2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.026 14.068 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.623 13.336 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.361 12.417 -0.030 1.00 0.00 H new ATOM 1610 N ASN A 106 3.060 11.267 1.534 1.00 0.00 N ATOM 1611 CA ASN A 106 1.625 11.007 1.442 1.00 0.00 C ATOM 1612 C ASN A 106 1.065 10.530 2.781 1.00 0.00 C ATOM 1613 O ASN A 106 -0.031 10.934 3.166 1.00 0.00 O ATOM 1614 CB ASN A 106 1.346 9.948 0.372 1.00 0.00 C ATOM 1615 CG ASN A 106 1.279 10.532 -1.033 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.198 10.850 -1.517 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.417 10.660 -1.704 1.00 0.00 N ATOM 0 H ASN A 106 3.646 10.531 1.140 1.00 0.00 H new ATOM 0 HA ASN A 106 1.135 11.942 1.170 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.126 9.188 0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.404 9.449 0.598 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.410 11.033 -2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.298 10.385 -1.270 1.00 0.00 H new ATOM 1624 N LEU A 107 1.794 9.675 3.501 1.00 0.00 N ATOM 1625 CA LEU A 107 1.374 9.189 4.809 1.00 0.00 C ATOM 1626 C LEU A 107 1.267 10.381 5.761 1.00 0.00 C ATOM 1627 O LEU A 107 0.265 10.539 6.454 1.00 0.00 O ATOM 1628 CB LEU A 107 2.357 8.130 5.334 1.00 0.00 C ATOM 1629 CG LEU A 107 2.269 6.799 4.567 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.540 5.978 4.806 1.00 0.00 C ATOM 1631 CD2 LEU A 107 1.053 5.971 5.004 1.00 0.00 C ATOM 0 H LEU A 107 2.691 9.302 3.190 1.00 0.00 H new ATOM 0 HA LEU A 107 0.399 8.707 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.373 8.518 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.158 7.949 6.390 1.00 0.00 H new ATOM 0 HG LEU A 107 2.162 7.036 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.473 5.037 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.407 6.539 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.646 5.774 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.026 5.039 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.128 5.749 6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.141 6.537 4.815 1.00 0.00 H new ATOM 1643 N ALA A 108 2.291 11.238 5.772 1.00 0.00 N ATOM 1644 CA ALA A 108 2.311 12.443 6.585 1.00 0.00 C ATOM 1645 C ALA A 108 1.161 13.362 6.174 1.00 0.00 C ATOM 1646 O ALA A 108 0.879 14.346 6.857 1.00 0.00 O ATOM 1647 CB ALA A 108 3.663 13.144 6.425 1.00 0.00 C ATOM 0 H ALA A 108 3.133 11.109 5.211 1.00 0.00 H new ATOM 0 HA ALA A 108 2.180 12.184 7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.679 14.048 7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.460 12.475 6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.814 13.409 5.379 1.00 0.00 H new