USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 744 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 40 THR OG1 : rot 97:sc= 1.73 USER MOD Set 1.2: A 67 THR OG1 : rot -87:sc= 0.631 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -26:sc= 0.834 USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 1.3 (180deg=1.13) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 140:sc= 0.522 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 1.01 K(o=1,f=-0.31) USER MOD Single : A 41 CYS SG : rot 180:sc=-0.00352 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -9:sc= 0.679 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.186 (180deg=-0.606) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 141:sc= 0.696 (180deg=-0.779!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.202 K(o=-0.2,f=-2.8!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0969 K(o=-0.097,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 33 N VAL A 3 -4.430 8.939 -3.103 1.00 0.00 N ATOM 34 CA VAL A 3 -3.836 7.633 -3.385 1.00 0.00 C ATOM 35 C VAL A 3 -2.699 7.768 -4.409 1.00 0.00 C ATOM 36 O VAL A 3 -2.887 7.543 -5.608 1.00 0.00 O ATOM 37 CB VAL A 3 -4.971 6.664 -3.789 1.00 0.00 C ATOM 38 CG1 VAL A 3 -4.461 5.248 -4.073 1.00 0.00 C ATOM 39 CG2 VAL A 3 -6.041 6.545 -2.699 1.00 0.00 C ATOM 0 HA VAL A 3 -3.356 7.208 -2.503 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.395 7.096 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.299 4.609 -4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.740 5.278 -4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.981 4.848 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.818 5.854 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.586 6.171 -1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.481 7.525 -2.513 1.00 0.00 H new ATOM 49 N LYS A 4 -1.510 8.188 -3.960 1.00 0.00 N ATOM 50 CA LYS A 4 -0.356 8.236 -4.856 1.00 0.00 C ATOM 51 C LYS A 4 0.097 6.793 -5.041 1.00 0.00 C ATOM 52 O LYS A 4 0.410 6.148 -4.045 1.00 0.00 O ATOM 53 CB LYS A 4 0.760 9.127 -4.269 1.00 0.00 C ATOM 54 CG LYS A 4 1.606 9.856 -5.328 1.00 0.00 C ATOM 55 CD LYS A 4 0.768 10.760 -6.249 1.00 0.00 C ATOM 56 CE LYS A 4 1.583 11.864 -6.930 1.00 0.00 C ATOM 57 NZ LYS A 4 1.856 13.003 -6.028 1.00 0.00 N ATOM 0 H LYS A 4 -1.327 8.492 -3.004 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.611 8.681 -5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.309 9.867 -3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.417 8.510 -3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.364 10.459 -4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.134 9.119 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.294 10.145 -7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.032 11.217 -5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.527 11.449 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.044 12.221 -7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.410 13.723 -6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.957 13.418 -5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.394 12.671 -5.202 1.00 0.00 H new ATOM 71 N ILE A 5 0.077 6.279 -6.268 1.00 0.00 N ATOM 72 CA ILE A 5 0.583 4.957 -6.634 1.00 0.00 C ATOM 73 C ILE A 5 1.474 5.173 -7.846 1.00 0.00 C ATOM 74 O ILE A 5 1.025 5.795 -8.817 1.00 0.00 O ATOM 75 CB ILE A 5 -0.558 3.969 -6.977 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.462 3.695 -5.762 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.025 2.632 -7.481 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.790 3.034 -6.126 1.00 0.00 C ATOM 0 H ILE A 5 -0.306 6.789 -7.064 1.00 0.00 H new ATOM 0 HA ILE A 5 1.123 4.513 -5.798 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.160 4.433 -7.758 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.928 3.056 -5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.662 4.636 -5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.789 1.947 -7.718 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.622 2.810 -8.375 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.654 2.194 -6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.375 2.871 -5.221 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.345 3.682 -6.805 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.599 2.077 -6.612 1.00 0.00 H new ATOM 90 N GLU A 6 2.692 4.646 -7.815 1.00 0.00 N ATOM 91 CA GLU A 6 3.575 4.629 -8.967 1.00 0.00 C ATOM 92 C GLU A 6 4.584 3.494 -8.853 1.00 0.00 C ATOM 93 O GLU A 6 4.635 2.793 -7.842 1.00 0.00 O ATOM 94 CB GLU A 6 4.236 5.991 -9.175 1.00 0.00 C ATOM 95 CG GLU A 6 4.834 6.604 -7.911 1.00 0.00 C ATOM 96 CD GLU A 6 5.540 7.931 -8.209 1.00 0.00 C ATOM 97 OE1 GLU A 6 5.041 8.712 -9.052 1.00 0.00 O ATOM 98 OE2 GLU A 6 6.624 8.197 -7.637 1.00 0.00 O ATOM 0 H GLU A 6 3.094 4.216 -6.982 1.00 0.00 H new ATOM 0 HA GLU A 6 2.981 4.437 -9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.024 5.888 -9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.497 6.681 -9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.045 6.767 -7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.543 5.905 -7.467 1.00 0.00 H new ATOM 105 N LYS A 7 5.391 3.324 -9.902 1.00 0.00 N ATOM 106 CA LYS A 7 6.382 2.270 -10.009 1.00 0.00 C ATOM 107 C LYS A 7 7.778 2.904 -9.937 1.00 0.00 C ATOM 108 O LYS A 7 8.323 3.272 -10.978 1.00 0.00 O ATOM 109 CB LYS A 7 6.195 1.464 -11.298 1.00 0.00 C ATOM 110 CG LYS A 7 4.891 0.681 -11.464 1.00 0.00 C ATOM 111 CD LYS A 7 3.654 1.546 -11.757 1.00 0.00 C ATOM 112 CE LYS A 7 2.871 1.023 -12.967 1.00 0.00 C ATOM 113 NZ LYS A 7 3.328 1.629 -14.232 1.00 0.00 N ATOM 0 H LYS A 7 5.367 3.936 -10.718 1.00 0.00 H new ATOM 0 HA LYS A 7 6.263 1.568 -9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.283 2.152 -12.139 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.022 0.758 -11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.015 -0.037 -12.274 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.709 0.108 -10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.004 1.561 -10.882 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.964 2.575 -11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.978 -0.060 -13.026 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.810 1.232 -12.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.771 1.246 -15.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.202 2.660 -14.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.334 1.409 -14.379 1.00 0.00 H new ATOM 127 N PRO A 8 8.329 3.136 -8.736 1.00 0.00 N ATOM 128 CA PRO A 8 9.600 3.827 -8.567 1.00 0.00 C ATOM 129 C PRO A 8 10.778 2.992 -9.063 1.00 0.00 C ATOM 130 O PRO A 8 10.681 1.765 -9.207 1.00 0.00 O ATOM 131 CB PRO A 8 9.726 4.081 -7.063 1.00 0.00 C ATOM 132 CG PRO A 8 8.847 3.011 -6.433 1.00 0.00 C ATOM 133 CD PRO A 8 7.738 2.818 -7.453 1.00 0.00 C ATOM 0 HA PRO A 8 9.620 4.748 -9.150 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.760 3.995 -6.729 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.387 5.083 -6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.400 2.087 -6.261 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.454 3.331 -5.468 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.364 1.794 -7.437 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.891 3.470 -7.239 1.00 0.00 H new ATOM 141 N THR A 9 11.924 3.656 -9.231 1.00 0.00 N ATOM 142 CA THR A 9 13.198 2.971 -9.368 1.00 0.00 C ATOM 143 C THR A 9 13.470 2.162 -8.089 1.00 0.00 C ATOM 144 O THR A 9 13.205 2.657 -6.984 1.00 0.00 O ATOM 145 CB THR A 9 14.326 3.965 -9.687 1.00 0.00 C ATOM 146 OG1 THR A 9 15.582 3.326 -9.660 1.00 0.00 O ATOM 147 CG2 THR A 9 14.396 5.132 -8.707 1.00 0.00 C ATOM 0 H THR A 9 11.989 4.673 -9.275 1.00 0.00 H new ATOM 0 HA THR A 9 13.158 2.278 -10.209 1.00 0.00 H new ATOM 0 HB THR A 9 14.094 4.348 -10.681 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.285 3.977 -9.867 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.213 5.796 -8.989 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.456 5.684 -8.730 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.569 4.752 -7.700 1.00 0.00 H new ATOM 155 N PRO A 10 14.091 0.976 -8.204 1.00 0.00 N ATOM 156 CA PRO A 10 14.469 0.188 -7.042 1.00 0.00 C ATOM 157 C PRO A 10 15.642 0.807 -6.283 1.00 0.00 C ATOM 158 O PRO A 10 15.830 0.461 -5.115 1.00 0.00 O ATOM 159 CB PRO A 10 14.820 -1.191 -7.601 1.00 0.00 C ATOM 160 CG PRO A 10 15.295 -0.905 -9.024 1.00 0.00 C ATOM 161 CD PRO A 10 14.408 0.265 -9.437 1.00 0.00 C ATOM 0 HA PRO A 10 13.662 0.139 -6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.598 -1.674 -7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.956 -1.856 -7.595 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.353 -0.643 -9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.161 -1.767 -9.678 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.923 0.916 -10.143 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.502 -0.086 -9.930 1.00 0.00 H new ATOM 169 N GLU A 11 16.408 1.714 -6.903 1.00 0.00 N ATOM 170 CA GLU A 11 17.575 2.330 -6.284 1.00 0.00 C ATOM 171 C GLU A 11 17.152 3.167 -5.083 1.00 0.00 C ATOM 172 O GLU A 11 17.646 2.947 -3.980 1.00 0.00 O ATOM 173 CB GLU A 11 18.338 3.199 -7.292 1.00 0.00 C ATOM 174 CG GLU A 11 19.050 2.345 -8.337 1.00 0.00 C ATOM 175 CD GLU A 11 19.871 3.207 -9.288 1.00 0.00 C ATOM 176 OE1 GLU A 11 19.323 3.676 -10.307 1.00 0.00 O ATOM 177 OE2 GLU A 11 21.096 3.374 -9.092 1.00 0.00 O ATOM 0 H GLU A 11 16.229 2.039 -7.853 1.00 0.00 H new ATOM 0 HA GLU A 11 18.241 1.535 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.644 3.879 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.067 3.815 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.701 1.626 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.316 1.772 -8.904 1.00 0.00 H new ATOM 184 N LYS A 12 16.194 4.078 -5.276 1.00 0.00 N ATOM 185 CA LYS A 12 15.714 4.968 -4.224 1.00 0.00 C ATOM 186 C LYS A 12 15.097 4.171 -3.085 1.00 0.00 C ATOM 187 O LYS A 12 15.230 4.550 -1.927 1.00 0.00 O ATOM 188 CB LYS A 12 14.729 5.971 -4.838 1.00 0.00 C ATOM 189 CG LYS A 12 14.264 7.079 -3.877 1.00 0.00 C ATOM 190 CD LYS A 12 14.079 8.402 -4.636 1.00 0.00 C ATOM 191 CE LYS A 12 13.240 9.405 -3.841 1.00 0.00 C ATOM 192 NZ LYS A 12 13.336 10.761 -4.415 1.00 0.00 N ATOM 0 H LYS A 12 15.729 4.217 -6.173 1.00 0.00 H new ATOM 0 HA LYS A 12 16.546 5.524 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.196 6.434 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.854 5.429 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.326 6.789 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.996 7.209 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.055 8.836 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.598 8.206 -5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.198 9.085 -3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.576 9.422 -2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.756 11.417 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.327 11.075 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.992 10.748 -5.396 1.00 0.00 H new ATOM 206 N LEU A 13 14.461 3.034 -3.376 1.00 0.00 N ATOM 207 CA LEU A 13 13.927 2.155 -2.340 1.00 0.00 C ATOM 208 C LEU A 13 15.028 1.567 -1.447 1.00 0.00 C ATOM 209 O LEU A 13 14.762 1.193 -0.300 1.00 0.00 O ATOM 210 CB LEU A 13 13.130 1.011 -2.971 1.00 0.00 C ATOM 211 CG LEU A 13 11.835 1.410 -3.710 1.00 0.00 C ATOM 212 CD1 LEU A 13 11.176 0.144 -4.257 1.00 0.00 C ATOM 213 CD2 LEU A 13 10.815 2.139 -2.825 1.00 0.00 C ATOM 0 H LEU A 13 14.304 2.701 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 13 13.276 2.767 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.779 0.488 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.872 0.300 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 13 12.126 2.103 -4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.259 0.409 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.859 -0.353 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.940 -0.529 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.933 2.386 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.527 1.494 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.260 3.055 -2.436 1.00 0.00 H new ATOM 225 N LYS A 14 16.272 1.470 -1.924 1.00 0.00 N ATOM 226 CA LYS A 14 17.389 1.137 -1.045 1.00 0.00 C ATOM 227 C LYS A 14 17.605 2.295 -0.082 1.00 0.00 C ATOM 228 O LYS A 14 17.670 2.090 1.127 1.00 0.00 O ATOM 229 CB LYS A 14 18.674 0.851 -1.829 1.00 0.00 C ATOM 230 CG LYS A 14 18.500 -0.184 -2.945 1.00 0.00 C ATOM 231 CD LYS A 14 17.888 -1.516 -2.495 1.00 0.00 C ATOM 232 CE LYS A 14 18.729 -2.182 -1.401 1.00 0.00 C ATOM 233 NZ LYS A 14 18.233 -3.529 -1.068 1.00 0.00 N ATOM 0 H LYS A 14 16.526 1.616 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 14 17.144 0.226 -0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 14 19.038 1.782 -2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.440 0.501 -1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 14 17.870 0.245 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.473 -0.381 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.877 -1.346 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 14 17.806 -2.187 -3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 14 19.766 -2.248 -1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 14 18.718 -1.560 -0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.829 -3.944 -0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.252 -3.464 -0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.267 -4.131 -1.915 1.00 0.00 H new ATOM 247 N GLU A 15 17.669 3.506 -0.625 1.00 0.00 N ATOM 248 CA GLU A 15 18.091 4.708 0.097 1.00 0.00 C ATOM 249 C GLU A 15 17.084 5.075 1.179 1.00 0.00 C ATOM 250 O GLU A 15 17.445 5.464 2.288 1.00 0.00 O ATOM 251 CB GLU A 15 18.296 5.880 -0.872 1.00 0.00 C ATOM 252 CG GLU A 15 19.348 5.518 -1.923 1.00 0.00 C ATOM 253 CD GLU A 15 19.949 6.744 -2.595 1.00 0.00 C ATOM 254 OE1 GLU A 15 19.180 7.531 -3.205 1.00 0.00 O ATOM 255 OE2 GLU A 15 21.192 6.903 -2.532 1.00 0.00 O ATOM 0 H GLU A 15 17.425 3.686 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 15 19.044 4.493 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.353 6.127 -1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.611 6.766 -0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 15 20.143 4.940 -1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.895 4.879 -2.680 1.00 0.00 H new ATOM 262 N LEU A 16 15.806 4.855 0.885 1.00 0.00 N ATOM 263 CA LEU A 16 14.685 4.972 1.807 1.00 0.00 C ATOM 264 C LEU A 16 14.809 4.044 3.017 1.00 0.00 C ATOM 265 O LEU A 16 14.068 4.243 3.973 1.00 0.00 O ATOM 266 CB LEU A 16 13.395 4.653 1.033 1.00 0.00 C ATOM 267 CG LEU A 16 12.668 5.848 0.390 1.00 0.00 C ATOM 268 CD1 LEU A 16 13.555 7.019 -0.027 1.00 0.00 C ATOM 269 CD2 LEU A 16 11.934 5.358 -0.856 1.00 0.00 C ATOM 0 H LEU A 16 15.511 4.576 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 16 14.671 5.989 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.636 3.937 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.702 4.158 1.713 1.00 0.00 H new ATOM 0 HG LEU A 16 12.006 6.230 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.939 7.803 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.073 7.413 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.287 6.678 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.413 6.194 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.652 4.938 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.211 4.592 -0.575 1.00 0.00 H new ATOM 281 N SER A 17 15.735 3.082 2.997 1.00 0.00 N ATOM 282 CA SER A 17 15.976 2.041 3.987 1.00 0.00 C ATOM 283 C SER A 17 14.772 1.115 4.188 1.00 0.00 C ATOM 284 O SER A 17 14.550 0.626 5.291 1.00 0.00 O ATOM 285 CB SER A 17 16.610 2.618 5.267 1.00 0.00 C ATOM 286 OG SER A 17 15.755 3.412 6.069 1.00 0.00 O ATOM 0 H SER A 17 16.390 3.010 2.218 1.00 0.00 H new ATOM 0 HA SER A 17 16.732 1.362 3.592 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.981 1.791 5.872 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.474 3.219 4.984 1.00 0.00 H new ATOM 0 HG SER A 17 15.052 3.803 5.510 1.00 0.00 H new ATOM 292 N VAL A 18 14.012 0.826 3.125 1.00 0.00 N ATOM 293 CA VAL A 18 12.798 0.008 3.182 1.00 0.00 C ATOM 294 C VAL A 18 13.043 -1.379 3.795 1.00 0.00 C ATOM 295 O VAL A 18 12.155 -1.893 4.465 1.00 0.00 O ATOM 296 CB VAL A 18 12.124 -0.065 1.792 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.778 -0.785 1.830 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.872 1.340 1.224 1.00 0.00 C ATOM 0 H VAL A 18 14.228 1.160 2.186 1.00 0.00 H new ATOM 0 HA VAL A 18 12.102 0.502 3.861 1.00 0.00 H new ATOM 0 HB VAL A 18 12.817 -0.622 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.349 -0.808 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.921 -1.805 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.102 -0.257 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.397 1.257 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.219 1.893 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.821 1.867 1.123 1.00 0.00 H new ATOM 308 N GLU A 19 14.233 -1.981 3.659 1.00 0.00 N ATOM 309 CA GLU A 19 14.537 -3.234 4.364 1.00 0.00 C ATOM 310 C GLU A 19 14.452 -3.095 5.893 1.00 0.00 C ATOM 311 O GLU A 19 14.193 -4.078 6.584 1.00 0.00 O ATOM 312 CB GLU A 19 15.929 -3.768 3.986 1.00 0.00 C ATOM 313 CG GLU A 19 17.086 -2.796 4.270 1.00 0.00 C ATOM 314 CD GLU A 19 18.363 -3.438 4.823 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.582 -4.666 4.710 1.00 0.00 O ATOM 316 OE2 GLU A 19 19.209 -2.680 5.344 1.00 0.00 O ATOM 0 H GLU A 19 14.991 -1.627 3.076 1.00 0.00 H new ATOM 0 HA GLU A 19 13.773 -3.942 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.108 -4.695 4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.933 -4.016 2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.333 -2.273 3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.741 -2.044 4.980 1.00 0.00 H new ATOM 323 N LYS A 20 14.658 -1.892 6.430 1.00 0.00 N ATOM 324 CA LYS A 20 14.635 -1.596 7.854 1.00 0.00 C ATOM 325 C LYS A 20 13.244 -1.169 8.300 1.00 0.00 C ATOM 326 O LYS A 20 13.033 -0.984 9.500 1.00 0.00 O ATOM 327 CB LYS A 20 15.642 -0.479 8.188 1.00 0.00 C ATOM 328 CG LYS A 20 17.038 -0.700 7.594 1.00 0.00 C ATOM 329 CD LYS A 20 18.116 -0.002 8.433 1.00 0.00 C ATOM 330 CE LYS A 20 19.465 0.094 7.715 1.00 0.00 C ATOM 331 NZ LYS A 20 20.073 -1.226 7.453 1.00 0.00 N ATOM 0 H LYS A 20 14.852 -1.069 5.859 1.00 0.00 H new ATOM 0 HA LYS A 20 14.912 -2.506 8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.250 0.471 7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.729 -0.394 9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.249 -1.768 7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.066 -0.320 6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.775 1.001 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.247 -0.544 9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.331 0.620 6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 20 20.150 0.690 8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 21.090 -1.110 7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.937 -1.841 8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.620 -1.658 6.623 1.00 0.00 H new ATOM 345 N TRP A 21 12.314 -0.941 7.375 1.00 0.00 N ATOM 346 CA TRP A 21 10.954 -0.562 7.720 1.00 0.00 C ATOM 347 C TRP A 21 10.244 -1.801 8.281 1.00 0.00 C ATOM 348 O TRP A 21 10.699 -2.925 8.039 1.00 0.00 O ATOM 349 CB TRP A 21 10.246 0.001 6.481 1.00 0.00 C ATOM 350 CG TRP A 21 10.766 1.304 5.945 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.943 1.891 6.270 1.00 0.00 C ATOM 352 CD2 TRP A 21 10.157 2.180 4.943 1.00 0.00 C ATOM 353 NE1 TRP A 21 12.114 3.028 5.523 1.00 0.00 N ATOM 354 CE2 TRP A 21 11.050 3.258 4.680 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.949 2.169 4.213 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.773 4.250 3.727 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.660 3.163 3.251 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.583 4.198 2.985 1.00 0.00 C ATOM 0 H TRP A 21 12.485 -1.014 6.372 1.00 0.00 H new ATOM 0 HA TRP A 21 10.941 0.221 8.478 1.00 0.00 H new ATOM 0 HB2 TRP A 21 10.306 -0.743 5.686 1.00 0.00 H new ATOM 0 HB3 TRP A 21 9.190 0.128 6.720 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.641 1.520 7.006 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.933 3.632 5.585 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.230 1.384 4.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.476 5.054 3.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.724 3.131 2.714 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.377 4.936 2.224 1.00 0.00 H new ATOM 369 N PRO A 22 9.129 -1.651 9.008 1.00 0.00 N ATOM 370 CA PRO A 22 8.338 -2.794 9.436 1.00 0.00 C ATOM 371 C PRO A 22 7.724 -3.521 8.233 1.00 0.00 C ATOM 372 O PRO A 22 7.213 -2.894 7.298 1.00 0.00 O ATOM 373 CB PRO A 22 7.286 -2.221 10.385 1.00 0.00 C ATOM 374 CG PRO A 22 7.143 -0.765 9.949 1.00 0.00 C ATOM 375 CD PRO A 22 8.563 -0.411 9.518 1.00 0.00 C ATOM 0 HA PRO A 22 8.938 -3.551 9.940 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.340 -2.757 10.302 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.604 -2.296 11.425 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.431 -0.654 9.131 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.795 -0.129 10.763 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.560 0.364 8.752 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.145 -0.028 10.357 1.00 0.00 H new ATOM 383 N ILE A 23 7.790 -4.853 8.260 1.00 0.00 N ATOM 384 CA ILE A 23 6.973 -5.721 7.424 1.00 0.00 C ATOM 385 C ILE A 23 5.524 -5.643 7.913 1.00 0.00 C ATOM 386 O ILE A 23 5.258 -5.435 9.101 1.00 0.00 O ATOM 387 CB ILE A 23 7.572 -7.157 7.449 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.831 -7.159 6.548 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.605 -8.305 7.084 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.504 -8.526 6.404 1.00 0.00 C ATOM 0 H ILE A 23 8.424 -5.363 8.875 1.00 0.00 H new ATOM 0 HA ILE A 23 6.973 -5.405 6.381 1.00 0.00 H new ATOM 0 HB ILE A 23 7.818 -7.379 8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.554 -6.798 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.555 -6.452 6.954 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.134 -9.257 7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.771 -8.315 7.786 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.227 -8.155 6.073 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.376 -8.436 5.757 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.816 -8.883 7.385 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.800 -9.234 5.967 1.00 0.00 H new ATOM 402 N TRP A 24 4.586 -5.878 6.996 1.00 0.00 N ATOM 403 CA TRP A 24 3.246 -6.338 7.312 1.00 0.00 C ATOM 404 C TRP A 24 2.889 -7.441 6.316 1.00 0.00 C ATOM 405 O TRP A 24 3.329 -7.394 5.162 1.00 0.00 O ATOM 406 CB TRP A 24 2.293 -5.144 7.254 1.00 0.00 C ATOM 407 CG TRP A 24 0.852 -5.378 7.592 1.00 0.00 C ATOM 408 CD1 TRP A 24 0.274 -5.109 8.785 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.237 -5.741 6.694 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.095 -5.256 8.675 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.468 -5.548 7.382 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.308 -6.132 5.344 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.708 -5.623 6.734 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.541 -6.169 4.673 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.736 -5.886 5.355 1.00 0.00 C ATOM 0 H TRP A 24 4.745 -5.750 5.997 1.00 0.00 H new ATOM 0 HA TRP A 24 3.173 -6.755 8.317 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.675 -4.379 7.930 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.337 -4.730 6.247 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.801 -4.824 9.684 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.747 -5.160 9.453 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.595 -6.406 4.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.626 -5.481 7.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.571 -6.417 3.622 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.674 -5.871 4.820 1.00 0.00 H new ATOM 426 N GLU A 25 2.070 -8.396 6.750 1.00 0.00 N ATOM 427 CA GLU A 25 1.522 -9.536 6.016 1.00 0.00 C ATOM 428 C GLU A 25 0.043 -9.686 6.407 1.00 0.00 C ATOM 429 O GLU A 25 -0.342 -9.292 7.515 1.00 0.00 O ATOM 430 CB GLU A 25 2.322 -10.834 6.301 1.00 0.00 C ATOM 431 CG GLU A 25 3.067 -10.864 7.644 1.00 0.00 C ATOM 432 CD GLU A 25 3.501 -12.257 8.108 1.00 0.00 C ATOM 433 OE1 GLU A 25 2.636 -13.015 8.615 1.00 0.00 O ATOM 434 OE2 GLU A 25 4.723 -12.534 8.122 1.00 0.00 O ATOM 0 H GLU A 25 1.742 -8.391 7.716 1.00 0.00 H new ATOM 0 HA GLU A 25 1.604 -9.359 4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.635 -11.680 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.046 -10.978 5.499 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.951 -10.231 7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.426 -10.425 8.409 1.00 0.00 H new ATOM 441 N LYS A 26 -0.806 -10.248 5.536 1.00 0.00 N ATOM 442 CA LYS A 26 -2.225 -10.499 5.830 1.00 0.00 C ATOM 443 C LYS A 26 -2.745 -11.612 4.937 1.00 0.00 C ATOM 444 O LYS A 26 -2.208 -11.846 3.858 1.00 0.00 O ATOM 445 CB LYS A 26 -3.044 -9.231 5.541 1.00 0.00 C ATOM 446 CG LYS A 26 -4.456 -9.071 6.133 1.00 0.00 C ATOM 447 CD LYS A 26 -4.494 -9.206 7.656 1.00 0.00 C ATOM 448 CE LYS A 26 -5.791 -8.902 8.420 1.00 0.00 C ATOM 449 NZ LYS A 26 -6.805 -9.980 8.342 1.00 0.00 N ATOM 0 H LYS A 26 -0.526 -10.544 4.601 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.321 -10.781 6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.453 -8.380 5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.136 -9.145 4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.851 -8.095 5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.114 -9.820 5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.207 -10.229 7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.719 -8.554 8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.549 -8.720 9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.224 -7.981 8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.650 -9.702 8.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.066 -10.140 7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.412 -10.856 8.742 1.00 0.00 H new ATOM 463 N GLU A 27 -3.839 -12.215 5.378 1.00 0.00 N ATOM 464 CA GLU A 27 -4.646 -13.197 4.691 1.00 0.00 C ATOM 465 C GLU A 27 -5.422 -12.648 3.510 1.00 0.00 C ATOM 466 O GLU A 27 -5.643 -11.448 3.374 1.00 0.00 O ATOM 467 CB GLU A 27 -5.641 -13.729 5.715 1.00 0.00 C ATOM 468 CG GLU A 27 -6.041 -15.198 5.589 1.00 0.00 C ATOM 469 CD GLU A 27 -6.914 -15.646 6.766 1.00 0.00 C ATOM 470 OE1 GLU A 27 -7.731 -14.836 7.248 1.00 0.00 O ATOM 471 OE2 GLU A 27 -6.723 -16.782 7.262 1.00 0.00 O ATOM 0 H GLU A 27 -4.211 -12.008 6.305 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.979 -13.958 4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.220 -13.576 6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.546 -13.124 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.582 -15.350 4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.145 -15.817 5.543 1.00 0.00 H new ATOM 478 N VAL A 28 -5.939 -13.606 2.756 1.00 0.00 N ATOM 479 CA VAL A 28 -6.673 -13.528 1.491 1.00 0.00 C ATOM 480 C VAL A 28 -8.155 -13.138 1.684 1.00 0.00 C ATOM 481 O VAL A 28 -9.065 -13.667 1.038 1.00 0.00 O ATOM 482 CB VAL A 28 -6.427 -14.864 0.755 1.00 0.00 C ATOM 483 CG1 VAL A 28 -7.087 -16.089 1.414 1.00 0.00 C ATOM 484 CG2 VAL A 28 -6.791 -14.794 -0.726 1.00 0.00 C ATOM 0 H VAL A 28 -5.845 -14.579 3.049 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.307 -12.714 0.865 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.351 -15.014 0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.862 -16.982 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.701 -16.210 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.167 -15.944 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.598 -15.759 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.847 -14.545 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.188 -14.028 -1.213 1.00 0.00 H new ATOM 494 N SER A 29 -8.398 -12.236 2.627 1.00 0.00 N ATOM 495 CA SER A 29 -9.717 -11.825 3.072 1.00 0.00 C ATOM 496 C SER A 29 -10.090 -10.488 2.413 1.00 0.00 C ATOM 497 O SER A 29 -9.414 -10.031 1.491 1.00 0.00 O ATOM 498 CB SER A 29 -9.632 -11.765 4.598 1.00 0.00 C ATOM 499 OG SER A 29 -10.883 -11.971 5.217 1.00 0.00 O ATOM 0 H SER A 29 -7.648 -11.753 3.121 1.00 0.00 H new ATOM 0 HA SER A 29 -10.511 -12.514 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.928 -12.519 4.949 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.237 -10.795 4.899 1.00 0.00 H new ATOM 0 HG SER A 29 -10.778 -11.925 6.190 1.00 0.00 H new ATOM 505 N GLU A 30 -11.146 -9.817 2.874 1.00 0.00 N ATOM 506 CA GLU A 30 -11.329 -8.400 2.585 1.00 0.00 C ATOM 507 C GLU A 30 -11.848 -7.705 3.837 1.00 0.00 C ATOM 508 O GLU A 30 -12.600 -8.301 4.608 1.00 0.00 O ATOM 509 CB GLU A 30 -12.188 -8.176 1.323 1.00 0.00 C ATOM 510 CG GLU A 30 -13.674 -8.533 1.408 1.00 0.00 C ATOM 511 CD GLU A 30 -14.351 -8.485 0.030 1.00 0.00 C ATOM 512 OE1 GLU A 30 -14.390 -7.413 -0.627 1.00 0.00 O ATOM 513 OE2 GLU A 30 -14.872 -9.521 -0.439 1.00 0.00 O ATOM 0 H GLU A 30 -11.882 -10.232 3.446 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.373 -7.941 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.110 -7.125 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.749 -8.754 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.785 -9.531 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.176 -7.841 2.084 1.00 0.00 H new ATOM 520 N PHE A 31 -11.433 -6.459 4.048 1.00 0.00 N ATOM 521 CA PHE A 31 -11.860 -5.597 5.139 1.00 0.00 C ATOM 522 C PHE A 31 -11.772 -4.146 4.672 1.00 0.00 C ATOM 523 O PHE A 31 -11.340 -3.858 3.555 1.00 0.00 O ATOM 524 CB PHE A 31 -11.034 -5.850 6.416 1.00 0.00 C ATOM 525 CG PHE A 31 -9.521 -5.797 6.270 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.862 -4.557 6.153 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.766 -6.988 6.289 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.465 -4.507 6.004 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.364 -6.945 6.180 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.718 -5.701 6.018 1.00 0.00 C ATOM 0 H PHE A 31 -10.758 -6.004 3.433 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.893 -5.822 5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.330 -5.115 7.164 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.304 -6.831 6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.433 -3.641 6.178 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.267 -7.939 6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.967 -3.557 5.879 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.787 -7.857 6.220 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.645 -5.664 5.904 1.00 0.00 H new ATOM 540 N ASP A 32 -12.138 -3.201 5.528 1.00 0.00 N ATOM 541 CA ASP A 32 -12.150 -1.772 5.224 1.00 0.00 C ATOM 542 C ASP A 32 -11.246 -1.050 6.208 1.00 0.00 C ATOM 543 O ASP A 32 -11.361 -1.264 7.416 1.00 0.00 O ATOM 544 CB ASP A 32 -13.573 -1.213 5.254 1.00 0.00 C ATOM 545 CG ASP A 32 -14.218 -1.251 6.642 1.00 0.00 C ATOM 546 OD1 ASP A 32 -14.713 -2.332 7.044 1.00 0.00 O ATOM 547 OD2 ASP A 32 -14.262 -0.192 7.304 1.00 0.00 O ATOM 0 H ASP A 32 -12.443 -3.410 6.479 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.773 -1.614 4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.557 -0.183 4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.192 -1.781 4.559 1.00 0.00 H new ATOM 552 N TRP A 33 -10.326 -0.228 5.703 1.00 0.00 N ATOM 553 CA TRP A 33 -9.348 0.466 6.540 1.00 0.00 C ATOM 554 C TRP A 33 -9.523 1.991 6.512 1.00 0.00 C ATOM 555 O TRP A 33 -10.090 2.569 5.578 1.00 0.00 O ATOM 556 CB TRP A 33 -7.928 0.023 6.150 1.00 0.00 C ATOM 557 CG TRP A 33 -6.890 0.342 7.177 1.00 0.00 C ATOM 558 CD1 TRP A 33 -6.092 1.430 7.176 1.00 0.00 C ATOM 559 CD2 TRP A 33 -6.595 -0.377 8.412 1.00 0.00 C ATOM 560 NE1 TRP A 33 -5.300 1.418 8.307 1.00 0.00 N ATOM 561 CE2 TRP A 33 -5.565 0.324 9.103 1.00 0.00 C ATOM 562 CE3 TRP A 33 -7.110 -1.538 9.029 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -5.052 -0.120 10.328 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -6.614 -1.983 10.270 1.00 0.00 C ATOM 565 CH2 TRP A 33 -5.581 -1.279 10.917 1.00 0.00 C ATOM 0 H TRP A 33 -10.238 -0.025 4.707 1.00 0.00 H new ATOM 0 HA TRP A 33 -9.521 0.182 7.578 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.930 -1.052 5.971 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.654 0.502 5.210 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.075 2.191 6.410 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -4.604 2.131 8.527 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.897 -2.094 8.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -4.257 0.424 10.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -7.029 -2.869 10.728 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -5.197 -1.629 11.864 1.00 0.00 H new ATOM 576 N TYR A 34 -8.962 2.662 7.520 1.00 0.00 N ATOM 577 CA TYR A 34 -8.928 4.105 7.706 1.00 0.00 C ATOM 578 C TYR A 34 -7.470 4.511 7.965 1.00 0.00 C ATOM 579 O TYR A 34 -6.879 4.175 9.001 1.00 0.00 O ATOM 580 CB TYR A 34 -9.873 4.490 8.856 1.00 0.00 C ATOM 581 CG TYR A 34 -10.177 5.968 9.009 1.00 0.00 C ATOM 582 CD1 TYR A 34 -9.148 6.878 9.313 1.00 0.00 C ATOM 583 CD2 TYR A 34 -11.503 6.431 8.907 1.00 0.00 C ATOM 584 CE1 TYR A 34 -9.428 8.241 9.473 1.00 0.00 C ATOM 585 CE2 TYR A 34 -11.805 7.784 9.148 1.00 0.00 C ATOM 586 CZ TYR A 34 -10.763 8.694 9.429 1.00 0.00 C ATOM 587 OH TYR A 34 -11.024 10.019 9.603 1.00 0.00 O ATOM 0 H TYR A 34 -8.487 2.172 8.278 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.277 4.639 6.822 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.815 3.959 8.717 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.440 4.131 9.790 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.134 6.523 9.424 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.293 5.744 8.642 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.623 8.944 9.630 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.829 8.125 9.118 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.990 10.173 9.544 1.00 0.00 H new ATOM 597 N TYR A 35 -6.875 5.230 7.016 1.00 0.00 N ATOM 598 CA TYR A 35 -5.609 5.927 7.167 1.00 0.00 C ATOM 599 C TYR A 35 -5.910 7.282 7.784 1.00 0.00 C ATOM 600 O TYR A 35 -6.761 8.013 7.281 1.00 0.00 O ATOM 601 CB TYR A 35 -4.919 6.081 5.801 1.00 0.00 C ATOM 602 CG TYR A 35 -4.598 4.753 5.138 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.927 3.759 5.870 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.040 4.470 3.831 1.00 0.00 C ATOM 605 CE1 TYR A 35 -3.716 2.494 5.316 1.00 0.00 C ATOM 606 CE2 TYR A 35 -4.825 3.198 3.268 1.00 0.00 C ATOM 607 CZ TYR A 35 -4.166 2.200 4.015 1.00 0.00 C ATOM 608 OH TYR A 35 -3.978 0.952 3.512 1.00 0.00 O ATOM 0 H TYR A 35 -7.280 5.345 6.087 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.929 5.366 7.808 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.562 6.663 5.141 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.997 6.648 5.929 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.572 3.974 6.867 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.546 5.233 3.258 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.204 1.736 5.890 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.164 2.987 2.265 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.776 0.676 3.015 1.00 0.00 H new ATOM 618 N ASP A 36 -5.227 7.611 8.872 1.00 0.00 N ATOM 619 CA ASP A 36 -5.445 8.796 9.695 1.00 0.00 C ATOM 620 C ASP A 36 -4.177 9.666 9.755 1.00 0.00 C ATOM 621 O ASP A 36 -4.195 10.753 10.333 1.00 0.00 O ATOM 622 CB ASP A 36 -5.893 8.314 11.081 1.00 0.00 C ATOM 623 CG ASP A 36 -6.285 9.468 11.993 1.00 0.00 C ATOM 624 OD1 ASP A 36 -7.315 10.136 11.753 1.00 0.00 O ATOM 625 OD2 ASP A 36 -5.533 9.758 12.952 1.00 0.00 O ATOM 0 H ASP A 36 -4.466 7.029 9.224 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.218 9.433 9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.739 7.636 10.972 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.087 7.745 11.544 1.00 0.00 H new ATOM 630 N THR A 37 -3.090 9.205 9.133 1.00 0.00 N ATOM 631 CA THR A 37 -1.789 9.834 8.935 1.00 0.00 C ATOM 632 C THR A 37 -1.189 9.295 7.623 1.00 0.00 C ATOM 633 O THR A 37 -1.791 8.435 6.971 1.00 0.00 O ATOM 634 CB THR A 37 -0.898 9.664 10.188 1.00 0.00 C ATOM 635 OG1 THR A 37 -1.374 8.727 11.144 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.855 11.017 10.896 1.00 0.00 C ATOM 0 H THR A 37 -3.106 8.277 8.710 1.00 0.00 H new ATOM 0 HA THR A 37 -1.878 10.914 8.821 1.00 0.00 H new ATOM 0 HB THR A 37 0.065 9.298 9.832 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.750 8.684 11.898 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.234 10.941 11.789 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.435 11.766 10.225 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.865 11.311 11.180 1.00 0.00 H new ATOM 644 N ASN A 38 -0.072 9.870 7.163 1.00 0.00 N ATOM 645 CA ASN A 38 0.528 9.511 5.875 1.00 0.00 C ATOM 646 C ASN A 38 1.137 8.126 6.040 1.00 0.00 C ATOM 647 O ASN A 38 1.620 7.797 7.125 1.00 0.00 O ATOM 648 CB ASN A 38 1.628 10.504 5.483 1.00 0.00 C ATOM 649 CG ASN A 38 1.199 11.964 5.524 1.00 0.00 C ATOM 650 OD1 ASN A 38 0.421 12.438 4.694 1.00 0.00 O ATOM 651 ND2 ASN A 38 1.736 12.722 6.465 1.00 0.00 N ATOM 0 H ASN A 38 0.438 10.593 7.670 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.230 9.529 5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.478 10.369 6.151 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.973 10.267 4.477 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.508 13.715 6.512 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.378 12.314 7.144 1.00 0.00 H new ATOM 658 N GLU A 39 1.153 7.307 4.992 1.00 0.00 N ATOM 659 CA GLU A 39 1.799 6.006 5.064 1.00 0.00 C ATOM 660 C GLU A 39 2.320 5.642 3.688 1.00 0.00 C ATOM 661 O GLU A 39 1.544 5.566 2.733 1.00 0.00 O ATOM 662 CB GLU A 39 0.823 4.965 5.615 1.00 0.00 C ATOM 663 CG GLU A 39 1.481 3.598 5.856 1.00 0.00 C ATOM 664 CD GLU A 39 0.523 2.589 6.506 1.00 0.00 C ATOM 665 OE1 GLU A 39 -0.611 2.947 6.909 1.00 0.00 O ATOM 666 OE2 GLU A 39 0.828 1.377 6.515 1.00 0.00 O ATOM 0 H GLU A 39 0.728 7.522 4.090 1.00 0.00 H new ATOM 0 HA GLU A 39 2.646 6.036 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.401 5.330 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.006 4.846 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.836 3.197 4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.355 3.727 6.494 1.00 0.00 H new ATOM 673 N THR A 40 3.634 5.454 3.593 1.00 0.00 N ATOM 674 CA THR A 40 4.305 5.002 2.391 1.00 0.00 C ATOM 675 C THR A 40 4.490 3.495 2.529 1.00 0.00 C ATOM 676 O THR A 40 5.022 3.030 3.539 1.00 0.00 O ATOM 677 CB THR A 40 5.621 5.778 2.229 1.00 0.00 C ATOM 678 OG1 THR A 40 5.290 7.129 1.971 1.00 0.00 O ATOM 679 CG2 THR A 40 6.433 5.315 1.026 1.00 0.00 C ATOM 0 H THR A 40 4.271 5.618 4.372 1.00 0.00 H new ATOM 0 HA THR A 40 3.732 5.193 1.484 1.00 0.00 H new ATOM 0 HB THR A 40 6.205 5.625 3.137 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.334 7.642 2.805 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.352 5.898 0.961 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.680 4.259 1.138 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.849 5.456 0.117 1.00 0.00 H new ATOM 687 N CYS A 41 4.035 2.729 1.542 1.00 0.00 N ATOM 688 CA CYS A 41 4.001 1.278 1.571 1.00 0.00 C ATOM 689 C CYS A 41 4.345 0.732 0.188 1.00 0.00 C ATOM 690 O CYS A 41 3.713 1.103 -0.802 1.00 0.00 O ATOM 691 CB CYS A 41 2.638 0.770 2.078 1.00 0.00 C ATOM 692 SG CYS A 41 1.269 1.911 1.698 1.00 0.00 S ATOM 0 H CYS A 41 3.669 3.118 0.673 1.00 0.00 H new ATOM 0 HA CYS A 41 4.749 0.911 2.273 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.429 -0.202 1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.690 0.620 3.156 1.00 0.00 H new ATOM 0 HG CYS A 41 0.154 1.415 2.146 1.00 0.00 H new ATOM 698 N TYR A 42 5.348 -0.144 0.125 1.00 0.00 N ATOM 699 CA TYR A 42 5.838 -0.776 -1.094 1.00 0.00 C ATOM 700 C TYR A 42 5.353 -2.223 -1.119 1.00 0.00 C ATOM 701 O TYR A 42 5.609 -2.948 -0.156 1.00 0.00 O ATOM 702 CB TYR A 42 7.376 -0.702 -1.134 1.00 0.00 C ATOM 703 CG TYR A 42 7.959 -1.342 -2.382 1.00 0.00 C ATOM 704 CD1 TYR A 42 7.551 -0.898 -3.655 1.00 0.00 C ATOM 705 CD2 TYR A 42 8.835 -2.438 -2.274 1.00 0.00 C ATOM 706 CE1 TYR A 42 7.975 -1.570 -4.812 1.00 0.00 C ATOM 707 CE2 TYR A 42 9.246 -3.133 -3.428 1.00 0.00 C ATOM 708 CZ TYR A 42 8.794 -2.715 -4.701 1.00 0.00 C ATOM 709 OH TYR A 42 9.134 -3.404 -5.825 1.00 0.00 O ATOM 0 H TYR A 42 5.859 -0.442 0.956 1.00 0.00 H new ATOM 0 HA TYR A 42 5.456 -0.259 -1.974 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.687 0.342 -1.086 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.783 -1.197 -0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 42 6.908 -0.035 -3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.193 -2.747 -1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.675 -1.212 -5.786 1.00 0.00 H new ATOM 0 HE2 TYR A 42 9.905 -3.984 -3.341 1.00 0.00 H new ATOM 0 HH TYR A 42 9.702 -4.165 -5.583 1.00 0.00 H new ATOM 719 N ILE A 43 4.638 -2.631 -2.173 1.00 0.00 N ATOM 720 CA ILE A 43 4.153 -3.999 -2.351 1.00 0.00 C ATOM 721 C ILE A 43 5.316 -4.874 -2.837 1.00 0.00 C ATOM 722 O ILE A 43 5.782 -4.705 -3.966 1.00 0.00 O ATOM 723 CB ILE A 43 2.966 -4.023 -3.346 1.00 0.00 C ATOM 724 CG1 ILE A 43 1.787 -3.092 -2.963 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.456 -5.467 -3.517 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.185 -3.375 -1.581 1.00 0.00 C ATOM 0 H ILE A 43 4.377 -2.008 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 43 3.787 -4.395 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 43 3.359 -3.635 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.131 -2.058 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.004 -3.189 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.621 -5.477 -4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.261 -6.094 -3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.125 -5.853 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.367 -2.680 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.807 -4.397 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.952 -3.249 -0.817 1.00 0.00 H new ATOM 738 N LEU A 44 5.775 -5.816 -2.003 1.00 0.00 N ATOM 739 CA LEU A 44 6.896 -6.700 -2.330 1.00 0.00 C ATOM 740 C LEU A 44 6.446 -8.055 -2.844 1.00 0.00 C ATOM 741 O LEU A 44 7.238 -8.712 -3.503 1.00 0.00 O ATOM 742 CB LEU A 44 7.816 -6.934 -1.125 1.00 0.00 C ATOM 743 CG LEU A 44 8.450 -5.618 -0.662 1.00 0.00 C ATOM 744 CD1 LEU A 44 7.807 -5.167 0.643 1.00 0.00 C ATOM 745 CD2 LEU A 44 9.969 -5.703 -0.511 1.00 0.00 C ATOM 0 H LEU A 44 5.376 -5.985 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 44 7.440 -6.180 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.247 -7.376 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.597 -7.646 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 44 8.262 -4.880 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.261 -4.231 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.738 -5.018 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.961 -5.929 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.356 -4.739 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.219 -6.466 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.416 -5.964 -1.470 1.00 0.00 H new ATOM 757 N GLU A 45 5.224 -8.497 -2.561 1.00 0.00 N ATOM 758 CA GLU A 45 4.643 -9.710 -3.123 1.00 0.00 C ATOM 759 C GLU A 45 3.150 -9.695 -2.799 1.00 0.00 C ATOM 760 O GLU A 45 2.754 -9.147 -1.769 1.00 0.00 O ATOM 761 CB GLU A 45 5.357 -10.988 -2.607 1.00 0.00 C ATOM 762 CG GLU A 45 5.465 -11.125 -1.077 1.00 0.00 C ATOM 763 CD GLU A 45 6.519 -12.146 -0.610 1.00 0.00 C ATOM 764 OE1 GLU A 45 6.763 -13.174 -1.287 1.00 0.00 O ATOM 765 OE2 GLU A 45 7.147 -11.937 0.455 1.00 0.00 O ATOM 0 H GLU A 45 4.597 -8.010 -1.920 1.00 0.00 H new ATOM 0 HA GLU A 45 4.781 -9.732 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.827 -11.858 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.363 -11.014 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.705 -10.151 -0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.492 -11.415 -0.679 1.00 0.00 H new ATOM 772 N GLY A 46 2.337 -10.288 -3.676 1.00 0.00 N ATOM 773 CA GLY A 46 0.890 -10.503 -3.474 1.00 0.00 C ATOM 774 C GLY A 46 -0.011 -9.495 -4.205 1.00 0.00 C ATOM 775 O GLY A 46 0.489 -8.592 -4.886 1.00 0.00 O ATOM 0 H GLY A 46 2.669 -10.644 -4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.635 -11.509 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.674 -10.457 -2.407 1.00 0.00 H new ATOM 779 N LYS A 47 -1.344 -9.640 -4.091 1.00 0.00 N ATOM 780 CA LYS A 47 -2.326 -8.837 -4.840 1.00 0.00 C ATOM 781 C LYS A 47 -3.437 -8.333 -3.925 1.00 0.00 C ATOM 782 O LYS A 47 -3.991 -9.087 -3.125 1.00 0.00 O ATOM 783 CB LYS A 47 -2.949 -9.647 -5.993 1.00 0.00 C ATOM 784 CG LYS A 47 -2.911 -8.958 -7.370 1.00 0.00 C ATOM 785 CD LYS A 47 -3.509 -7.549 -7.511 1.00 0.00 C ATOM 786 CE LYS A 47 -5.034 -7.446 -7.321 1.00 0.00 C ATOM 787 NZ LYS A 47 -5.814 -7.841 -8.518 1.00 0.00 N ATOM 0 H LYS A 47 -1.773 -10.325 -3.469 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.789 -7.984 -5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.429 -10.602 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.987 -9.867 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.869 -8.907 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.426 -9.607 -8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.026 -6.896 -6.784 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.258 -7.166 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.330 -8.076 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.289 -6.420 -7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.830 -7.747 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.560 -7.225 -9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.600 -8.829 -8.762 1.00 0.00 H new ATOM 801 N VAL A 48 -3.861 -7.094 -4.146 1.00 0.00 N ATOM 802 CA VAL A 48 -4.934 -6.432 -3.416 1.00 0.00 C ATOM 803 C VAL A 48 -5.726 -5.610 -4.434 1.00 0.00 C ATOM 804 O VAL A 48 -5.125 -5.106 -5.376 1.00 0.00 O ATOM 805 CB VAL A 48 -4.324 -5.541 -2.303 1.00 0.00 C ATOM 806 CG1 VAL A 48 -5.391 -4.796 -1.485 1.00 0.00 C ATOM 807 CG2 VAL A 48 -3.469 -6.338 -1.306 1.00 0.00 C ATOM 0 H VAL A 48 -3.450 -6.501 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.598 -7.146 -2.929 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.702 -4.829 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.905 -4.189 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.972 -4.152 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.053 -5.518 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.068 -5.663 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.085 -7.098 -0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.647 -6.819 -1.835 1.00 0.00 H new ATOM 817 N GLU A 49 -7.038 -5.440 -4.255 1.00 0.00 N ATOM 818 CA GLU A 49 -7.868 -4.395 -4.857 1.00 0.00 C ATOM 819 C GLU A 49 -8.311 -3.494 -3.696 1.00 0.00 C ATOM 820 O GLU A 49 -9.220 -3.841 -2.933 1.00 0.00 O ATOM 821 CB GLU A 49 -9.094 -4.981 -5.601 1.00 0.00 C ATOM 822 CG GLU A 49 -8.892 -5.092 -7.118 1.00 0.00 C ATOM 823 CD GLU A 49 -10.154 -5.565 -7.860 1.00 0.00 C ATOM 824 OE1 GLU A 49 -10.596 -6.721 -7.671 1.00 0.00 O ATOM 825 OE2 GLU A 49 -10.708 -4.825 -8.707 1.00 0.00 O ATOM 0 H GLU A 49 -7.579 -6.062 -3.654 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.306 -3.842 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.315 -5.969 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.963 -4.354 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.589 -4.121 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.077 -5.786 -7.320 1.00 0.00 H new ATOM 832 N VAL A 50 -7.651 -2.352 -3.503 1.00 0.00 N ATOM 833 CA VAL A 50 -8.186 -1.284 -2.655 1.00 0.00 C ATOM 834 C VAL A 50 -9.382 -0.679 -3.410 1.00 0.00 C ATOM 835 O VAL A 50 -9.419 -0.785 -4.641 1.00 0.00 O ATOM 836 CB VAL A 50 -7.065 -0.256 -2.348 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.440 0.860 -1.363 1.00 0.00 C ATOM 838 CG2 VAL A 50 -5.827 -0.983 -1.792 1.00 0.00 C ATOM 0 H VAL A 50 -6.745 -2.142 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.531 -1.647 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.872 0.229 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.585 1.521 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.278 1.431 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.723 0.421 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.043 -0.256 -1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.095 -1.508 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.465 -1.701 -2.528 1.00 0.00 H new ATOM 848 N THR A 51 -10.343 -0.008 -2.757 1.00 0.00 N ATOM 849 CA THR A 51 -11.252 0.829 -3.544 1.00 0.00 C ATOM 850 C THR A 51 -11.633 2.004 -2.653 1.00 0.00 C ATOM 851 O THR A 51 -11.873 1.799 -1.460 1.00 0.00 O ATOM 852 CB THR A 51 -12.473 0.005 -4.008 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.965 0.490 -5.243 1.00 0.00 O ATOM 854 CG2 THR A 51 -13.769 0.120 -3.202 1.00 0.00 C ATOM 0 H THR A 51 -10.505 -0.024 -1.750 1.00 0.00 H new ATOM 0 HA THR A 51 -10.785 1.199 -4.457 1.00 0.00 H new ATOM 0 HB THR A 51 -12.048 -0.997 -3.960 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.520 1.335 -5.463 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.533 -0.515 -3.649 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.588 -0.198 -2.175 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.110 1.155 -3.207 1.00 0.00 H new ATOM 862 N THR A 52 -11.637 3.219 -3.190 1.00 0.00 N ATOM 863 CA THR A 52 -12.024 4.381 -2.409 1.00 0.00 C ATOM 864 C THR A 52 -13.553 4.527 -2.391 1.00 0.00 C ATOM 865 O THR A 52 -14.262 3.778 -3.069 1.00 0.00 O ATOM 866 CB THR A 52 -11.295 5.623 -2.929 1.00 0.00 C ATOM 867 OG1 THR A 52 -11.614 5.929 -4.270 1.00 0.00 O ATOM 868 CG2 THR A 52 -9.771 5.508 -2.804 1.00 0.00 C ATOM 0 H THR A 52 -11.378 3.421 -4.156 1.00 0.00 H new ATOM 0 HA THR A 52 -11.720 4.253 -1.370 1.00 0.00 H new ATOM 0 HB THR A 52 -11.648 6.432 -2.290 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.123 6.730 -4.549 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.305 6.416 -3.187 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.501 5.376 -1.756 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.422 4.650 -3.379 1.00 0.00 H new ATOM 876 N GLU A 53 -14.076 5.500 -1.640 1.00 0.00 N ATOM 877 CA GLU A 53 -15.514 5.714 -1.506 1.00 0.00 C ATOM 878 C GLU A 53 -16.152 6.134 -2.836 1.00 0.00 C ATOM 879 O GLU A 53 -17.307 5.816 -3.123 1.00 0.00 O ATOM 880 CB GLU A 53 -15.761 6.742 -0.388 1.00 0.00 C ATOM 881 CG GLU A 53 -17.204 6.719 0.130 1.00 0.00 C ATOM 882 CD GLU A 53 -17.633 5.324 0.578 1.00 0.00 C ATOM 883 OE1 GLU A 53 -16.890 4.672 1.353 1.00 0.00 O ATOM 884 OE2 GLU A 53 -18.649 4.823 0.063 1.00 0.00 O ATOM 0 H GLU A 53 -13.510 6.161 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.996 4.776 -1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.079 6.544 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.529 7.740 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.300 7.413 0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.875 7.070 -0.654 1.00 0.00 H new ATOM 891 N ASP A 54 -15.359 6.767 -3.703 1.00 0.00 N ATOM 892 CA ASP A 54 -15.676 7.105 -5.100 1.00 0.00 C ATOM 893 C ASP A 54 -15.856 5.848 -5.969 1.00 0.00 C ATOM 894 O ASP A 54 -16.168 5.948 -7.162 1.00 0.00 O ATOM 895 CB ASP A 54 -14.549 7.974 -5.695 1.00 0.00 C ATOM 896 CG ASP A 54 -14.564 9.421 -5.198 1.00 0.00 C ATOM 897 OD1 ASP A 54 -14.480 9.625 -3.961 1.00 0.00 O ATOM 898 OD2 ASP A 54 -14.577 10.350 -6.037 1.00 0.00 O ATOM 0 H ASP A 54 -14.424 7.077 -3.438 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.618 7.654 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.587 7.524 -5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.634 7.971 -6.782 1.00 0.00 H new ATOM 903 N GLY A 55 -15.628 4.658 -5.407 1.00 0.00 N ATOM 904 CA GLY A 55 -15.744 3.368 -6.062 1.00 0.00 C ATOM 905 C GLY A 55 -14.616 3.081 -7.048 1.00 0.00 C ATOM 906 O GLY A 55 -14.682 2.063 -7.738 1.00 0.00 O ATOM 0 H GLY A 55 -15.343 4.572 -4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.761 2.585 -5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.697 3.322 -6.589 1.00 0.00 H new ATOM 910 N LYS A 56 -13.613 3.963 -7.130 1.00 0.00 N ATOM 911 CA LYS A 56 -12.409 3.787 -7.935 1.00 0.00 C ATOM 912 C LYS A 56 -11.672 2.620 -7.313 1.00 0.00 C ATOM 913 O LYS A 56 -11.475 2.620 -6.090 1.00 0.00 O ATOM 914 CB LYS A 56 -11.518 5.037 -7.882 1.00 0.00 C ATOM 915 CG LYS A 56 -12.220 6.334 -8.297 1.00 0.00 C ATOM 916 CD LYS A 56 -12.111 6.707 -9.778 1.00 0.00 C ATOM 917 CE LYS A 56 -12.798 8.075 -9.923 1.00 0.00 C ATOM 918 NZ LYS A 56 -12.966 8.534 -11.317 1.00 0.00 N ATOM 0 H LYS A 56 -13.622 4.846 -6.619 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.663 3.615 -8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.137 5.153 -6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.656 4.881 -8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.276 6.252 -8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.810 7.152 -7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.068 6.759 -10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.595 5.959 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.779 8.026 -9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.217 8.818 -9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.436 9.462 -11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.034 8.616 -11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.547 7.848 -11.841 1.00 0.00 H new ATOM 932 N LYS A 57 -11.301 1.614 -8.091 1.00 0.00 N ATOM 933 CA LYS A 57 -10.438 0.554 -7.588 1.00 0.00 C ATOM 934 C LYS A 57 -8.995 0.978 -7.744 1.00 0.00 C ATOM 935 O LYS A 57 -8.617 1.538 -8.774 1.00 0.00 O ATOM 936 CB LYS A 57 -10.643 -0.755 -8.351 1.00 0.00 C ATOM 937 CG LYS A 57 -11.737 -1.626 -7.736 1.00 0.00 C ATOM 938 CD LYS A 57 -13.139 -1.335 -8.294 1.00 0.00 C ATOM 939 CE LYS A 57 -14.057 -2.536 -8.035 1.00 0.00 C ATOM 940 NZ LYS A 57 -13.585 -3.739 -8.760 1.00 0.00 N ATOM 0 H LYS A 57 -11.581 1.509 -9.066 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.690 0.386 -6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.900 -0.532 -9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.706 -1.312 -8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.496 -2.675 -7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.746 -1.476 -6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.550 -0.442 -7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.081 -1.133 -9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.094 -2.744 -6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.073 -2.295 -8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.380 -4.396 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.204 -3.459 -9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.840 -4.208 -8.206 1.00 0.00 H new ATOM 954 N TYR A 58 -8.173 0.561 -6.787 1.00 0.00 N ATOM 955 CA TYR A 58 -6.731 0.621 -6.888 1.00 0.00 C ATOM 956 C TYR A 58 -6.160 -0.694 -6.427 1.00 0.00 C ATOM 957 O TYR A 58 -5.776 -0.916 -5.277 1.00 0.00 O ATOM 958 CB TYR A 58 -6.172 1.818 -6.122 1.00 0.00 C ATOM 959 CG TYR A 58 -6.744 3.156 -6.538 1.00 0.00 C ATOM 960 CD1 TYR A 58 -6.214 3.836 -7.649 1.00 0.00 C ATOM 961 CD2 TYR A 58 -7.820 3.711 -5.819 1.00 0.00 C ATOM 962 CE1 TYR A 58 -6.728 5.087 -8.023 1.00 0.00 C ATOM 963 CE2 TYR A 58 -8.354 4.957 -6.201 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.789 5.658 -7.289 1.00 0.00 C ATOM 965 OH TYR A 58 -8.264 6.883 -7.642 1.00 0.00 O ATOM 0 H TYR A 58 -8.502 0.166 -5.906 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.434 0.776 -7.925 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.361 1.672 -5.058 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.090 1.844 -6.253 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.408 3.394 -8.216 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.236 3.181 -4.975 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.312 5.611 -8.871 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.193 5.375 -5.664 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.995 7.136 -7.040 1.00 0.00 H new ATOM 975 N VAL A 59 -6.139 -1.584 -7.397 1.00 0.00 N ATOM 976 CA VAL A 59 -5.195 -2.660 -7.448 1.00 0.00 C ATOM 977 C VAL A 59 -3.780 -2.106 -7.502 1.00 0.00 C ATOM 978 O VAL A 59 -3.512 -1.092 -8.153 1.00 0.00 O ATOM 979 CB VAL A 59 -5.579 -3.584 -8.597 1.00 0.00 C ATOM 980 CG1 VAL A 59 -5.962 -2.849 -9.868 1.00 0.00 C ATOM 981 CG2 VAL A 59 -4.457 -4.580 -8.902 1.00 0.00 C ATOM 0 H VAL A 59 -6.792 -1.572 -8.181 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.218 -3.270 -6.545 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.466 -4.117 -8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.223 -3.571 -10.641 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.818 -2.203 -9.671 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.121 -2.244 -10.206 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.759 -5.227 -9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.554 -4.037 -9.179 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.259 -5.187 -8.018 1.00 0.00 H new ATOM 991 N ILE A 60 -2.907 -2.834 -6.824 1.00 0.00 N ATOM 992 CA ILE A 60 -1.483 -2.639 -6.707 1.00 0.00 C ATOM 993 C ILE A 60 -0.880 -4.035 -6.796 1.00 0.00 C ATOM 994 O ILE A 60 -1.394 -4.965 -6.160 1.00 0.00 O ATOM 995 CB ILE A 60 -1.162 -1.928 -5.372 1.00 0.00 C ATOM 996 CG1 ILE A 60 -1.926 -2.493 -4.139 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.428 -0.433 -5.540 1.00 0.00 C ATOM 998 CD1 ILE A 60 -1.775 -1.668 -2.855 1.00 0.00 C ATOM 0 H ILE A 60 -3.213 -3.651 -6.295 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.069 -2.001 -7.488 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.111 -2.116 -5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.985 -2.563 -4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.576 -3.507 -3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.206 0.083 -4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.793 -0.037 -6.333 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.475 -0.277 -5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.342 -2.139 -2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.722 -1.618 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.154 -0.660 -3.024 1.00 0.00 H new ATOM 1010 N GLU A 61 0.153 -4.196 -7.614 1.00 0.00 N ATOM 1011 CA GLU A 61 0.846 -5.460 -7.816 1.00 0.00 C ATOM 1012 C GLU A 61 2.254 -5.350 -7.231 1.00 0.00 C ATOM 1013 O GLU A 61 2.635 -4.324 -6.663 1.00 0.00 O ATOM 1014 CB GLU A 61 0.892 -5.877 -9.300 1.00 0.00 C ATOM 1015 CG GLU A 61 -0.341 -5.544 -10.158 1.00 0.00 C ATOM 1016 CD GLU A 61 -0.450 -4.064 -10.568 1.00 0.00 C ATOM 1017 OE1 GLU A 61 0.570 -3.342 -10.484 1.00 0.00 O ATOM 1018 OE2 GLU A 61 -1.558 -3.607 -10.953 1.00 0.00 O ATOM 0 H GLU A 61 0.540 -3.432 -8.168 1.00 0.00 H new ATOM 0 HA GLU A 61 0.291 -6.244 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.761 -5.404 -9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.055 -6.954 -9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.318 -6.157 -11.059 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.239 -5.822 -9.606 1.00 0.00 H new ATOM 1025 N LYS A 62 3.025 -6.430 -7.349 1.00 0.00 N ATOM 1026 CA LYS A 62 4.422 -6.461 -6.935 1.00 0.00 C ATOM 1027 C LYS A 62 5.197 -5.479 -7.812 1.00 0.00 C ATOM 1028 O LYS A 62 5.394 -5.759 -9.000 1.00 0.00 O ATOM 1029 CB LYS A 62 4.928 -7.909 -7.024 1.00 0.00 C ATOM 1030 CG LYS A 62 6.413 -8.045 -6.675 1.00 0.00 C ATOM 1031 CD LYS A 62 6.849 -9.517 -6.694 1.00 0.00 C ATOM 1032 CE LYS A 62 8.290 -9.605 -6.196 1.00 0.00 C ATOM 1033 NZ LYS A 62 8.986 -10.869 -6.509 1.00 0.00 N ATOM 0 H LYS A 62 2.693 -7.313 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 62 4.560 -6.147 -5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.343 -8.535 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.761 -8.285 -8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.011 -7.475 -7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.599 -7.619 -5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.193 -10.114 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.772 -9.921 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.858 -8.780 -6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.293 -9.465 -5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.955 -10.835 -6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.474 -11.664 -6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.020 -11.000 -7.540 1.00 0.00 H new ATOM 1047 N GLY A 63 5.609 -4.350 -7.237 1.00 0.00 N ATOM 1048 CA GLY A 63 6.280 -3.270 -7.945 1.00 0.00 C ATOM 1049 C GLY A 63 5.636 -1.909 -7.703 1.00 0.00 C ATOM 1050 O GLY A 63 6.276 -0.898 -7.982 1.00 0.00 O ATOM 0 H GLY A 63 5.481 -4.160 -6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.324 -3.232 -7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.273 -3.484 -9.014 1.00 0.00 H new ATOM 1054 N ASP A 64 4.407 -1.846 -7.179 1.00 0.00 N ATOM 1055 CA ASP A 64 3.752 -0.568 -6.906 1.00 0.00 C ATOM 1056 C ASP A 64 4.185 -0.091 -5.528 1.00 0.00 C ATOM 1057 O ASP A 64 3.961 -0.758 -4.508 1.00 0.00 O ATOM 1058 CB ASP A 64 2.217 -0.666 -6.986 1.00 0.00 C ATOM 1059 CG ASP A 64 1.677 -0.530 -8.411 1.00 0.00 C ATOM 1060 OD1 ASP A 64 2.438 -0.700 -9.389 1.00 0.00 O ATOM 1061 OD2 ASP A 64 0.458 -0.291 -8.563 1.00 0.00 O ATOM 0 H ASP A 64 3.849 -2.665 -6.937 1.00 0.00 H new ATOM 0 HA ASP A 64 4.054 0.148 -7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.899 -1.624 -6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.777 0.112 -6.362 1.00 0.00 H new ATOM 1066 N LEU A 65 4.801 1.086 -5.488 1.00 0.00 N ATOM 1067 CA LEU A 65 4.879 1.887 -4.288 1.00 0.00 C ATOM 1068 C LEU A 65 3.595 2.695 -4.178 1.00 0.00 C ATOM 1069 O LEU A 65 3.048 3.152 -5.183 1.00 0.00 O ATOM 1070 CB LEU A 65 6.104 2.795 -4.384 1.00 0.00 C ATOM 1071 CG LEU A 65 6.212 3.830 -3.255 1.00 0.00 C ATOM 1072 CD1 LEU A 65 6.623 3.122 -1.960 1.00 0.00 C ATOM 1073 CD2 LEU A 65 7.205 4.919 -3.648 1.00 0.00 C ATOM 0 H LEU A 65 5.260 1.507 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 65 4.984 1.267 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.002 2.176 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.080 3.318 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 65 5.248 4.310 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.701 3.853 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.873 2.375 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.587 2.634 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.279 5.651 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.184 4.473 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.863 5.412 -4.558 1.00 0.00 H new ATOM 1085 N VAL A 66 3.161 2.927 -2.947 1.00 0.00 N ATOM 1086 CA VAL A 66 1.993 3.711 -2.619 1.00 0.00 C ATOM 1087 C VAL A 66 2.371 4.681 -1.505 1.00 0.00 C ATOM 1088 O VAL A 66 3.204 4.356 -0.656 1.00 0.00 O ATOM 1089 CB VAL A 66 0.851 2.752 -2.210 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.497 3.483 -2.152 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.725 1.521 -3.132 1.00 0.00 C ATOM 0 H VAL A 66 3.635 2.557 -2.123 1.00 0.00 H new ATOM 0 HA VAL A 66 1.641 4.294 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 66 1.118 2.392 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.279 2.781 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.443 4.289 -1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.728 3.898 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.095 0.891 -2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.527 1.849 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.654 0.952 -3.108 1.00 0.00 H new ATOM 1101 N THR A 67 1.718 5.840 -1.491 1.00 0.00 N ATOM 1102 CA THR A 67 1.609 6.696 -0.329 1.00 0.00 C ATOM 1103 C THR A 67 0.137 7.072 -0.199 1.00 0.00 C ATOM 1104 O THR A 67 -0.408 7.798 -1.043 1.00 0.00 O ATOM 1105 CB THR A 67 2.528 7.919 -0.435 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.889 7.548 -0.574 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.403 8.816 0.810 1.00 0.00 C ATOM 0 H THR A 67 1.240 6.213 -2.312 1.00 0.00 H new ATOM 0 HA THR A 67 1.942 6.178 0.571 1.00 0.00 H new ATOM 0 HB THR A 67 2.209 8.463 -1.324 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.288 7.428 0.313 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.066 9.675 0.707 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.374 9.161 0.908 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.681 8.247 1.697 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.510 6.567 0.849 1.00 0.00 N ATOM 1116 CA PHE A 68 -1.807 7.067 1.276 1.00 0.00 C ATOM 1117 C PHE A 68 -1.581 8.343 2.093 1.00 0.00 C ATOM 1118 O PHE A 68 -0.566 8.443 2.791 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.527 5.995 2.093 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.854 4.765 1.267 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -3.964 4.775 0.399 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -2.034 3.625 1.335 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.262 3.647 -0.387 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.327 2.502 0.543 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.442 2.509 -0.314 1.00 0.00 C ATOM 0 H PHE A 68 -0.149 5.804 1.421 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.437 7.302 0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.904 5.706 2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.448 6.411 2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.589 5.653 0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.180 3.612 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.119 3.656 -1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.693 1.629 0.593 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.667 1.641 -0.915 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.477 9.340 2.003 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.337 10.574 2.750 1.00 0.00 C ATOM 1137 C PRO A 69 -2.936 10.448 4.150 1.00 0.00 C ATOM 1138 O PRO A 69 -3.587 9.470 4.510 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.121 11.598 1.935 1.00 0.00 C ATOM 1140 CG PRO A 69 -4.323 10.763 1.516 1.00 0.00 C ATOM 1141 CD PRO A 69 -3.686 9.404 1.189 1.00 0.00 C ATOM 0 HA PRO A 69 -1.291 10.848 2.889 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.407 12.467 2.527 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.555 11.967 1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.060 10.684 2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.833 11.190 0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.364 8.584 1.427 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.450 9.325 0.128 1.00 0.00 H new ATOM 1149 N LYS A 70 -2.795 11.541 4.885 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.353 11.754 6.204 1.00 0.00 C ATOM 1151 C LYS A 70 -4.858 11.985 6.087 1.00 0.00 C ATOM 1152 O LYS A 70 -5.286 13.123 5.882 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.577 12.911 6.856 1.00 0.00 C ATOM 1154 CG LYS A 70 -3.070 13.256 8.264 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.998 14.021 9.041 1.00 0.00 C ATOM 1156 CE LYS A 70 -2.479 14.144 10.483 1.00 0.00 C ATOM 1157 NZ LYS A 70 -1.463 14.708 11.390 1.00 0.00 N ATOM 0 H LYS A 70 -2.259 12.344 4.556 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.243 10.884 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.520 12.649 6.903 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.658 13.795 6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.977 13.856 8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.330 12.342 8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.044 13.495 8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.838 15.007 8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.369 14.773 10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.774 13.159 10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.851 14.766 12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.622 14.097 11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.199 15.660 11.066 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.638 10.916 6.231 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.092 10.935 6.258 1.00 0.00 C ATOM 1173 C GLY A 71 -7.665 10.402 4.947 1.00 0.00 C ATOM 1174 O GLY A 71 -7.929 11.184 4.026 1.00 0.00 O ATOM 0 H GLY A 71 -5.255 9.976 6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.453 10.331 7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.444 11.953 6.427 1.00 0.00 H new ATOM 1178 N LEU A 72 -7.842 9.080 4.836 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.568 8.440 3.741 1.00 0.00 C ATOM 1180 C LEU A 72 -9.142 7.099 4.210 1.00 0.00 C ATOM 1181 O LEU A 72 -8.457 6.333 4.884 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.612 8.233 2.556 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.320 7.715 1.294 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -9.261 8.763 0.690 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -7.269 7.346 0.254 1.00 0.00 C ATOM 0 H LEU A 72 -7.477 8.416 5.519 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.395 9.076 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.118 9.177 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.833 7.527 2.844 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.917 6.848 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.739 8.353 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.024 9.031 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.690 9.651 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.761 6.977 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.676 8.227 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.617 6.570 0.655 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.363 6.754 3.793 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.122 5.593 4.245 1.00 0.00 C ATOM 1199 C ARG A 73 -11.502 4.764 3.018 1.00 0.00 C ATOM 1200 O ARG A 73 -12.270 5.273 2.201 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.379 6.064 5.008 1.00 0.00 C ATOM 1202 CG ARG A 73 -12.251 7.329 5.867 1.00 0.00 C ATOM 1203 CD ARG A 73 -12.628 8.572 5.067 1.00 0.00 C ATOM 1204 NE ARG A 73 -14.082 8.706 4.964 1.00 0.00 N ATOM 1205 CZ ARG A 73 -14.789 9.827 4.822 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -14.203 11.005 4.616 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -16.111 9.745 4.909 1.00 0.00 N ATOM 0 H ARG A 73 -10.869 7.304 3.099 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.527 4.981 4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.173 6.230 4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.706 5.249 5.655 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.896 7.246 6.742 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -11.228 7.423 6.232 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.210 9.458 5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.193 8.513 4.069 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.618 7.839 5.006 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.186 11.067 4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.771 11.846 4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.556 8.843 5.080 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.682 10.584 4.805 1.00 0.00 H new ATOM 1221 N CYS A 74 -10.920 3.582 2.810 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.088 2.787 1.591 1.00 0.00 C ATOM 1223 C CYS A 74 -11.214 1.298 1.943 1.00 0.00 C ATOM 1224 O CYS A 74 -10.895 0.888 3.060 1.00 0.00 O ATOM 1225 CB CYS A 74 -9.921 3.047 0.624 1.00 0.00 C ATOM 1226 SG CYS A 74 -8.286 2.883 1.396 1.00 0.00 S ATOM 0 H CYS A 74 -10.307 3.142 3.496 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.008 3.087 1.089 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.990 2.350 -0.211 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.019 4.051 0.211 1.00 0.00 H new ATOM 0 HG CYS A 74 -7.363 3.116 0.511 1.00 0.00 H new ATOM 1232 N ARG A 75 -11.649 0.453 1.001 1.00 0.00 N ATOM 1233 CA ARG A 75 -11.677 -0.993 1.221 1.00 0.00 C ATOM 1234 C ARG A 75 -10.320 -1.579 0.903 1.00 0.00 C ATOM 1235 O ARG A 75 -9.570 -0.962 0.155 1.00 0.00 O ATOM 1236 CB ARG A 75 -12.734 -1.610 0.311 1.00 0.00 C ATOM 1237 CG ARG A 75 -14.047 -1.916 1.027 1.00 0.00 C ATOM 1238 CD ARG A 75 -14.708 -0.681 1.642 1.00 0.00 C ATOM 1239 NE ARG A 75 -14.994 0.410 0.689 1.00 0.00 N ATOM 1240 CZ ARG A 75 -15.890 0.446 -0.305 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -16.670 -0.603 -0.543 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -15.951 1.536 -1.061 1.00 0.00 N ATOM 0 H ARG A 75 -11.985 0.746 0.084 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.920 -1.206 2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.931 -0.930 -0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.340 -2.531 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.739 -2.375 0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.861 -2.648 1.813 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.642 -0.984 2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.061 -0.295 2.430 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.431 1.253 0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.588 -1.441 0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.351 -0.570 -1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.324 2.320 -0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.625 1.590 -1.825 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.041 -2.793 1.382 1.00 0.00 N ATOM 1257 CA TRP A 76 -8.901 -3.611 0.997 1.00 0.00 C ATOM 1258 C TRP A 76 -9.419 -5.014 0.697 1.00 0.00 C ATOM 1259 O TRP A 76 -9.837 -5.708 1.621 1.00 0.00 O ATOM 1260 CB TRP A 76 -7.749 -3.707 2.016 1.00 0.00 C ATOM 1261 CG TRP A 76 -6.766 -2.576 1.985 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -7.042 -1.251 1.961 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.321 -2.674 1.806 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.898 -0.547 1.660 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.823 -1.386 1.470 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.387 -3.732 1.828 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.505 -1.182 1.039 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.046 -3.533 1.448 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.613 -2.268 1.016 1.00 0.00 C ATOM 0 H TRP A 76 -10.632 -3.248 2.078 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.457 -3.114 0.134 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.176 -3.767 3.017 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.210 -4.639 1.843 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.011 -0.813 2.149 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.852 0.469 1.587 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.708 -4.714 2.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -3.178 -0.201 0.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -2.348 -4.356 1.489 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.600 -2.131 0.668 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.409 -5.439 -0.565 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.769 -6.796 -0.962 1.00 0.00 C ATOM 1282 C LYS A 77 -8.467 -7.528 -1.228 1.00 0.00 C ATOM 1283 O LYS A 77 -7.803 -7.224 -2.215 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.720 -6.722 -2.164 1.00 0.00 C ATOM 1285 CG LYS A 77 -11.369 -8.053 -2.558 1.00 0.00 C ATOM 1286 CD LYS A 77 -12.342 -7.815 -3.724 1.00 0.00 C ATOM 1287 CE LYS A 77 -13.278 -9.009 -3.954 1.00 0.00 C ATOM 1288 NZ LYS A 77 -14.556 -8.881 -3.215 1.00 0.00 N ATOM 0 H LYS A 77 -9.147 -4.842 -1.349 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.311 -7.350 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.508 -6.003 -1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.169 -6.336 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.604 -8.773 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.900 -8.479 -1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.936 -6.924 -3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.774 -7.620 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.487 -9.103 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.775 -9.925 -3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.336 -9.231 -3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.508 -9.440 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.722 -7.882 -2.979 1.00 0.00 H new ATOM 1302 N VAL A 78 -8.036 -8.388 -0.313 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.776 -9.106 -0.391 1.00 0.00 C ATOM 1304 C VAL A 78 -7.053 -10.310 -1.284 1.00 0.00 C ATOM 1305 O VAL A 78 -7.692 -11.282 -0.878 1.00 0.00 O ATOM 1306 CB VAL A 78 -6.268 -9.497 1.014 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.760 -9.767 0.976 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -6.568 -8.423 2.084 1.00 0.00 C ATOM 0 H VAL A 78 -8.571 -8.609 0.527 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.976 -8.496 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.808 -10.401 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.414 -10.042 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.554 -10.583 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.238 -8.869 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.187 -8.755 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.084 -7.487 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.645 -8.268 2.152 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.667 -10.207 -2.550 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.990 -11.238 -3.530 1.00 0.00 C ATOM 1320 C LEU A 79 -5.924 -12.309 -3.556 1.00 0.00 C ATOM 1321 O LEU A 79 -6.173 -13.363 -4.131 1.00 0.00 O ATOM 1322 CB LEU A 79 -7.156 -10.633 -4.920 1.00 0.00 C ATOM 1323 CG LEU A 79 -8.330 -9.635 -4.940 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -8.257 -8.769 -6.184 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.681 -10.362 -4.886 1.00 0.00 C ATOM 0 H LEU A 79 -6.131 -9.423 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.935 -11.694 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.237 -10.127 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.332 -11.424 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.250 -9.004 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.091 -8.067 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.318 -8.216 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.310 -9.401 -7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.489 -9.630 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.773 -11.023 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.742 -10.950 -3.970 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.778 -12.060 -2.933 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.806 -13.039 -2.486 1.00 0.00 C ATOM 1339 C GLU A 80 -3.113 -12.446 -1.268 1.00 0.00 C ATOM 1340 O GLU A 80 -3.029 -11.217 -1.192 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.762 -13.277 -3.589 1.00 0.00 C ATOM 1342 CG GLU A 80 -3.150 -14.368 -4.585 1.00 0.00 C ATOM 1343 CD GLU A 80 -3.153 -15.749 -3.933 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -4.183 -16.132 -3.334 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -2.112 -16.432 -3.952 1.00 0.00 O ATOM 0 H GLU A 80 -4.489 -11.107 -2.715 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.290 -13.987 -2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.602 -12.345 -4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.812 -13.544 -3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.138 -14.155 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.452 -14.362 -5.422 1.00 0.00 H new ATOM 1352 N PRO A 81 -2.573 -13.268 -0.349 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.848 -12.747 0.795 1.00 0.00 C ATOM 1354 C PRO A 81 -0.700 -11.883 0.277 1.00 0.00 C ATOM 1355 O PRO A 81 -0.075 -12.220 -0.736 1.00 0.00 O ATOM 1356 CB PRO A 81 -1.389 -13.965 1.601 1.00 0.00 C ATOM 1357 CG PRO A 81 -1.343 -15.089 0.569 1.00 0.00 C ATOM 1358 CD PRO A 81 -2.445 -14.716 -0.422 1.00 0.00 C ATOM 0 HA PRO A 81 -2.446 -12.109 1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.412 -13.799 2.055 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.082 -14.193 2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.369 -15.146 0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.528 -16.061 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.187 -15.035 -1.432 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.384 -15.205 -0.164 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.473 -10.749 0.935 1.00 0.00 N ATOM 1367 CA VAL A 82 0.412 -9.698 0.454 1.00 0.00 C ATOM 1368 C VAL A 82 1.444 -9.408 1.532 1.00 0.00 C ATOM 1369 O VAL A 82 1.160 -9.594 2.720 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.431 -8.463 0.046 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -0.900 -7.647 1.260 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.291 -7.494 -0.898 1.00 0.00 C ATOM 0 H VAL A 82 -0.907 -10.533 1.832 1.00 0.00 H new ATOM 0 HA VAL A 82 0.956 -10.004 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.280 -8.901 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.486 -6.793 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.514 -8.275 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.033 -7.293 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.367 -6.658 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.193 -7.120 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.561 -8.015 -1.817 1.00 0.00 H new ATOM 1382 N ARG A 83 2.593 -8.870 1.126 1.00 0.00 N ATOM 1383 CA ARG A 83 3.635 -8.392 2.015 1.00 0.00 C ATOM 1384 C ARG A 83 4.007 -6.991 1.558 1.00 0.00 C ATOM 1385 O ARG A 83 4.443 -6.811 0.418 1.00 0.00 O ATOM 1386 CB ARG A 83 4.818 -9.377 2.007 1.00 0.00 C ATOM 1387 CG ARG A 83 5.164 -9.873 3.415 1.00 0.00 C ATOM 1388 CD ARG A 83 6.253 -10.938 3.308 1.00 0.00 C ATOM 1389 NE ARG A 83 6.683 -11.401 4.636 1.00 0.00 N ATOM 1390 CZ ARG A 83 6.894 -12.671 4.997 1.00 0.00 C ATOM 1391 NH1 ARG A 83 6.648 -13.688 4.177 1.00 0.00 N ATOM 1392 NH2 ARG A 83 7.362 -12.928 6.208 1.00 0.00 N ATOM 0 H ARG A 83 2.825 -8.754 0.140 1.00 0.00 H new ATOM 0 HA ARG A 83 3.302 -8.338 3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.575 -10.229 1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.690 -8.892 1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.507 -9.044 4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.278 -10.286 3.898 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.882 -11.783 2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.109 -10.533 2.768 1.00 0.00 H new ATOM 0 HE ARG A 83 6.834 -10.687 5.348 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.287 -13.511 3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.821 -14.645 4.485 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.557 -12.162 6.853 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.528 -13.892 6.497 1.00 0.00 H new ATOM 1406 N LYS A 84 3.786 -5.989 2.414 1.00 0.00 N ATOM 1407 CA LYS A 84 4.136 -4.603 2.134 1.00 0.00 C ATOM 1408 C LYS A 84 4.928 -3.961 3.274 1.00 0.00 C ATOM 1409 O LYS A 84 4.426 -3.796 4.384 1.00 0.00 O ATOM 1410 CB LYS A 84 2.919 -3.817 1.621 1.00 0.00 C ATOM 1411 CG LYS A 84 1.528 -4.086 2.219 1.00 0.00 C ATOM 1412 CD LYS A 84 1.268 -3.534 3.619 1.00 0.00 C ATOM 1413 CE LYS A 84 0.811 -2.080 3.569 1.00 0.00 C ATOM 1414 NZ LYS A 84 0.214 -1.634 4.844 1.00 0.00 N ATOM 0 H LYS A 84 3.355 -6.124 3.328 1.00 0.00 H new ATOM 0 HA LYS A 84 4.843 -4.575 1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.134 -2.758 1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.850 -3.989 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.780 -3.669 1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.370 -5.164 2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.508 -4.139 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.176 -3.611 4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.661 -1.443 3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.082 -1.958 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.081 -0.640 4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.614 -2.223 5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.916 -1.724 5.606 1.00 0.00 H new ATOM 1428 N HIS A 85 6.176 -3.588 2.987 1.00 0.00 N ATOM 1429 CA HIS A 85 6.996 -2.785 3.886 1.00 0.00 C ATOM 1430 C HIS A 85 6.329 -1.418 3.951 1.00 0.00 C ATOM 1431 O HIS A 85 6.215 -0.773 2.903 1.00 0.00 O ATOM 1432 CB HIS A 85 8.437 -2.640 3.359 1.00 0.00 C ATOM 1433 CG HIS A 85 9.360 -3.768 3.762 1.00 0.00 C ATOM 1434 ND1 HIS A 85 9.893 -4.755 2.958 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.884 -3.937 5.015 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.712 -5.499 3.721 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.761 -5.026 4.971 1.00 0.00 N ATOM 0 H HIS A 85 6.647 -3.838 2.117 1.00 0.00 H new ATOM 0 HA HIS A 85 7.066 -3.257 4.866 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.410 -2.579 2.271 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.852 -1.699 3.721 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.660 -3.336 5.884 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.257 -6.363 3.371 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.326 -5.388 5.740 1.00 0.00 H new ATOM 1445 N TYR A 86 5.903 -0.964 5.128 1.00 0.00 N ATOM 1446 CA TYR A 86 5.207 0.310 5.304 1.00 0.00 C ATOM 1447 C TYR A 86 5.989 1.233 6.233 1.00 0.00 C ATOM 1448 O TYR A 86 6.862 0.768 6.960 1.00 0.00 O ATOM 1449 CB TYR A 86 3.797 0.078 5.859 1.00 0.00 C ATOM 1450 CG TYR A 86 3.761 -0.347 7.316 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.972 -1.693 7.676 1.00 0.00 C ATOM 1452 CD2 TYR A 86 3.500 0.612 8.317 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.948 -2.071 9.030 1.00 0.00 C ATOM 1454 CE2 TYR A 86 3.493 0.243 9.670 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.734 -1.099 10.032 1.00 0.00 C ATOM 1456 OH TYR A 86 3.769 -1.458 11.342 1.00 0.00 O ATOM 0 H TYR A 86 6.033 -1.478 5.999 1.00 0.00 H new ATOM 0 HA TYR A 86 5.128 0.789 4.328 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.219 0.995 5.746 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.304 -0.686 5.258 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.152 -2.434 6.912 1.00 0.00 H new ATOM 0 HD2 TYR A 86 3.304 1.637 8.040 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.093 -3.105 9.304 1.00 0.00 H new ATOM 0 HE2 TYR A 86 3.304 0.984 10.433 1.00 0.00 H new ATOM 0 HH TYR A 86 3.603 -0.671 11.901 1.00 0.00 H new ATOM 1466 N ASN A 87 5.660 2.525 6.256 1.00 0.00 N ATOM 1467 CA ASN A 87 6.055 3.407 7.344 1.00 0.00 C ATOM 1468 C ASN A 87 5.044 4.541 7.474 1.00 0.00 C ATOM 1469 O ASN A 87 4.754 5.212 6.481 1.00 0.00 O ATOM 1470 CB ASN A 87 7.462 3.975 7.113 1.00 0.00 C ATOM 1471 CG ASN A 87 8.196 4.280 8.417 1.00 0.00 C ATOM 1472 OD1 ASN A 87 7.879 3.777 9.501 1.00 0.00 O ATOM 1473 ND2 ASN A 87 9.220 5.111 8.335 1.00 0.00 N ATOM 0 H ASN A 87 5.116 2.983 5.525 1.00 0.00 H new ATOM 0 HA ASN A 87 6.075 2.830 8.268 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.046 3.262 6.530 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.388 4.887 6.520 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.757 5.343 9.171 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.474 5.521 7.436 1.00 0.00 H new ATOM 1480 N LEU A 88 4.491 4.728 8.672 1.00 0.00 N ATOM 1481 CA LEU A 88 3.596 5.830 9.028 1.00 0.00 C ATOM 1482 C LEU A 88 4.423 7.116 9.160 1.00 0.00 C ATOM 1483 O LEU A 88 5.587 7.033 9.574 1.00 0.00 O ATOM 1484 CB LEU A 88 2.906 5.531 10.376 1.00 0.00 C ATOM 1485 CG LEU A 88 2.238 4.144 10.514 1.00 0.00 C ATOM 1486 CD1 LEU A 88 1.772 3.942 11.959 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.048 3.912 9.585 1.00 0.00 C ATOM 0 H LEU A 88 4.660 4.092 9.451 1.00 0.00 H new ATOM 0 HA LEU A 88 2.837 5.947 8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.647 5.634 11.169 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.147 6.294 10.548 1.00 0.00 H new ATOM 0 HG LEU A 88 3.003 3.423 10.225 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.301 2.964 12.056 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.630 4.000 12.629 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.053 4.718 12.221 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.645 2.913 9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.276 4.654 9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.373 4.003 8.548 1.00 0.00 H new ATOM 1499 N PHE A 89 3.847 8.283 8.847 1.00 0.00 N ATOM 1500 CA PHE A 89 4.449 9.611 8.963 1.00 0.00 C ATOM 1501 C PHE A 89 3.390 10.684 8.685 1.00 0.00 C ATOM 1502 O PHE A 89 3.740 11.768 8.168 1.00 0.00 O ATOM 1503 CB PHE A 89 5.674 9.767 8.036 1.00 0.00 C ATOM 1504 CG PHE A 89 5.409 9.821 6.539 1.00 0.00 C ATOM 1505 CD1 PHE A 89 4.798 8.747 5.865 1.00 0.00 C ATOM 1506 CD2 PHE A 89 5.802 10.956 5.805 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.555 8.828 4.484 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.619 11.006 4.413 1.00 0.00 C ATOM 1509 CZ PHE A 89 4.985 9.944 3.750 1.00 0.00 C ATOM 0 H PHE A 89 2.894 8.325 8.486 1.00 0.00 H new ATOM 0 HA PHE A 89 4.815 9.738 9.982 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.199 10.679 8.320 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.352 8.936 8.229 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.515 7.859 6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.248 11.796 6.317 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.033 8.026 3.983 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.966 11.862 3.853 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.829 9.985 2.682 1.00 0.00 H new