USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 799 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 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 SER OG : rot -110:sc= -0.77 USER MOD Set 2.1: A 37 SER OG : rot 121:sc= 0.535 USER MOD Set 2.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -177:sc= 0.776 (180deg=0.747) USER MOD Single : A 11 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.3) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -170:sc= -3.15 (180deg=-3.73!) USER MOD Single : A 15 MET CE :methyl -155:sc= -0.142 (180deg=-1.62) USER MOD Single : A 16 LYS NZ :NH3+ -137:sc= 0.367 (180deg=0.154) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.32 K(o=-2.3,f=-6.6!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.726! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -2.5! C(o=-3.3!,f=-2.5!) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.0143 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -131:sc= 1.04 (180deg=-2.96!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot -130:sc= -1.34 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -124:sc= -0.154 (180deg=-0.649) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= -0.118 (180deg=-0.478) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 96 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 100 SER OG : rot 81:sc= 1.2 USER MOD Single : A 101 THR OG1 : rot 66:sc= 0.594 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -1.05 F(o=-2.8!,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -11.632 8.857 -2.035 1.00 0.00 N ATOM 67 CA VAL A 8 -10.308 8.714 -1.443 1.00 0.00 C ATOM 68 C VAL A 8 -10.323 9.091 0.035 1.00 0.00 C ATOM 69 O VAL A 8 -10.719 10.198 0.400 1.00 0.00 O ATOM 70 CB VAL A 8 -9.269 9.586 -2.173 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.727 11.035 -2.220 1.00 0.00 C ATOM 72 CG2 VAL A 8 -7.909 9.469 -1.501 1.00 0.00 C ATOM 0 HA VAL A 8 -10.028 7.666 -1.545 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.174 9.227 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.980 11.636 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.677 11.099 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.852 11.410 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.187 10.091 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.985 9.801 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.579 8.430 -1.526 1.00 0.00 H new ATOM 82 N LEU A 9 -9.889 8.163 0.881 1.00 0.00 N ATOM 83 CA LEU A 9 -9.851 8.398 2.320 1.00 0.00 C ATOM 84 C LEU A 9 -8.636 9.236 2.704 1.00 0.00 C ATOM 85 O LEU A 9 -8.742 10.181 3.485 1.00 0.00 O ATOM 86 CB LEU A 9 -9.825 7.066 3.073 1.00 0.00 C ATOM 87 CG LEU A 9 -10.815 6.005 2.594 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.580 4.689 3.320 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.246 6.480 2.796 1.00 0.00 C ATOM 0 H LEU A 9 -9.559 7.241 0.595 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.750 8.948 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.819 6.653 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.017 7.264 4.127 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.655 5.842 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.294 3.946 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.566 4.341 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.711 4.836 4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.937 5.712 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.419 6.673 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.409 7.397 2.229 1.00 0.00 H new ATOM 101 N LYS A 10 -7.482 8.885 2.147 1.00 0.00 N ATOM 102 CA LYS A 10 -6.246 9.606 2.427 1.00 0.00 C ATOM 103 C LYS A 10 -5.540 9.999 1.133 1.00 0.00 C ATOM 104 O LYS A 10 -5.733 9.367 0.094 1.00 0.00 O ATOM 105 CB LYS A 10 -5.315 8.750 3.288 1.00 0.00 C ATOM 106 CG LYS A 10 -4.432 9.560 4.221 1.00 0.00 C ATOM 107 CD LYS A 10 -3.368 8.695 4.874 1.00 0.00 C ATOM 108 CE LYS A 10 -2.536 9.490 5.869 1.00 0.00 C ATOM 109 NZ LYS A 10 -1.875 10.660 5.228 1.00 0.00 N ATOM 0 H LYS A 10 -7.377 8.105 1.498 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.501 10.515 2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.915 8.058 3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.683 8.147 2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.955 10.366 3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.046 10.026 4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.842 7.856 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.717 8.276 4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.174 9.834 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.779 8.841 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.277 11.147 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.286 10.335 4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.599 11.317 4.874 1.00 0.00 H new ATOM 123 N GLN A 11 -4.721 11.043 1.204 1.00 0.00 N ATOM 124 CA GLN A 11 -3.986 11.518 0.038 1.00 0.00 C ATOM 125 C GLN A 11 -2.768 12.334 0.457 1.00 0.00 C ATOM 126 O GLN A 11 -2.855 13.192 1.334 1.00 0.00 O ATOM 127 CB GLN A 11 -4.897 12.362 -0.856 1.00 0.00 C ATOM 128 CG GLN A 11 -5.466 13.588 -0.161 1.00 0.00 C ATOM 129 CD GLN A 11 -6.219 14.499 -1.109 1.00 0.00 C ATOM 130 OE1 GLN A 11 -5.917 15.688 -1.217 1.00 0.00 O ATOM 131 NE2 GLN A 11 -7.207 13.946 -1.803 1.00 0.00 N ATOM 0 H GLN A 11 -4.550 11.576 2.057 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.642 10.648 -0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.336 12.680 -1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.720 11.741 -1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.135 13.270 0.639 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.654 14.146 0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.423 12.957 -1.682 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.749 14.511 -2.457 1.00 0.00 H new ATOM 140 N GLY A 12 -1.631 12.060 -0.176 1.00 0.00 N ATOM 141 CA GLY A 12 -0.411 12.777 0.145 1.00 0.00 C ATOM 142 C GLY A 12 0.781 12.277 -0.647 1.00 0.00 C ATOM 143 O GLY A 12 0.868 11.092 -0.970 1.00 0.00 O ATOM 0 H GLY A 12 -1.533 11.354 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.555 13.839 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.204 12.676 1.210 1.00 0.00 H new ATOM 147 N TYR A 13 1.701 13.182 -0.962 1.00 0.00 N ATOM 148 CA TYR A 13 2.892 12.828 -1.725 1.00 0.00 C ATOM 149 C TYR A 13 3.775 11.863 -0.939 1.00 0.00 C ATOM 150 O TYR A 13 4.359 12.230 0.080 1.00 0.00 O ATOM 151 CB TYR A 13 3.685 14.085 -2.085 1.00 0.00 C ATOM 152 CG TYR A 13 3.197 14.769 -3.342 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.172 14.098 -4.558 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.759 16.088 -3.313 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.727 14.719 -5.708 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.311 16.717 -4.459 1.00 0.00 C ATOM 157 CZ TYR A 13 2.298 16.029 -5.654 1.00 0.00 C ATOM 158 OH TYR A 13 1.853 16.651 -6.797 1.00 0.00 O ATOM 0 H TYR A 13 1.645 14.166 -0.701 1.00 0.00 H new ATOM 0 HA TYR A 13 2.572 12.334 -2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.631 14.789 -1.254 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.735 13.819 -2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.507 13.072 -4.605 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.769 16.630 -2.379 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.715 14.182 -6.645 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.973 17.742 -4.419 1.00 0.00 H new ATOM 0 HH TYR A 13 1.586 17.570 -6.587 1.00 0.00 H new ATOM 168 N MET A 14 3.868 10.629 -1.422 1.00 0.00 N ATOM 169 CA MET A 14 4.681 9.611 -0.767 1.00 0.00 C ATOM 170 C MET A 14 5.832 9.173 -1.667 1.00 0.00 C ATOM 171 O MET A 14 5.816 9.415 -2.873 1.00 0.00 O ATOM 172 CB MET A 14 3.821 8.402 -0.394 1.00 0.00 C ATOM 173 CG MET A 14 2.699 8.731 0.578 1.00 0.00 C ATOM 174 SD MET A 14 2.312 7.359 1.682 1.00 0.00 S ATOM 175 CE MET A 14 1.257 6.366 0.630 1.00 0.00 C ATOM 0 H MET A 14 3.390 10.309 -2.265 1.00 0.00 H new ATOM 0 HA MET A 14 5.098 10.044 0.142 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.392 7.978 -1.302 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.458 7.635 0.046 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.981 9.601 1.171 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.805 9.004 0.017 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.793 5.577 1.221 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.482 6.996 0.194 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.853 5.920 -0.166 1.00 0.00 H new ATOM 185 N MET A 15 6.829 8.526 -1.072 1.00 0.00 N ATOM 186 CA MET A 15 7.988 8.054 -1.822 1.00 0.00 C ATOM 187 C MET A 15 8.009 6.530 -1.885 1.00 0.00 C ATOM 188 O MET A 15 8.211 5.858 -0.873 1.00 0.00 O ATOM 189 CB MET A 15 9.280 8.567 -1.183 1.00 0.00 C ATOM 190 CG MET A 15 9.425 10.079 -1.237 1.00 0.00 C ATOM 191 SD MET A 15 11.133 10.621 -1.033 1.00 0.00 S ATOM 192 CE MET A 15 11.715 10.548 -2.725 1.00 0.00 C ATOM 0 H MET A 15 6.858 8.317 -0.074 1.00 0.00 H new ATOM 0 HA MET A 15 7.915 8.442 -2.838 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.315 8.244 -0.143 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.132 8.110 -1.687 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.044 10.443 -2.191 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.810 10.527 -0.457 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.797 10.413 -2.732 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.242 9.710 -3.237 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.461 11.476 -3.237 1.00 0.00 H new ATOM 202 N LYS A 16 7.799 5.989 -3.081 1.00 0.00 N ATOM 203 CA LYS A 16 7.795 4.544 -3.277 1.00 0.00 C ATOM 204 C LYS A 16 9.112 4.074 -3.887 1.00 0.00 C ATOM 205 O LYS A 16 9.648 4.708 -4.797 1.00 0.00 O ATOM 206 CB LYS A 16 6.628 4.135 -4.179 1.00 0.00 C ATOM 207 CG LYS A 16 6.657 2.671 -4.584 1.00 0.00 C ATOM 208 CD LYS A 16 6.044 2.461 -5.958 1.00 0.00 C ATOM 209 CE LYS A 16 4.524 2.482 -5.900 1.00 0.00 C ATOM 210 NZ LYS A 16 3.914 2.119 -7.209 1.00 0.00 N ATOM 0 H LYS A 16 7.629 6.530 -3.929 1.00 0.00 H new ATOM 0 HA LYS A 16 7.677 4.070 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.691 4.342 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.640 4.752 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.687 2.313 -4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.114 2.078 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.394 3.239 -6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.380 1.508 -6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.180 1.787 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.186 3.475 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.120 2.759 -7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.628 2.205 -7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.568 1.139 -7.171 1.00 0.00 H new ATOM 224 N LYS A 17 9.628 2.959 -3.383 1.00 0.00 N ATOM 225 CA LYS A 17 10.880 2.402 -3.879 1.00 0.00 C ATOM 226 C LYS A 17 10.656 1.628 -5.175 1.00 0.00 C ATOM 227 O LYS A 17 10.173 0.497 -5.158 1.00 0.00 O ATOM 228 CB LYS A 17 11.507 1.484 -2.827 1.00 0.00 C ATOM 229 CG LYS A 17 13.020 1.391 -2.924 1.00 0.00 C ATOM 230 CD LYS A 17 13.628 0.837 -1.646 1.00 0.00 C ATOM 231 CE LYS A 17 15.131 1.062 -1.601 1.00 0.00 C ATOM 232 NZ LYS A 17 15.859 0.130 -2.506 1.00 0.00 N ATOM 0 H LYS A 17 9.198 2.422 -2.630 1.00 0.00 H new ATOM 0 HA LYS A 17 11.560 3.229 -4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.237 1.845 -1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.083 0.485 -2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.293 0.753 -3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.434 2.379 -3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.162 1.314 -0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.416 -0.230 -1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.353 2.091 -1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.488 0.929 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.881 0.315 -2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.668 -0.852 -2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.537 0.274 -3.484 1.00 0.00 H new ATOM 355 N TRP A 24 14.517 6.818 -4.462 1.00 0.00 N ATOM 356 CA TRP A 24 13.081 6.939 -4.232 1.00 0.00 C ATOM 357 C TRP A 24 12.472 8.001 -5.141 1.00 0.00 C ATOM 358 O TRP A 24 13.188 8.792 -5.756 1.00 0.00 O ATOM 359 CB TRP A 24 12.807 7.285 -2.767 1.00 0.00 C ATOM 360 CG TRP A 24 13.214 6.202 -1.815 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.481 5.915 -1.394 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.351 5.261 -1.167 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.458 4.852 -0.523 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.163 4.434 -0.366 1.00 0.00 C ATOM 365 CE3 TRP A 24 10.972 5.039 -1.183 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.639 3.402 0.408 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.454 4.014 -0.414 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.285 3.206 0.373 1.00 0.00 C ATOM 0 HA TRP A 24 12.618 5.980 -4.465 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.339 8.202 -2.512 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.743 7.488 -2.642 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.370 6.445 -1.700 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.273 4.441 -0.067 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.322 5.657 -1.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.279 2.778 1.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.389 3.833 -0.420 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.849 2.414 0.963 1.00 0.00 H new ATOM 379 N THR A 25 11.145 8.014 -5.222 1.00 0.00 N ATOM 380 CA THR A 25 10.440 8.979 -6.056 1.00 0.00 C ATOM 381 C THR A 25 9.090 9.345 -5.452 1.00 0.00 C ATOM 382 O THR A 25 8.357 8.478 -4.976 1.00 0.00 O ATOM 383 CB THR A 25 10.222 8.435 -7.481 1.00 0.00 C ATOM 384 OG1 THR A 25 9.540 9.410 -8.278 1.00 0.00 O ATOM 385 CG2 THR A 25 9.417 7.145 -7.450 1.00 0.00 C ATOM 0 H THR A 25 10.537 7.367 -4.720 1.00 0.00 H new ATOM 0 HA THR A 25 11.065 9.870 -6.106 1.00 0.00 H new ATOM 0 HB THR A 25 11.197 8.225 -7.920 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.407 9.058 -9.183 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.276 6.780 -8.467 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.952 6.396 -6.867 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.445 7.333 -6.994 1.00 0.00 H new ATOM 393 N GLU A 26 8.766 10.634 -5.475 1.00 0.00 N ATOM 394 CA GLU A 26 7.502 11.114 -4.929 1.00 0.00 C ATOM 395 C GLU A 26 6.352 10.835 -5.892 1.00 0.00 C ATOM 396 O GLU A 26 6.507 10.945 -7.108 1.00 0.00 O ATOM 397 CB GLU A 26 7.584 12.614 -4.636 1.00 0.00 C ATOM 398 CG GLU A 26 6.519 13.104 -3.669 1.00 0.00 C ATOM 399 CD GLU A 26 6.932 14.367 -2.938 1.00 0.00 C ATOM 400 OE1 GLU A 26 8.045 14.387 -2.372 1.00 0.00 O ATOM 401 OE2 GLU A 26 6.143 15.334 -2.931 1.00 0.00 O ATOM 0 H GLU A 26 9.361 11.364 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 26 7.312 10.579 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.568 12.842 -4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.493 13.164 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.595 13.291 -4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.306 12.321 -2.942 1.00 0.00 H new ATOM 408 N ARG A 27 5.199 10.473 -5.339 1.00 0.00 N ATOM 409 CA ARG A 27 4.023 10.175 -6.148 1.00 0.00 C ATOM 410 C ARG A 27 2.746 10.333 -5.329 1.00 0.00 C ATOM 411 O ARG A 27 2.680 9.909 -4.175 1.00 0.00 O ATOM 412 CB ARG A 27 4.110 8.755 -6.709 1.00 0.00 C ATOM 413 CG ARG A 27 4.788 8.677 -8.067 1.00 0.00 C ATOM 414 CD ARG A 27 4.243 7.525 -8.897 1.00 0.00 C ATOM 415 NE ARG A 27 4.955 6.278 -8.637 1.00 0.00 N ATOM 416 CZ ARG A 27 6.085 5.936 -9.246 1.00 0.00 C ATOM 417 NH1 ARG A 27 6.628 6.745 -10.145 1.00 0.00 N ATOM 418 NH2 ARG A 27 6.675 4.783 -8.955 1.00 0.00 N ATOM 0 H ARG A 27 5.054 10.379 -4.334 1.00 0.00 H new ATOM 0 HA ARG A 27 3.993 10.884 -6.976 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.655 8.128 -6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.104 8.343 -6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.640 9.615 -8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.862 8.553 -7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.184 7.390 -8.678 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.321 7.773 -9.956 1.00 0.00 H new ATOM 0 HE ARG A 27 4.564 5.634 -7.950 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.178 7.632 -10.370 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.496 6.480 -10.611 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.261 4.158 -8.263 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.543 4.522 -9.423 1.00 0.00 H new ATOM 432 N TRP A 28 1.734 10.946 -5.933 1.00 0.00 N ATOM 433 CA TRP A 28 0.458 11.160 -5.259 1.00 0.00 C ATOM 434 C TRP A 28 -0.256 9.836 -5.011 1.00 0.00 C ATOM 435 O TRP A 28 -0.654 9.149 -5.952 1.00 0.00 O ATOM 436 CB TRP A 28 -0.432 12.086 -6.090 1.00 0.00 C ATOM 437 CG TRP A 28 -1.618 12.604 -5.334 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.933 12.341 -5.593 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.596 13.477 -4.199 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.730 12.998 -4.686 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.935 13.700 -3.820 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.577 14.089 -3.465 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -3.277 14.510 -2.741 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.919 14.893 -2.394 1.00 0.00 C ATOM 445 CH2 TRP A 28 -2.259 15.097 -2.040 1.00 0.00 C ATOM 0 H TRP A 28 1.772 11.303 -6.888 1.00 0.00 H new ATOM 0 HA TRP A 28 0.659 11.629 -4.296 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.162 12.929 -6.443 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.779 11.549 -6.973 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.293 11.710 -6.392 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.749 12.967 -4.662 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.459 13.937 -3.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.309 14.670 -2.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.140 15.372 -1.820 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.493 15.730 -1.197 1.00 0.00 H new ATOM 456 N PHE A 29 -0.415 9.482 -3.740 1.00 0.00 N ATOM 457 CA PHE A 29 -1.080 8.239 -3.369 1.00 0.00 C ATOM 458 C PHE A 29 -2.526 8.499 -2.955 1.00 0.00 C ATOM 459 O PHE A 29 -2.791 9.285 -2.045 1.00 0.00 O ATOM 460 CB PHE A 29 -0.327 7.552 -2.229 1.00 0.00 C ATOM 461 CG PHE A 29 0.757 6.625 -2.699 1.00 0.00 C ATOM 462 CD1 PHE A 29 2.016 7.112 -3.012 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.517 5.267 -2.829 1.00 0.00 C ATOM 464 CE1 PHE A 29 3.016 6.261 -3.445 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.513 4.411 -3.261 1.00 0.00 C ATOM 466 CZ PHE A 29 2.763 4.909 -3.571 1.00 0.00 C ATOM 0 H PHE A 29 -0.092 10.039 -2.949 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.081 7.583 -4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.111 8.313 -1.583 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.037 6.990 -1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.218 8.169 -2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.459 4.872 -2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.994 6.653 -3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.314 3.354 -3.356 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.542 4.242 -3.911 1.00 0.00 H new ATOM 476 N VAL A 30 -3.458 7.833 -3.630 1.00 0.00 N ATOM 477 CA VAL A 30 -4.876 7.991 -3.333 1.00 0.00 C ATOM 478 C VAL A 30 -5.442 6.737 -2.675 1.00 0.00 C ATOM 479 O VAL A 30 -5.815 5.780 -3.355 1.00 0.00 O ATOM 480 CB VAL A 30 -5.686 8.299 -4.606 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.173 8.360 -4.292 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.212 9.599 -5.237 1.00 0.00 C ATOM 0 H VAL A 30 -3.256 7.179 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.963 8.831 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.524 7.494 -5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.729 8.579 -5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.499 7.401 -3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.358 9.144 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.795 9.801 -6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.343 10.416 -4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.158 9.512 -5.501 1.00 0.00 H new ATOM 492 N LEU A 31 -5.504 6.749 -1.348 1.00 0.00 N ATOM 493 CA LEU A 31 -6.026 5.613 -0.596 1.00 0.00 C ATOM 494 C LEU A 31 -7.540 5.507 -0.751 1.00 0.00 C ATOM 495 O LEU A 31 -8.285 6.361 -0.273 1.00 0.00 O ATOM 496 CB LEU A 31 -5.661 5.745 0.884 1.00 0.00 C ATOM 497 CG LEU A 31 -6.290 4.716 1.824 1.00 0.00 C ATOM 498 CD1 LEU A 31 -5.901 3.306 1.410 1.00 0.00 C ATOM 499 CD2 LEU A 31 -5.876 4.986 3.263 1.00 0.00 C ATOM 0 H LEU A 31 -5.199 7.533 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.574 4.705 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.577 5.679 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.950 6.740 1.222 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.374 4.805 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.358 2.588 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.249 3.116 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.817 3.202 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.333 4.244 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.791 4.925 3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.207 5.982 3.556 1.00 0.00 H new ATOM 511 N LYS A 32 -7.988 4.450 -1.420 1.00 0.00 N ATOM 512 CA LYS A 32 -9.413 4.228 -1.636 1.00 0.00 C ATOM 513 C LYS A 32 -9.979 3.272 -0.590 1.00 0.00 C ATOM 514 O LYS A 32 -9.245 2.562 0.098 1.00 0.00 O ATOM 515 CB LYS A 32 -9.656 3.668 -3.039 1.00 0.00 C ATOM 516 CG LYS A 32 -9.853 4.740 -4.096 1.00 0.00 C ATOM 517 CD LYS A 32 -11.175 5.467 -3.914 1.00 0.00 C ATOM 518 CE LYS A 32 -11.240 6.727 -4.764 1.00 0.00 C ATOM 519 NZ LYS A 32 -12.645 7.122 -5.062 1.00 0.00 N ATOM 0 H LYS A 32 -7.384 3.733 -1.822 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.923 5.186 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.810 3.041 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.536 3.025 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.033 5.456 -4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.820 4.286 -5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.997 4.803 -4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.306 5.728 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.736 7.542 -4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.703 6.563 -5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.647 7.985 -5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.119 6.355 -5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.151 7.303 -4.172 1.00 0.00 H new ATOM 533 N PRO A 33 -11.314 3.251 -0.468 1.00 0.00 N ATOM 534 CA PRO A 33 -12.008 2.385 0.490 1.00 0.00 C ATOM 535 C PRO A 33 -11.922 0.912 0.108 1.00 0.00 C ATOM 536 O PRO A 33 -12.000 0.033 0.965 1.00 0.00 O ATOM 537 CB PRO A 33 -13.458 2.872 0.423 1.00 0.00 C ATOM 538 CG PRO A 33 -13.592 3.475 -0.932 1.00 0.00 C ATOM 539 CD PRO A 33 -12.250 4.071 -1.255 1.00 0.00 C ATOM 0 HA PRO A 33 -11.570 2.446 1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.159 2.049 0.561 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.667 3.603 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.872 2.722 -1.668 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.371 4.238 -0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.033 4.017 -2.322 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.199 5.122 -0.972 1.00 0.00 H new ATOM 547 N ASN A 34 -11.760 0.649 -1.185 1.00 0.00 N ATOM 548 CA ASN A 34 -11.663 -0.719 -1.681 1.00 0.00 C ATOM 549 C ASN A 34 -10.523 -0.853 -2.687 1.00 0.00 C ATOM 550 O ASN A 34 -10.555 -1.717 -3.564 1.00 0.00 O ATOM 551 CB ASN A 34 -12.983 -1.143 -2.329 1.00 0.00 C ATOM 552 CG ASN A 34 -14.102 -1.291 -1.317 1.00 0.00 C ATOM 553 OD1 ASN A 34 -13.988 -0.838 -0.178 1.00 0.00 O ATOM 554 ND2 ASN A 34 -15.192 -1.928 -1.730 1.00 0.00 N ATOM 0 H ASN A 34 -11.693 1.365 -1.908 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.455 -1.373 -0.834 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.270 -0.406 -3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.841 -2.089 -2.851 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.979 -2.058 -1.094 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.242 -2.287 -2.683 1.00 0.00 H new ATOM 561 N ILE A 35 -9.518 0.005 -2.552 1.00 0.00 N ATOM 562 CA ILE A 35 -8.368 -0.019 -3.447 1.00 0.00 C ATOM 563 C ILE A 35 -7.363 1.067 -3.081 1.00 0.00 C ATOM 564 O ILE A 35 -7.590 1.851 -2.158 1.00 0.00 O ATOM 565 CB ILE A 35 -8.794 0.165 -4.916 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.741 -0.430 -5.853 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.013 1.639 -5.223 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.323 -1.026 -7.115 1.00 0.00 C ATOM 0 H ILE A 35 -9.477 0.726 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.900 -0.997 -3.333 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.734 -0.363 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.027 0.347 -6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.186 -1.201 -5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.314 1.753 -6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.795 2.033 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.087 2.188 -5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.519 -1.429 -7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.016 -1.826 -6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.854 -0.253 -7.671 1.00 0.00 H new ATOM 580 N ILE A 36 -6.253 1.109 -3.810 1.00 0.00 N ATOM 581 CA ILE A 36 -5.215 2.102 -3.564 1.00 0.00 C ATOM 582 C ILE A 36 -4.483 2.463 -4.852 1.00 0.00 C ATOM 583 O ILE A 36 -3.663 1.691 -5.349 1.00 0.00 O ATOM 584 CB ILE A 36 -4.192 1.601 -2.528 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.865 1.405 -1.168 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.031 2.578 -2.414 1.00 0.00 C ATOM 587 CD1 ILE A 36 -3.954 0.795 -0.125 1.00 0.00 C ATOM 0 H ILE A 36 -6.049 0.467 -4.576 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.713 2.989 -3.172 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.801 0.640 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.223 2.369 -0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.739 0.766 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.317 2.210 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.539 2.672 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.405 3.553 -2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.498 0.685 0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.616 -0.184 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.092 1.444 0.029 1.00 0.00 H new ATOM 599 N SER A 37 -4.783 3.642 -5.386 1.00 0.00 N ATOM 600 CA SER A 37 -4.154 4.106 -6.618 1.00 0.00 C ATOM 601 C SER A 37 -3.099 5.167 -6.323 1.00 0.00 C ATOM 602 O SER A 37 -3.002 5.668 -5.203 1.00 0.00 O ATOM 603 CB SER A 37 -5.208 4.670 -7.572 1.00 0.00 C ATOM 604 OG SER A 37 -5.745 5.885 -7.079 1.00 0.00 O ATOM 0 H SER A 37 -5.458 4.294 -4.985 1.00 0.00 H new ATOM 0 HA SER A 37 -3.665 3.254 -7.091 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.763 4.837 -8.553 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.009 3.943 -7.705 1.00 0.00 H new ATOM 0 HG SER A 37 -5.582 6.602 -7.727 1.00 0.00 H new ATOM 610 N TYR A 38 -2.309 5.504 -7.337 1.00 0.00 N ATOM 611 CA TYR A 38 -1.258 6.504 -7.188 1.00 0.00 C ATOM 612 C TYR A 38 -1.026 7.250 -8.498 1.00 0.00 C ATOM 613 O TYR A 38 -0.644 6.653 -9.506 1.00 0.00 O ATOM 614 CB TYR A 38 0.041 5.843 -6.726 1.00 0.00 C ATOM 615 CG TYR A 38 0.338 4.536 -7.426 1.00 0.00 C ATOM 616 CD1 TYR A 38 -0.261 3.352 -7.012 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.215 4.484 -8.502 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.008 2.155 -7.647 1.00 0.00 C ATOM 619 CE2 TYR A 38 1.488 3.292 -9.145 1.00 0.00 C ATOM 620 CZ TYR A 38 0.882 2.131 -8.714 1.00 0.00 C ATOM 621 OH TYR A 38 1.151 0.941 -9.351 1.00 0.00 O ATOM 0 H TYR A 38 -2.377 5.099 -8.271 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.579 7.223 -6.435 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.869 6.532 -6.894 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.013 5.666 -5.652 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.949 3.368 -6.179 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.692 5.391 -8.842 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.463 1.243 -7.310 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.172 3.270 -9.980 1.00 0.00 H new ATOM 0 HH TYR A 38 1.785 1.097 -10.082 1.00 0.00 H new ATOM 631 N TYR A 39 -1.258 8.557 -8.476 1.00 0.00 N ATOM 632 CA TYR A 39 -1.076 9.386 -9.662 1.00 0.00 C ATOM 633 C TYR A 39 0.215 10.195 -9.568 1.00 0.00 C ATOM 634 O TYR A 39 0.432 10.929 -8.604 1.00 0.00 O ATOM 635 CB TYR A 39 -2.269 10.326 -9.841 1.00 0.00 C ATOM 636 CG TYR A 39 -3.601 9.613 -9.887 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.261 9.256 -8.717 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.199 9.294 -11.099 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.478 8.603 -8.754 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.416 8.642 -11.146 1.00 0.00 C ATOM 641 CZ TYR A 39 -6.052 8.299 -9.971 1.00 0.00 C ATOM 642 OH TYR A 39 -7.264 7.649 -10.013 1.00 0.00 O ATOM 0 H TYR A 39 -1.573 9.066 -7.650 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.008 8.727 -10.528 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.280 11.045 -9.022 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.138 10.894 -10.762 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.815 9.493 -7.762 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.704 9.560 -12.021 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.977 8.332 -7.835 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.867 8.402 -12.098 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.529 7.511 -10.946 1.00 0.00 H new ATOM 652 N VAL A 40 1.067 10.055 -10.578 1.00 0.00 N ATOM 653 CA VAL A 40 2.336 10.774 -10.613 1.00 0.00 C ATOM 654 C VAL A 40 2.202 12.156 -9.983 1.00 0.00 C ATOM 655 O VAL A 40 3.144 12.667 -9.378 1.00 0.00 O ATOM 656 CB VAL A 40 2.855 10.927 -12.054 1.00 0.00 C ATOM 657 CG1 VAL A 40 3.773 9.769 -12.417 1.00 0.00 C ATOM 658 CG2 VAL A 40 1.693 11.023 -13.032 1.00 0.00 C ATOM 0 H VAL A 40 0.902 9.451 -11.383 1.00 0.00 H new ATOM 0 HA VAL A 40 3.050 10.184 -10.039 1.00 0.00 H new ATOM 0 HB VAL A 40 3.431 11.850 -12.118 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.130 9.894 -13.439 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.623 9.751 -11.735 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.224 8.831 -12.337 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.079 11.131 -14.046 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.088 10.119 -12.968 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.079 11.889 -12.784 1.00 0.00 H new ATOM 668 N SER A 41 1.025 12.755 -10.129 1.00 0.00 N ATOM 669 CA SER A 41 0.768 14.080 -9.577 1.00 0.00 C ATOM 670 C SER A 41 -0.476 14.069 -8.694 1.00 0.00 C ATOM 671 O SER A 41 -1.159 13.052 -8.579 1.00 0.00 O ATOM 672 CB SER A 41 0.598 15.101 -10.704 1.00 0.00 C ATOM 673 OG SER A 41 -0.228 16.178 -10.297 1.00 0.00 O ATOM 0 H SER A 41 0.234 12.344 -10.625 1.00 0.00 H new ATOM 0 HA SER A 41 1.624 14.364 -8.965 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.574 15.481 -11.005 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.163 14.615 -11.577 1.00 0.00 H new ATOM 0 HG SER A 41 -0.319 16.817 -11.034 1.00 0.00 H new ATOM 679 N GLU A 42 -0.763 15.209 -8.072 1.00 0.00 N ATOM 680 CA GLU A 42 -1.924 15.330 -7.198 1.00 0.00 C ATOM 681 C GLU A 42 -3.102 15.952 -7.942 1.00 0.00 C ATOM 682 O GLU A 42 -3.923 16.653 -7.350 1.00 0.00 O ATOM 683 CB GLU A 42 -1.579 16.174 -5.969 1.00 0.00 C ATOM 684 CG GLU A 42 -1.497 17.663 -6.258 1.00 0.00 C ATOM 685 CD GLU A 42 -0.894 18.448 -5.108 1.00 0.00 C ATOM 686 OE1 GLU A 42 -0.214 17.832 -4.261 1.00 0.00 O ATOM 687 OE2 GLU A 42 -1.103 19.678 -5.056 1.00 0.00 O ATOM 0 H GLU A 42 -0.208 16.061 -8.157 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.209 14.329 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.331 16.003 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.625 15.838 -5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.899 17.823 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.496 18.044 -6.469 1.00 0.00 H new ATOM 694 N ASP A 43 -3.177 15.691 -9.242 1.00 0.00 N ATOM 695 CA ASP A 43 -4.255 16.225 -10.068 1.00 0.00 C ATOM 696 C ASP A 43 -5.258 15.133 -10.424 1.00 0.00 C ATOM 697 O ASP A 43 -6.323 15.410 -10.978 1.00 0.00 O ATOM 698 CB ASP A 43 -3.687 16.849 -11.344 1.00 0.00 C ATOM 699 CG ASP A 43 -3.200 18.268 -11.127 1.00 0.00 C ATOM 700 OD1 ASP A 43 -2.509 18.511 -10.115 1.00 0.00 O ATOM 701 OD2 ASP A 43 -3.510 19.136 -11.969 1.00 0.00 O ATOM 0 H ASP A 43 -2.505 15.113 -9.747 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.772 16.995 -9.495 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.862 16.237 -11.708 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.453 16.845 -12.119 1.00 0.00 H new ATOM 706 N LEU A 44 -4.912 13.891 -10.103 1.00 0.00 N ATOM 707 CA LEU A 44 -5.782 12.756 -10.390 1.00 0.00 C ATOM 708 C LEU A 44 -6.091 12.670 -11.881 1.00 0.00 C ATOM 709 O LEU A 44 -7.202 12.317 -12.277 1.00 0.00 O ATOM 710 CB LEU A 44 -7.083 12.871 -9.594 1.00 0.00 C ATOM 711 CG LEU A 44 -6.940 13.295 -8.132 1.00 0.00 C ATOM 712 CD1 LEU A 44 -8.307 13.507 -7.501 1.00 0.00 C ATOM 713 CD2 LEU A 44 -6.145 12.259 -7.351 1.00 0.00 C ATOM 0 H LEU A 44 -4.035 13.645 -9.644 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.261 11.846 -10.093 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.731 13.588 -10.098 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.590 11.907 -9.624 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.397 14.240 -8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.185 13.808 -6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.841 14.286 -8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.876 12.578 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.053 12.578 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.660 11.299 -7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.152 12.157 -7.788 1.00 0.00 H new ATOM 725 N LYS A 45 -5.100 12.992 -12.705 1.00 0.00 N ATOM 726 CA LYS A 45 -5.263 12.949 -14.154 1.00 0.00 C ATOM 727 C LYS A 45 -4.449 11.810 -14.759 1.00 0.00 C ATOM 728 O LYS A 45 -4.945 11.056 -15.596 1.00 0.00 O ATOM 729 CB LYS A 45 -4.837 14.281 -14.776 1.00 0.00 C ATOM 730 CG LYS A 45 -5.586 15.479 -14.219 1.00 0.00 C ATOM 731 CD LYS A 45 -6.851 15.764 -15.012 1.00 0.00 C ATOM 732 CE LYS A 45 -7.521 17.048 -14.550 1.00 0.00 C ATOM 733 NZ LYS A 45 -8.437 16.812 -13.399 1.00 0.00 N ATOM 0 H LYS A 45 -4.174 13.286 -12.394 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.317 12.775 -14.371 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.769 14.423 -14.613 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.992 14.235 -15.854 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.843 15.296 -13.176 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.938 16.355 -14.238 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.608 15.840 -16.072 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.545 14.931 -14.903 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.759 17.773 -14.265 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.082 17.483 -15.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.874 17.711 -13.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.179 16.139 -13.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.898 16.420 -12.601 1.00 0.00 H new ATOM 747 N ASP A 46 -3.198 11.689 -14.328 1.00 0.00 N ATOM 748 CA ASP A 46 -2.316 10.640 -14.826 1.00 0.00 C ATOM 749 C ASP A 46 -2.177 9.516 -13.803 1.00 0.00 C ATOM 750 O ASP A 46 -1.614 9.710 -12.725 1.00 0.00 O ATOM 751 CB ASP A 46 -0.939 11.217 -15.159 1.00 0.00 C ATOM 752 CG ASP A 46 -0.247 10.457 -16.274 1.00 0.00 C ATOM 753 OD1 ASP A 46 -0.920 10.125 -17.273 1.00 0.00 O ATOM 754 OD2 ASP A 46 0.967 10.195 -16.148 1.00 0.00 O ATOM 0 H ASP A 46 -2.772 12.304 -13.635 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.758 10.228 -15.734 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.047 12.262 -15.448 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.314 11.196 -14.266 1.00 0.00 H new ATOM 759 N LYS A 47 -2.693 8.342 -14.148 1.00 0.00 N ATOM 760 CA LYS A 47 -2.627 7.186 -13.261 1.00 0.00 C ATOM 761 C LYS A 47 -1.515 6.234 -13.690 1.00 0.00 C ATOM 762 O LYS A 47 -1.222 6.101 -14.879 1.00 0.00 O ATOM 763 CB LYS A 47 -3.968 6.449 -13.250 1.00 0.00 C ATOM 764 CG LYS A 47 -4.142 5.523 -12.059 1.00 0.00 C ATOM 765 CD LYS A 47 -5.468 4.782 -12.118 1.00 0.00 C ATOM 766 CE LYS A 47 -5.462 3.714 -13.201 1.00 0.00 C ATOM 767 NZ LYS A 47 -6.830 3.188 -13.468 1.00 0.00 N ATOM 0 H LYS A 47 -3.162 8.165 -15.036 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.407 7.543 -12.255 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.776 7.181 -13.252 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.062 5.869 -14.168 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.323 4.804 -12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.088 6.101 -11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.671 4.321 -11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.274 5.491 -12.309 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.047 4.130 -14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.810 2.894 -12.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.784 2.463 -14.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.216 2.768 -12.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.446 3.965 -13.780 1.00 0.00 H new ATOM 781 N LYS A 48 -0.900 5.573 -12.716 1.00 0.00 N ATOM 782 CA LYS A 48 0.178 4.631 -12.992 1.00 0.00 C ATOM 783 C LYS A 48 -0.296 3.193 -12.808 1.00 0.00 C ATOM 784 O LYS A 48 0.043 2.311 -13.596 1.00 0.00 O ATOM 785 CB LYS A 48 1.371 4.907 -12.074 1.00 0.00 C ATOM 786 CG LYS A 48 2.076 6.219 -12.371 1.00 0.00 C ATOM 787 CD LYS A 48 2.846 6.156 -13.679 1.00 0.00 C ATOM 788 CE LYS A 48 4.165 5.417 -13.514 1.00 0.00 C ATOM 789 NZ LYS A 48 4.637 4.830 -14.798 1.00 0.00 N ATOM 0 H LYS A 48 -1.130 5.672 -11.727 1.00 0.00 H new ATOM 0 HA LYS A 48 0.486 4.764 -14.029 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.028 4.914 -11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.087 4.090 -12.167 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.343 7.024 -12.418 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.760 6.458 -11.557 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.240 5.657 -14.435 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.037 7.167 -14.039 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.920 6.103 -13.129 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.047 4.625 -12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.538 4.335 -14.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.929 4.156 -15.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.774 5.588 -15.497 1.00 0.00 H new ATOM 803 N GLY A 49 -1.084 2.963 -11.762 1.00 0.00 N ATOM 804 CA GLY A 49 -1.593 1.631 -11.494 1.00 0.00 C ATOM 805 C GLY A 49 -2.638 1.618 -10.396 1.00 0.00 C ATOM 806 O GLY A 49 -3.067 2.672 -9.926 1.00 0.00 O ATOM 0 H GLY A 49 -1.379 3.676 -11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.025 1.220 -12.407 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.766 0.980 -11.211 1.00 0.00 H new ATOM 810 N ASP A 50 -3.050 0.424 -9.988 1.00 0.00 N ATOM 811 CA ASP A 50 -4.053 0.278 -8.938 1.00 0.00 C ATOM 812 C ASP A 50 -3.791 -0.974 -8.107 1.00 0.00 C ATOM 813 O ASP A 50 -3.579 -2.058 -8.650 1.00 0.00 O ATOM 814 CB ASP A 50 -5.454 0.217 -9.547 1.00 0.00 C ATOM 815 CG ASP A 50 -5.641 1.217 -10.672 1.00 0.00 C ATOM 816 OD1 ASP A 50 -5.146 0.954 -11.787 1.00 0.00 O ATOM 817 OD2 ASP A 50 -6.282 2.263 -10.436 1.00 0.00 O ATOM 0 H ASP A 50 -2.706 -0.458 -10.368 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.987 1.147 -8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.639 -0.789 -9.924 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.194 0.407 -8.769 1.00 0.00 H new ATOM 822 N ILE A 51 -3.807 -0.815 -6.788 1.00 0.00 N ATOM 823 CA ILE A 51 -3.571 -1.933 -5.882 1.00 0.00 C ATOM 824 C ILE A 51 -4.884 -2.489 -5.342 1.00 0.00 C ATOM 825 O ILE A 51 -5.417 -1.998 -4.346 1.00 0.00 O ATOM 826 CB ILE A 51 -2.677 -1.519 -4.698 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.361 -0.927 -5.207 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.412 -2.712 -3.792 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.664 -0.045 -4.195 1.00 0.00 C ATOM 0 H ILE A 51 -3.981 0.076 -6.323 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.062 -2.705 -6.459 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.197 -0.756 -4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.692 -1.740 -5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.558 -0.347 -6.108 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.779 -2.404 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.358 -3.093 -3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.909 -3.495 -4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.261 0.340 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.315 0.788 -3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.436 -0.626 -3.302 1.00 0.00 H new ATOM 841 N LEU A 52 -5.401 -3.518 -6.005 1.00 0.00 N ATOM 842 CA LEU A 52 -6.652 -4.145 -5.591 1.00 0.00 C ATOM 843 C LEU A 52 -6.575 -4.609 -4.140 1.00 0.00 C ATOM 844 O LEU A 52 -5.879 -5.574 -3.822 1.00 0.00 O ATOM 845 CB LEU A 52 -6.977 -5.330 -6.501 1.00 0.00 C ATOM 846 CG LEU A 52 -6.968 -5.045 -8.004 1.00 0.00 C ATOM 847 CD1 LEU A 52 -6.928 -6.344 -8.793 1.00 0.00 C ATOM 848 CD2 LEU A 52 -8.182 -4.217 -8.397 1.00 0.00 C ATOM 0 H LEU A 52 -4.973 -3.936 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.446 -3.403 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.260 -6.125 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.961 -5.711 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.071 -4.473 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.922 -6.122 -9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.027 -6.900 -8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.806 -6.943 -8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.159 -4.024 -9.470 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.091 -4.763 -8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.167 -3.270 -7.857 1.00 0.00 H new ATOM 860 N LEU A 53 -7.295 -3.917 -3.264 1.00 0.00 N ATOM 861 CA LEU A 53 -7.310 -4.260 -1.846 1.00 0.00 C ATOM 862 C LEU A 53 -8.095 -5.545 -1.605 1.00 0.00 C ATOM 863 O LEU A 53 -9.234 -5.682 -2.053 1.00 0.00 O ATOM 864 CB LEU A 53 -7.919 -3.117 -1.032 1.00 0.00 C ATOM 865 CG LEU A 53 -6.968 -1.980 -0.657 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.730 -0.845 0.011 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.860 -2.489 0.254 1.00 0.00 C ATOM 0 H LEU A 53 -7.876 -3.115 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.281 -4.419 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.750 -2.697 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.336 -3.533 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.513 -1.597 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.037 -0.045 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.486 -0.462 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.213 -1.214 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.193 -1.666 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.297 -2.899 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.295 -3.267 -0.260 1.00 0.00 H new ATOM 879 N ASP A 54 -7.480 -6.484 -0.894 1.00 0.00 N ATOM 880 CA ASP A 54 -8.122 -7.757 -0.590 1.00 0.00 C ATOM 881 C ASP A 54 -7.833 -8.183 0.846 1.00 0.00 C ATOM 882 O ASP A 54 -6.725 -7.994 1.347 1.00 0.00 O ATOM 883 CB ASP A 54 -7.645 -8.838 -1.561 1.00 0.00 C ATOM 884 CG ASP A 54 -7.977 -8.508 -3.003 1.00 0.00 C ATOM 885 OD1 ASP A 54 -7.823 -7.331 -3.393 1.00 0.00 O ATOM 886 OD2 ASP A 54 -8.391 -9.425 -3.742 1.00 0.00 O ATOM 0 H ASP A 54 -6.537 -6.387 -0.517 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.199 -7.628 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.567 -8.964 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.104 -9.790 -1.294 1.00 0.00 H new ATOM 891 N GLU A 55 -8.837 -8.756 1.502 1.00 0.00 N ATOM 892 CA GLU A 55 -8.689 -9.206 2.881 1.00 0.00 C ATOM 893 C GLU A 55 -7.272 -9.708 3.141 1.00 0.00 C ATOM 894 O GLU A 55 -6.696 -9.454 4.198 1.00 0.00 O ATOM 895 CB GLU A 55 -9.699 -10.314 3.190 1.00 0.00 C ATOM 896 CG GLU A 55 -9.534 -11.548 2.319 1.00 0.00 C ATOM 897 CD GLU A 55 -10.703 -12.506 2.438 1.00 0.00 C ATOM 898 OE1 GLU A 55 -11.328 -12.547 3.518 1.00 0.00 O ATOM 899 OE2 GLU A 55 -10.994 -13.214 1.451 1.00 0.00 O ATOM 0 H GLU A 55 -9.761 -8.919 1.101 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.880 -8.356 3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.600 -10.602 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.708 -9.921 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.424 -11.242 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.616 -12.065 2.598 1.00 0.00 H new ATOM 906 N ASN A 56 -6.716 -10.423 2.168 1.00 0.00 N ATOM 907 CA ASN A 56 -5.366 -10.962 2.292 1.00 0.00 C ATOM 908 C ASN A 56 -4.342 -9.839 2.422 1.00 0.00 C ATOM 909 O ASN A 56 -3.568 -9.798 3.378 1.00 0.00 O ATOM 910 CB ASN A 56 -5.031 -11.836 1.081 1.00 0.00 C ATOM 911 CG ASN A 56 -5.579 -13.243 1.214 1.00 0.00 C ATOM 912 OD1 ASN A 56 -6.898 -13.375 1.132 1.00 0.00 O flip ATOM 913 ND2 ASN A 56 -4.826 -14.201 1.389 1.00 0.00 N flip ATOM 0 H ASN A 56 -7.179 -10.642 1.286 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.326 -11.572 3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.436 -11.375 0.180 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.949 -11.881 0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.818 -14.054 1.446 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.210 -15.142 1.477 1.00 0.00 H new ATOM 920 N CYS A 57 -4.343 -8.929 1.453 1.00 0.00 N ATOM 921 CA CYS A 57 -3.415 -7.805 1.458 1.00 0.00 C ATOM 922 C CYS A 57 -3.303 -7.198 2.854 1.00 0.00 C ATOM 923 O CYS A 57 -4.272 -7.180 3.613 1.00 0.00 O ATOM 924 CB CYS A 57 -3.869 -6.738 0.460 1.00 0.00 C ATOM 925 SG CYS A 57 -3.534 -7.157 -1.281 1.00 0.00 S ATOM 0 H CYS A 57 -4.977 -8.949 0.654 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.433 -8.175 1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.939 -6.573 0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.372 -5.798 0.698 1.00 0.00 H new ATOM 930 N CYS A 58 -2.116 -6.702 3.183 1.00 0.00 N ATOM 931 CA CYS A 58 -1.877 -6.094 4.488 1.00 0.00 C ATOM 932 C CYS A 58 -0.686 -5.142 4.434 1.00 0.00 C ATOM 933 O CYS A 58 0.097 -5.164 3.484 1.00 0.00 O ATOM 934 CB CYS A 58 -1.632 -7.176 5.540 1.00 0.00 C ATOM 935 SG CYS A 58 -2.003 -6.658 7.232 1.00 0.00 S ATOM 0 H CYS A 58 -1.304 -6.708 2.565 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.764 -5.523 4.764 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.239 -8.048 5.297 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.589 -7.489 5.488 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.767 -7.642 8.049 1.00 0.00 H new ATOM 941 N VAL A 59 -0.558 -4.305 5.458 1.00 0.00 N ATOM 942 CA VAL A 59 0.536 -3.344 5.527 1.00 0.00 C ATOM 943 C VAL A 59 1.357 -3.536 6.798 1.00 0.00 C ATOM 944 O VAL A 59 0.818 -3.876 7.850 1.00 0.00 O ATOM 945 CB VAL A 59 0.014 -1.895 5.481 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.965 -1.643 6.617 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.172 -0.910 5.536 1.00 0.00 C ATOM 0 H VAL A 59 -1.198 -4.273 6.251 1.00 0.00 H new ATOM 0 HA VAL A 59 1.169 -3.522 4.658 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.514 -1.748 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.323 -0.615 6.568 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.810 -2.326 6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.465 -1.808 7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.785 0.109 5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.730 -1.056 6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.831 -1.076 4.684 1.00 0.00 H new ATOM 957 N GLU A 60 2.663 -3.315 6.691 1.00 0.00 N ATOM 958 CA GLU A 60 3.559 -3.464 7.832 1.00 0.00 C ATOM 959 C GLU A 60 4.552 -2.308 7.899 1.00 0.00 C ATOM 960 O GLU A 60 4.725 -1.567 6.931 1.00 0.00 O ATOM 961 CB GLU A 60 4.311 -4.794 7.747 1.00 0.00 C ATOM 962 CG GLU A 60 3.399 -6.007 7.684 1.00 0.00 C ATOM 963 CD GLU A 60 2.748 -6.317 9.018 1.00 0.00 C ATOM 964 OE1 GLU A 60 3.484 -6.460 10.017 1.00 0.00 O ATOM 965 OE2 GLU A 60 1.504 -6.419 9.062 1.00 0.00 O ATOM 0 H GLU A 60 3.124 -3.032 5.826 1.00 0.00 H new ATOM 0 HA GLU A 60 2.955 -3.454 8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.950 -4.784 6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.966 -4.887 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.624 -5.836 6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.974 -6.872 7.355 1.00 0.00 H new ATOM 972 N SER A 61 5.203 -2.160 9.049 1.00 0.00 N ATOM 973 CA SER A 61 6.176 -1.092 9.245 1.00 0.00 C ATOM 974 C SER A 61 7.600 -1.634 9.171 1.00 0.00 C ATOM 975 O SER A 61 7.922 -2.653 9.784 1.00 0.00 O ATOM 976 CB SER A 61 5.948 -0.407 10.593 1.00 0.00 C ATOM 977 OG SER A 61 6.187 -1.302 11.666 1.00 0.00 O ATOM 0 H SER A 61 5.074 -2.767 9.859 1.00 0.00 H new ATOM 0 HA SER A 61 6.042 -0.361 8.447 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.607 0.457 10.682 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.925 -0.034 10.647 1.00 0.00 H new ATOM 0 HG SER A 61 6.036 -0.840 12.517 1.00 0.00 H new ATOM 983 N LEU A 62 8.450 -0.947 8.415 1.00 0.00 N ATOM 984 CA LEU A 62 9.841 -1.358 8.260 1.00 0.00 C ATOM 985 C LEU A 62 10.784 -0.336 8.885 1.00 0.00 C ATOM 986 O LEU A 62 10.529 0.868 8.875 1.00 0.00 O ATOM 987 CB LEU A 62 10.177 -1.540 6.779 1.00 0.00 C ATOM 988 CG LEU A 62 9.284 -2.508 6.001 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.626 -2.478 4.520 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.419 -3.919 6.554 1.00 0.00 C ATOM 0 H LEU A 62 8.200 -0.103 7.900 1.00 0.00 H new ATOM 0 HA LEU A 62 9.973 -2.309 8.776 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.130 -0.565 6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.208 -1.886 6.701 1.00 0.00 H new ATOM 0 HG LEU A 62 8.248 -2.191 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.980 -3.173 3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.476 -1.470 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.667 -2.769 4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.777 -4.594 5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.455 -4.246 6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.122 -3.929 7.603 1.00 0.00 H new ATOM 1002 N PRO A 63 11.902 -0.825 9.442 1.00 0.00 N ATOM 1003 CA PRO A 63 12.908 0.030 10.080 1.00 0.00 C ATOM 1004 C PRO A 63 13.667 0.885 9.071 1.00 0.00 C ATOM 1005 O PRO A 63 13.286 0.968 7.903 1.00 0.00 O ATOM 1006 CB PRO A 63 13.852 -0.972 10.749 1.00 0.00 C ATOM 1007 CG PRO A 63 13.701 -2.223 9.955 1.00 0.00 C ATOM 1008 CD PRO A 63 12.271 -2.250 9.490 1.00 0.00 C ATOM 0 HA PRO A 63 12.458 0.741 10.773 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.882 -0.616 10.735 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.584 -1.131 11.794 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.387 -2.232 9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.931 -3.100 10.561 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.175 -2.723 8.513 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.635 -2.807 10.178 1.00 0.00 H new ATOM 1016 N ASP A 64 14.742 1.517 9.528 1.00 0.00 N ATOM 1017 CA ASP A 64 15.555 2.365 8.664 1.00 0.00 C ATOM 1018 C ASP A 64 16.508 1.524 7.820 1.00 0.00 C ATOM 1019 O ASP A 64 17.276 0.719 8.346 1.00 0.00 O ATOM 1020 CB ASP A 64 16.348 3.371 9.501 1.00 0.00 C ATOM 1021 CG ASP A 64 17.089 2.713 10.648 1.00 0.00 C ATOM 1022 OD1 ASP A 64 18.241 2.279 10.439 1.00 0.00 O ATOM 1023 OD2 ASP A 64 16.517 2.631 11.755 1.00 0.00 O ATOM 0 H ASP A 64 15.071 1.458 10.492 1.00 0.00 H new ATOM 0 HA ASP A 64 14.887 2.907 7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.062 3.889 8.861 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.668 4.126 9.897 1.00 0.00 H new ATOM 1028 N LYS A 65 16.451 1.716 6.506 1.00 0.00 N ATOM 1029 CA LYS A 65 17.308 0.977 5.587 1.00 0.00 C ATOM 1030 C LYS A 65 18.217 1.924 4.810 1.00 0.00 C ATOM 1031 O LYS A 65 19.389 1.624 4.578 1.00 0.00 O ATOM 1032 CB LYS A 65 16.459 0.155 4.615 1.00 0.00 C ATOM 1033 CG LYS A 65 15.455 0.985 3.833 1.00 0.00 C ATOM 1034 CD LYS A 65 14.874 0.203 2.667 1.00 0.00 C ATOM 1035 CE LYS A 65 13.713 -0.675 3.108 1.00 0.00 C ATOM 1036 NZ LYS A 65 12.449 0.101 3.242 1.00 0.00 N ATOM 0 H LYS A 65 15.820 2.378 6.054 1.00 0.00 H new ATOM 0 HA LYS A 65 17.932 0.303 6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.118 -0.358 3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.926 -0.615 5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.650 1.304 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.939 1.888 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.536 0.895 1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.651 -0.417 2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.571 -1.479 2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.954 -1.143 4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.007 -0.112 4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.659 1.118 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.798 -0.161 2.475 1.00 0.00 H new ATOM 1050 N ASP A 66 17.670 3.067 4.411 1.00 0.00 N ATOM 1051 CA ASP A 66 18.433 4.059 3.662 1.00 0.00 C ATOM 1052 C ASP A 66 18.201 5.459 4.222 1.00 0.00 C ATOM 1053 O ASP A 66 17.435 6.243 3.664 1.00 0.00 O ATOM 1054 CB ASP A 66 18.048 4.018 2.182 1.00 0.00 C ATOM 1055 CG ASP A 66 18.635 5.177 1.399 1.00 0.00 C ATOM 1056 OD1 ASP A 66 19.845 5.134 1.094 1.00 0.00 O ATOM 1057 OD2 ASP A 66 17.883 6.125 1.091 1.00 0.00 O ATOM 0 H ASP A 66 16.701 3.330 4.594 1.00 0.00 H new ATOM 0 HA ASP A 66 19.491 3.818 3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.390 3.079 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.962 4.035 2.091 1.00 0.00 H new ATOM 1062 N GLY A 67 18.869 5.765 5.331 1.00 0.00 N ATOM 1063 CA GLY A 67 18.721 7.069 5.949 1.00 0.00 C ATOM 1064 C GLY A 67 17.270 7.479 6.099 1.00 0.00 C ATOM 1065 O GLY A 67 16.903 8.616 5.799 1.00 0.00 O ATOM 0 H GLY A 67 19.509 5.133 5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.195 7.058 6.930 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.245 7.813 5.350 1.00 0.00 H new ATOM 1069 N LYS A 68 16.439 6.551 6.563 1.00 0.00 N ATOM 1070 CA LYS A 68 15.019 6.821 6.752 1.00 0.00 C ATOM 1071 C LYS A 68 14.670 6.885 8.235 1.00 0.00 C ATOM 1072 O LYS A 68 15.523 6.661 9.095 1.00 0.00 O ATOM 1073 CB LYS A 68 14.179 5.741 6.066 1.00 0.00 C ATOM 1074 CG LYS A 68 14.202 5.825 4.549 1.00 0.00 C ATOM 1075 CD LYS A 68 13.513 7.084 4.050 1.00 0.00 C ATOM 1076 CE LYS A 68 13.257 7.023 2.552 1.00 0.00 C ATOM 1077 NZ LYS A 68 13.031 8.375 1.971 1.00 0.00 N ATOM 0 H LYS A 68 16.725 5.605 6.815 1.00 0.00 H new ATOM 0 HA LYS A 68 14.795 7.788 6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.542 4.760 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.148 5.821 6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.234 5.811 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.710 4.948 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.568 7.216 4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.130 7.953 4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.107 6.553 2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.388 6.395 2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.860 8.289 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.204 8.814 2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.870 8.967 2.133 1.00 0.00 H new ATOM 1091 N LYS A 69 13.411 7.190 8.530 1.00 0.00 N ATOM 1092 CA LYS A 69 12.947 7.281 9.909 1.00 0.00 C ATOM 1093 C LYS A 69 11.712 6.413 10.126 1.00 0.00 C ATOM 1094 O LYS A 69 11.697 5.546 11.001 1.00 0.00 O ATOM 1095 CB LYS A 69 12.631 8.735 10.268 1.00 0.00 C ATOM 1096 CG LYS A 69 13.850 9.642 10.259 1.00 0.00 C ATOM 1097 CD LYS A 69 14.104 10.221 8.878 1.00 0.00 C ATOM 1098 CE LYS A 69 15.294 11.167 8.880 1.00 0.00 C ATOM 1099 NZ LYS A 69 16.581 10.440 8.699 1.00 0.00 N ATOM 0 H LYS A 69 12.693 7.379 7.831 1.00 0.00 H new ATOM 0 HA LYS A 69 13.743 6.918 10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.895 9.123 9.564 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.173 8.765 11.257 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.707 10.453 10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.725 9.080 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.283 9.411 8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.216 10.753 8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.176 11.901 8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.318 11.719 9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.368 11.120 8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.706 9.758 9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.569 9.934 7.791 1.00 0.00 H new ATOM 1113 N CYS A 70 10.680 6.650 9.325 1.00 0.00 N ATOM 1114 CA CYS A 70 9.440 5.888 9.430 1.00 0.00 C ATOM 1115 C CYS A 70 9.077 5.254 8.091 1.00 0.00 C ATOM 1116 O CYS A 70 8.413 5.872 7.258 1.00 0.00 O ATOM 1117 CB CYS A 70 8.301 6.792 9.905 1.00 0.00 C ATOM 1118 SG CYS A 70 8.354 7.180 11.670 1.00 0.00 S ATOM 0 H CYS A 70 10.676 7.363 8.596 1.00 0.00 H new ATOM 0 HA CYS A 70 9.591 5.092 10.159 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.330 7.723 9.338 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.350 6.310 9.678 1.00 0.00 H new ATOM 0 HG CYS A 70 7.189 6.953 12.199 1.00 0.00 H new ATOM 1124 N LEU A 71 9.519 4.017 7.890 1.00 0.00 N ATOM 1125 CA LEU A 71 9.243 3.298 6.651 1.00 0.00 C ATOM 1126 C LEU A 71 8.095 2.311 6.839 1.00 0.00 C ATOM 1127 O LEU A 71 7.808 1.882 7.956 1.00 0.00 O ATOM 1128 CB LEU A 71 10.495 2.557 6.178 1.00 0.00 C ATOM 1129 CG LEU A 71 11.575 3.416 5.520 1.00 0.00 C ATOM 1130 CD1 LEU A 71 12.939 2.759 5.660 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.244 3.658 4.054 1.00 0.00 C ATOM 0 H LEU A 71 10.070 3.491 8.569 1.00 0.00 H new ATOM 0 HA LEU A 71 8.952 4.026 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.936 2.047 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.191 1.786 5.470 1.00 0.00 H new ATOM 0 HG LEU A 71 11.606 4.380 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.695 3.385 5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.178 2.639 6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.923 1.781 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.023 4.271 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.185 2.703 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.287 4.173 3.977 1.00 0.00 H new ATOM 1143 N PHE A 72 7.442 1.954 5.737 1.00 0.00 N ATOM 1144 CA PHE A 72 6.326 1.017 5.780 1.00 0.00 C ATOM 1145 C PHE A 72 6.104 0.373 4.415 1.00 0.00 C ATOM 1146 O PHE A 72 6.062 1.057 3.392 1.00 0.00 O ATOM 1147 CB PHE A 72 5.050 1.731 6.233 1.00 0.00 C ATOM 1148 CG PHE A 72 4.472 2.644 5.190 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.598 2.157 4.232 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.803 3.989 5.168 1.00 0.00 C ATOM 1151 CE1 PHE A 72 3.064 2.995 3.271 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.271 4.832 4.210 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.402 4.334 3.260 1.00 0.00 C ATOM 0 H PHE A 72 7.667 2.300 4.804 1.00 0.00 H new ATOM 0 HA PHE A 72 6.570 0.233 6.497 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.303 0.985 6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.266 2.309 7.131 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.331 1.111 4.236 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.484 4.383 5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.383 2.603 2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.535 5.879 4.205 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.987 4.990 2.509 1.00 0.00 H new ATOM 1163 N LEU A 73 5.964 -0.948 4.407 1.00 0.00 N ATOM 1164 CA LEU A 73 5.747 -1.687 3.168 1.00 0.00 C ATOM 1165 C LEU A 73 4.428 -2.452 3.214 1.00 0.00 C ATOM 1166 O LEU A 73 3.940 -2.805 4.287 1.00 0.00 O ATOM 1167 CB LEU A 73 6.903 -2.657 2.920 1.00 0.00 C ATOM 1168 CG LEU A 73 6.741 -3.606 1.732 1.00 0.00 C ATOM 1169 CD1 LEU A 73 8.097 -3.950 1.135 1.00 0.00 C ATOM 1170 CD2 LEU A 73 6.006 -4.869 2.154 1.00 0.00 C ATOM 0 H LEU A 73 5.997 -1.529 5.244 1.00 0.00 H new ATOM 0 HA LEU A 73 5.701 -0.969 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.813 -2.076 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.048 -3.255 3.820 1.00 0.00 H new ATOM 0 HG LEU A 73 6.148 -3.103 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.962 -4.626 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.587 -3.038 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.716 -4.433 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.900 -5.532 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.572 -5.375 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.019 -4.606 2.533 1.00 0.00 H new ATOM 1182 N VAL A 74 3.856 -2.706 2.041 1.00 0.00 N ATOM 1183 CA VAL A 74 2.595 -3.433 1.946 1.00 0.00 C ATOM 1184 C VAL A 74 2.785 -4.776 1.251 1.00 0.00 C ATOM 1185 O VAL A 74 3.353 -4.848 0.161 1.00 0.00 O ATOM 1186 CB VAL A 74 1.534 -2.617 1.184 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.261 -3.431 1.008 1.00 0.00 C ATOM 1188 CG2 VAL A 74 1.246 -1.310 1.907 1.00 0.00 C ATOM 0 H VAL A 74 4.246 -2.419 1.143 1.00 0.00 H new ATOM 0 HA VAL A 74 2.249 -3.602 2.966 1.00 0.00 H new ATOM 0 HB VAL A 74 1.925 -2.379 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.478 -2.839 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.483 -4.337 0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.136 -3.701 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.494 -0.747 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.876 -1.523 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.162 -0.723 1.976 1.00 0.00 H new ATOM 1198 N LYS A 75 2.306 -5.839 1.888 1.00 0.00 N ATOM 1199 CA LYS A 75 2.421 -7.181 1.330 1.00 0.00 C ATOM 1200 C LYS A 75 1.063 -7.692 0.859 1.00 0.00 C ATOM 1201 O LYS A 75 0.125 -7.811 1.647 1.00 0.00 O ATOM 1202 CB LYS A 75 3.005 -8.139 2.371 1.00 0.00 C ATOM 1203 CG LYS A 75 4.523 -8.172 2.383 1.00 0.00 C ATOM 1204 CD LYS A 75 5.058 -8.756 3.680 1.00 0.00 C ATOM 1205 CE LYS A 75 6.439 -8.210 4.009 1.00 0.00 C ATOM 1206 NZ LYS A 75 7.134 -9.040 5.031 1.00 0.00 N ATOM 0 H LYS A 75 1.834 -5.797 2.791 1.00 0.00 H new ATOM 0 HA LYS A 75 3.090 -7.135 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.648 -7.849 3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.630 -9.144 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.882 -8.764 1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.911 -7.162 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.371 -8.526 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.105 -9.842 3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.041 -8.173 3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.348 -7.187 4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.072 -8.635 5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.573 -9.055 5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.244 -10.010 4.674 1.00 0.00 H new ATOM 1220 N CYS A 76 0.965 -7.995 -0.432 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.277 -8.494 -1.009 1.00 0.00 C ATOM 1222 C CYS A 76 -0.127 -9.948 -1.448 1.00 0.00 C ATOM 1223 O CYS A 76 0.957 -10.526 -1.358 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.693 -7.631 -2.201 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.767 -6.226 -1.762 1.00 0.00 S ATOM 0 H CYS A 76 1.732 -7.903 -1.098 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.051 -8.442 -0.243 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.203 -7.250 -2.691 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.211 -8.258 -2.927 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.221 -10.533 -1.923 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.212 -11.919 -2.376 1.00 0.00 C ATOM 1232 C PHE A 77 0.149 -12.294 -2.953 1.00 0.00 C ATOM 1233 O PHE A 77 0.880 -13.099 -2.375 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.303 -12.142 -3.425 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.626 -12.545 -2.839 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -3.880 -13.868 -2.514 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.615 -11.602 -2.614 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -5.096 -14.242 -1.974 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -5.833 -11.970 -2.074 1.00 0.00 C ATOM 1240 CZ PHE A 77 -6.074 -13.292 -1.755 1.00 0.00 C ATOM 0 H PHE A 77 -2.126 -10.069 -2.004 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.410 -12.558 -1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.434 -11.226 -4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.974 -12.913 -4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.119 -14.615 -2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.432 -10.567 -2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.281 -15.276 -1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.595 -11.225 -1.902 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.026 -13.582 -1.335 1.00 0.00 H new ATOM 1250 N ASP A 78 0.483 -11.705 -4.096 1.00 0.00 N ATOM 1251 CA ASP A 78 1.757 -11.976 -4.752 1.00 0.00 C ATOM 1252 C ASP A 78 2.523 -10.681 -5.007 1.00 0.00 C ATOM 1253 O ASP A 78 3.754 -10.659 -4.975 1.00 0.00 O ATOM 1254 CB ASP A 78 1.528 -12.715 -6.072 1.00 0.00 C ATOM 1255 CG ASP A 78 1.527 -14.221 -5.898 1.00 0.00 C ATOM 1256 OD1 ASP A 78 2.383 -14.732 -5.146 1.00 0.00 O ATOM 1257 OD2 ASP A 78 0.672 -14.890 -6.516 1.00 0.00 O ATOM 0 H ASP A 78 -0.111 -11.037 -4.587 1.00 0.00 H new ATOM 0 HA ASP A 78 2.352 -12.605 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.576 -12.401 -6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.306 -12.434 -6.782 1.00 0.00 H new ATOM 1262 N LYS A 79 1.787 -9.605 -5.261 1.00 0.00 N ATOM 1263 CA LYS A 79 2.396 -8.305 -5.522 1.00 0.00 C ATOM 1264 C LYS A 79 2.753 -7.601 -4.217 1.00 0.00 C ATOM 1265 O LYS A 79 2.219 -7.926 -3.156 1.00 0.00 O ATOM 1266 CB LYS A 79 1.447 -7.430 -6.343 1.00 0.00 C ATOM 1267 CG LYS A 79 1.603 -7.606 -7.844 1.00 0.00 C ATOM 1268 CD LYS A 79 2.754 -6.776 -8.386 1.00 0.00 C ATOM 1269 CE LYS A 79 4.054 -7.566 -8.399 1.00 0.00 C ATOM 1270 NZ LYS A 79 5.032 -7.008 -9.374 1.00 0.00 N ATOM 0 H LYS A 79 0.767 -9.607 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 79 3.312 -8.468 -6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.419 -7.662 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.619 -6.384 -6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.773 -8.658 -8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.678 -7.317 -8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.519 -6.443 -9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.877 -5.881 -7.776 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.492 -7.560 -7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.845 -8.606 -8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.904 -7.574 -9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.624 -7.037 -10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.252 -6.024 -9.121 1.00 0.00 H new ATOM 1284 N THR A 80 3.659 -6.632 -4.301 1.00 0.00 N ATOM 1285 CA THR A 80 4.087 -5.881 -3.128 1.00 0.00 C ATOM 1286 C THR A 80 4.346 -4.419 -3.475 1.00 0.00 C ATOM 1287 O THR A 80 4.568 -4.076 -4.636 1.00 0.00 O ATOM 1288 CB THR A 80 5.363 -6.483 -2.510 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.395 -6.566 -3.499 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.087 -7.867 -1.941 1.00 0.00 C ATOM 0 H THR A 80 4.111 -6.349 -5.170 1.00 0.00 H new ATOM 0 HA THR A 80 3.277 -5.941 -2.402 1.00 0.00 H new ATOM 0 HB THR A 80 5.689 -5.832 -1.699 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.203 -6.948 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.002 -8.272 -1.510 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.322 -7.797 -1.168 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.739 -8.525 -2.737 1.00 0.00 H new ATOM 1298 N PHE A 81 4.316 -3.561 -2.461 1.00 0.00 N ATOM 1299 CA PHE A 81 4.547 -2.135 -2.659 1.00 0.00 C ATOM 1300 C PHE A 81 5.313 -1.539 -1.481 1.00 0.00 C ATOM 1301 O PHE A 81 4.942 -1.735 -0.324 1.00 0.00 O ATOM 1302 CB PHE A 81 3.216 -1.401 -2.839 1.00 0.00 C ATOM 1303 CG PHE A 81 2.556 -1.674 -4.160 1.00 0.00 C ATOM 1304 CD1 PHE A 81 2.039 -2.927 -4.446 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.453 -0.677 -5.117 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.430 -3.181 -5.661 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.845 -0.925 -6.333 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.334 -2.179 -6.606 1.00 0.00 C ATOM 0 H PHE A 81 4.134 -3.828 -1.494 1.00 0.00 H new ATOM 0 HA PHE A 81 5.147 -2.012 -3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.538 -1.692 -2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.385 -0.329 -2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.113 -3.715 -3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.852 0.305 -4.910 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.030 -4.162 -5.871 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.769 -0.139 -7.070 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.860 -2.375 -7.557 1.00 0.00 H new ATOM 1318 N GLU A 82 6.384 -0.813 -1.786 1.00 0.00 N ATOM 1319 CA GLU A 82 7.203 -0.190 -0.753 1.00 0.00 C ATOM 1320 C GLU A 82 7.072 1.330 -0.797 1.00 0.00 C ATOM 1321 O GLU A 82 7.337 1.957 -1.824 1.00 0.00 O ATOM 1322 CB GLU A 82 8.670 -0.591 -0.924 1.00 0.00 C ATOM 1323 CG GLU A 82 9.464 -0.557 0.371 1.00 0.00 C ATOM 1324 CD GLU A 82 10.711 -1.419 0.314 1.00 0.00 C ATOM 1325 OE1 GLU A 82 10.668 -2.482 -0.340 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.729 -1.029 0.923 1.00 0.00 O ATOM 0 H GLU A 82 6.704 -0.642 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 82 6.848 -0.540 0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.717 -1.596 -1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.139 0.078 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.748 0.472 0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.830 -0.896 1.190 1.00 0.00 H new ATOM 1333 N ILE A 83 6.660 1.915 0.322 1.00 0.00 N ATOM 1334 CA ILE A 83 6.494 3.360 0.412 1.00 0.00 C ATOM 1335 C ILE A 83 7.194 3.918 1.647 1.00 0.00 C ATOM 1336 O ILE A 83 7.355 3.222 2.649 1.00 0.00 O ATOM 1337 CB ILE A 83 5.006 3.754 0.457 1.00 0.00 C ATOM 1338 CG1 ILE A 83 4.266 3.172 -0.749 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.860 5.268 0.495 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.810 2.866 -0.474 1.00 0.00 C ATOM 0 H ILE A 83 6.435 1.410 1.179 1.00 0.00 H new ATOM 0 HA ILE A 83 6.947 3.786 -0.483 1.00 0.00 H new ATOM 0 HB ILE A 83 4.563 3.343 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.331 3.876 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.768 2.258 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.803 5.531 0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.358 5.659 1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.315 5.700 -0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.348 2.457 -1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.737 2.139 0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.294 3.782 -0.186 1.00 0.00 H new ATOM 1352 N SER A 84 7.605 5.180 1.568 1.00 0.00 N ATOM 1353 CA SER A 84 8.289 5.832 2.678 1.00 0.00 C ATOM 1354 C SER A 84 7.565 7.111 3.087 1.00 0.00 C ATOM 1355 O SER A 84 7.156 7.903 2.239 1.00 0.00 O ATOM 1356 CB SER A 84 9.736 6.151 2.297 1.00 0.00 C ATOM 1357 OG SER A 84 10.385 6.878 3.325 1.00 0.00 O ATOM 0 H SER A 84 7.476 5.771 0.747 1.00 0.00 H new ATOM 0 HA SER A 84 8.287 5.147 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.277 5.225 2.105 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.753 6.728 1.372 1.00 0.00 H new ATOM 0 HG SER A 84 10.541 7.798 3.026 1.00 0.00 H new ATOM 1363 N ALA A 85 7.410 7.305 4.392 1.00 0.00 N ATOM 1364 CA ALA A 85 6.737 8.487 4.915 1.00 0.00 C ATOM 1365 C ALA A 85 7.746 9.529 5.386 1.00 0.00 C ATOM 1366 O ALA A 85 8.877 9.197 5.739 1.00 0.00 O ATOM 1367 CB ALA A 85 5.801 8.104 6.051 1.00 0.00 C ATOM 0 H ALA A 85 7.742 6.658 5.107 1.00 0.00 H new ATOM 0 HA ALA A 85 6.149 8.926 4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.306 8.997 6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.052 7.402 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.374 7.638 6.853 1.00 0.00 H new ATOM 1373 N SER A 86 7.329 10.791 5.388 1.00 0.00 N ATOM 1374 CA SER A 86 8.198 11.883 5.812 1.00 0.00 C ATOM 1375 C SER A 86 8.074 12.124 7.314 1.00 0.00 C ATOM 1376 O SER A 86 9.076 12.230 8.021 1.00 0.00 O ATOM 1377 CB SER A 86 7.853 13.163 5.049 1.00 0.00 C ATOM 1378 OG SER A 86 8.905 14.109 5.139 1.00 0.00 O ATOM 0 H SER A 86 6.395 11.083 5.101 1.00 0.00 H new ATOM 0 HA SER A 86 9.228 11.602 5.590 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.661 12.926 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.936 13.594 5.451 1.00 0.00 H new ATOM 0 HG SER A 86 8.661 14.918 4.642 1.00 0.00 H new ATOM 1384 N ASP A 87 6.838 12.209 7.793 1.00 0.00 N ATOM 1385 CA ASP A 87 6.582 12.436 9.211 1.00 0.00 C ATOM 1386 C ASP A 87 6.081 11.162 9.883 1.00 0.00 C ATOM 1387 O ASP A 87 5.397 10.347 9.263 1.00 0.00 O ATOM 1388 CB ASP A 87 5.560 13.560 9.392 1.00 0.00 C ATOM 1389 CG ASP A 87 5.989 14.847 8.717 1.00 0.00 C ATOM 1390 OD1 ASP A 87 6.444 14.785 7.556 1.00 0.00 O ATOM 1391 OD2 ASP A 87 5.870 15.918 9.350 1.00 0.00 O ATOM 0 H ASP A 87 5.998 12.124 7.221 1.00 0.00 H new ATOM 0 HA ASP A 87 7.520 12.729 9.683 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.600 13.243 8.986 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.411 13.744 10.456 1.00 0.00 H new ATOM 1396 N LYS A 88 6.426 10.996 11.156 1.00 0.00 N ATOM 1397 CA LYS A 88 6.012 9.822 11.914 1.00 0.00 C ATOM 1398 C LYS A 88 4.496 9.661 11.883 1.00 0.00 C ATOM 1399 O LYS A 88 3.981 8.558 11.694 1.00 0.00 O ATOM 1400 CB LYS A 88 6.495 9.928 13.362 1.00 0.00 C ATOM 1401 CG LYS A 88 5.909 11.111 14.113 1.00 0.00 C ATOM 1402 CD LYS A 88 6.569 11.292 15.470 1.00 0.00 C ATOM 1403 CE LYS A 88 7.832 12.133 15.368 1.00 0.00 C ATOM 1404 NZ LYS A 88 8.444 12.380 16.703 1.00 0.00 N ATOM 0 H LYS A 88 6.992 11.661 11.684 1.00 0.00 H new ATOM 0 HA LYS A 88 6.462 8.944 11.451 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.238 9.010 13.890 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.582 10.006 13.369 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.036 12.018 13.522 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.837 10.964 14.245 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.868 11.768 16.156 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.813 10.316 15.890 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.554 11.628 14.726 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.596 13.086 14.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.302 12.957 16.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.765 12.884 17.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.693 11.472 17.144 1.00 0.00 H new ATOM 1418 N LYS A 89 3.784 10.767 12.070 1.00 0.00 N ATOM 1419 CA LYS A 89 2.326 10.751 12.061 1.00 0.00 C ATOM 1420 C LYS A 89 1.797 10.177 10.750 1.00 0.00 C ATOM 1421 O LYS A 89 0.810 9.440 10.737 1.00 0.00 O ATOM 1422 CB LYS A 89 1.778 12.164 12.269 1.00 0.00 C ATOM 1423 CG LYS A 89 0.373 12.194 12.844 1.00 0.00 C ATOM 1424 CD LYS A 89 0.055 13.540 13.471 1.00 0.00 C ATOM 1425 CE LYS A 89 -1.443 13.805 13.494 1.00 0.00 C ATOM 1426 NZ LYS A 89 -2.012 13.892 12.121 1.00 0.00 N ATOM 0 H LYS A 89 4.194 11.687 12.230 1.00 0.00 H new ATOM 0 HA LYS A 89 1.990 10.114 12.879 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.446 12.709 12.936 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.782 12.690 11.314 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.348 11.980 12.055 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.269 11.409 13.593 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.446 13.570 14.488 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.557 14.330 12.913 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.944 13.009 14.045 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.639 14.735 14.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.501 14.803 12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.245 13.819 11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.688 13.115 11.976 1.00 0.00 H new ATOM 1440 N LYS A 90 2.459 10.517 9.650 1.00 0.00 N ATOM 1441 CA LYS A 90 2.057 10.034 8.334 1.00 0.00 C ATOM 1442 C LYS A 90 2.168 8.515 8.256 1.00 0.00 C ATOM 1443 O LYS A 90 1.185 7.823 7.989 1.00 0.00 O ATOM 1444 CB LYS A 90 2.922 10.676 7.247 1.00 0.00 C ATOM 1445 CG LYS A 90 2.445 12.056 6.827 1.00 0.00 C ATOM 1446 CD LYS A 90 2.799 12.351 5.379 1.00 0.00 C ATOM 1447 CE LYS A 90 1.932 11.550 4.419 1.00 0.00 C ATOM 1448 NZ LYS A 90 1.873 12.177 3.070 1.00 0.00 N ATOM 0 H LYS A 90 3.277 11.126 9.643 1.00 0.00 H new ATOM 0 HA LYS A 90 1.016 10.314 8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.948 10.749 7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.936 10.024 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.365 12.125 6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.895 12.810 7.473 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.674 13.416 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.849 12.116 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.326 10.538 4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.924 11.465 4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.273 11.601 2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.473 13.134 3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.832 12.235 2.672 1.00 0.00 H new ATOM 1462 N LYS A 91 3.371 8.001 8.491 1.00 0.00 N ATOM 1463 CA LYS A 91 3.611 6.563 8.450 1.00 0.00 C ATOM 1464 C LYS A 91 2.533 5.810 9.223 1.00 0.00 C ATOM 1465 O LYS A 91 1.825 4.974 8.663 1.00 0.00 O ATOM 1466 CB LYS A 91 4.990 6.239 9.028 1.00 0.00 C ATOM 1467 CG LYS A 91 5.311 4.754 9.039 1.00 0.00 C ATOM 1468 CD LYS A 91 4.712 4.063 10.252 1.00 0.00 C ATOM 1469 CE LYS A 91 5.534 2.851 10.665 1.00 0.00 C ATOM 1470 NZ LYS A 91 5.088 2.299 11.974 1.00 0.00 N ATOM 0 H LYS A 91 4.195 8.559 8.712 1.00 0.00 H new ATOM 0 HA LYS A 91 3.577 6.243 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.750 6.762 8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.047 6.622 10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.928 4.291 8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.392 4.614 9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.657 4.767 11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.691 3.753 10.028 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.454 2.080 9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.586 3.130 10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.805 1.638 12.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.961 3.076 12.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.186 1.797 11.850 1.00 0.00 H new ATOM 1484 N GLN A 92 2.416 6.112 10.512 1.00 0.00 N ATOM 1485 CA GLN A 92 1.424 5.463 11.361 1.00 0.00 C ATOM 1486 C GLN A 92 0.022 5.626 10.783 1.00 0.00 C ATOM 1487 O GLN A 92 -0.659 4.642 10.497 1.00 0.00 O ATOM 1488 CB GLN A 92 1.475 6.042 12.776 1.00 0.00 C ATOM 1489 CG GLN A 92 0.335 5.575 13.667 1.00 0.00 C ATOM 1490 CD GLN A 92 0.356 6.230 15.034 1.00 0.00 C ATOM 1491 OE1 GLN A 92 1.421 6.534 15.572 1.00 0.00 O ATOM 1492 NE2 GLN A 92 -0.823 6.451 15.603 1.00 0.00 N ATOM 0 H GLN A 92 2.995 6.801 10.991 1.00 0.00 H new ATOM 0 HA GLN A 92 1.659 4.399 11.402 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.423 5.766 13.238 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.455 7.130 12.715 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.615 5.793 13.179 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.392 4.493 13.786 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.681 6.183 15.120 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.871 6.889 16.523 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.402 6.875 10.615 1.00 0.00 N ATOM 1502 CA GLU A 93 -1.724 7.165 10.071 1.00 0.00 C ATOM 1503 C GLU A 93 -2.015 6.292 8.854 1.00 0.00 C ATOM 1504 O GLU A 93 -2.978 5.525 8.844 1.00 0.00 O ATOM 1505 CB GLU A 93 -1.829 8.643 9.690 1.00 0.00 C ATOM 1506 CG GLU A 93 -1.970 9.571 10.885 1.00 0.00 C ATOM 1507 CD GLU A 93 -3.414 9.764 11.307 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -4.309 9.610 10.449 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -3.649 10.069 12.495 1.00 0.00 O ATOM 0 H GLU A 93 0.150 7.701 10.847 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.463 6.942 10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.943 8.927 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.687 8.780 9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.401 9.167 11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.534 10.540 10.641 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.178 6.416 7.831 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.346 5.640 6.608 1.00 0.00 C ATOM 1518 C TRP A 94 -1.612 4.173 6.926 1.00 0.00 C ATOM 1519 O TRP A 94 -2.674 3.641 6.602 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.103 5.765 5.725 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.153 6.936 4.791 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.406 8.167 4.988 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.800 6.987 3.515 1.00 0.00 C ATOM 1524 NE1 TRP A 94 0.146 8.979 3.912 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.592 8.279 2.993 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.533 6.067 2.760 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.091 8.671 1.754 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.028 6.458 1.531 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.805 7.750 1.037 1.00 0.00 C ATOM 0 H TRP A 94 -0.376 7.046 7.824 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.207 6.038 6.071 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.778 5.854 6.361 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.014 4.850 5.144 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.970 8.459 5.862 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.452 9.947 3.812 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.709 5.068 3.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -0.921 9.667 1.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.597 5.755 0.940 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.204 8.024 0.072 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.642 3.525 7.563 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.774 2.119 7.927 1.00 0.00 C ATOM 1542 C ILE A 95 -2.101 1.856 8.631 1.00 0.00 C ATOM 1543 O ILE A 95 -2.832 0.933 8.272 1.00 0.00 O ATOM 1544 CB ILE A 95 0.379 1.663 8.840 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.721 1.824 8.123 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.173 0.219 9.273 1.00 0.00 C ATOM 1547 CD1 ILE A 95 2.875 1.168 8.848 1.00 0.00 C ATOM 0 H ILE A 95 0.243 3.951 7.838 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.738 1.548 6.999 1.00 0.00 H new ATOM 0 HB ILE A 95 0.387 2.291 9.731 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.642 1.399 7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.935 2.886 8.003 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.996 -0.088 9.918 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.767 0.133 9.819 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.142 -0.424 8.393 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.794 1.322 8.283 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.980 1.609 9.839 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.683 0.099 8.945 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.405 2.673 9.633 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.645 2.529 10.387 1.00 0.00 C ATOM 1561 C GLN A 96 -4.855 2.591 9.461 1.00 0.00 C ATOM 1562 O GLN A 96 -5.795 1.809 9.600 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.748 3.620 11.454 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.145 3.221 12.792 1.00 0.00 C ATOM 1565 CD GLN A 96 -4.158 2.584 13.722 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -4.598 1.378 13.382 1.00 0.00 O flip ATOM 1567 NE2 GLN A 96 -4.541 3.169 14.736 1.00 0.00 N flip ATOM 0 H GLN A 96 -1.810 3.442 9.942 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.633 1.554 10.875 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.248 4.518 11.093 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.797 3.876 11.600 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.324 2.524 12.623 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.721 4.103 13.272 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.176 4.095 14.959 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.223 2.727 15.353 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.825 3.526 8.518 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.919 3.689 7.568 1.00 0.00 C ATOM 1578 C ALA A 97 -6.032 2.479 6.648 1.00 0.00 C ATOM 1579 O ALA A 97 -7.085 1.846 6.566 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.725 4.959 6.752 1.00 0.00 C ATOM 0 H ALA A 97 -4.055 4.183 8.391 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.848 3.771 8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.549 5.068 6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.702 5.820 7.419 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.784 4.899 6.204 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.942 2.163 5.957 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.920 1.028 5.043 1.00 0.00 C ATOM 1588 C ILE A 98 -5.335 -0.257 5.752 1.00 0.00 C ATOM 1589 O ILE A 98 -6.209 -0.985 5.279 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.523 0.831 4.424 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -3.052 2.123 3.753 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.545 -0.315 3.423 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.550 2.207 3.591 1.00 0.00 C ATOM 0 H ILE A 98 -4.063 2.677 6.013 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.633 1.249 4.249 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.821 0.580 5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.520 2.205 2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.394 2.974 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.551 -0.442 2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.843 -1.234 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.257 -0.091 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.288 3.149 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.075 2.157 4.571 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.203 1.376 2.977 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.704 -0.529 6.890 1.00 0.00 N ATOM 1606 CA HIS A 99 -5.010 -1.725 7.666 1.00 0.00 C ATOM 1607 C HIS A 99 -6.513 -1.856 7.894 1.00 0.00 C ATOM 1608 O HIS A 99 -7.099 -2.910 7.646 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.280 -1.688 9.009 1.00 0.00 C ATOM 1610 CG HIS A 99 -4.021 -3.044 9.588 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.912 -3.337 10.354 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.737 -4.191 9.512 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -2.956 -4.605 10.722 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -4.053 -5.146 10.224 1.00 0.00 N ATOM 0 H HIS A 99 -3.978 0.062 7.295 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.670 -2.592 7.100 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.330 -1.169 8.882 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.869 -1.106 9.718 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.672 -4.329 8.989 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.220 -5.113 11.327 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.345 -6.115 10.348 1.00 0.00 H new ATOM 1623 N SER A 100 -7.130 -0.779 8.368 1.00 0.00 N ATOM 1624 CA SER A 100 -8.564 -0.774 8.633 1.00 0.00 C ATOM 1625 C SER A 100 -9.356 -0.990 7.347 1.00 0.00 C ATOM 1626 O SER A 100 -10.328 -1.746 7.320 1.00 0.00 O ATOM 1627 CB SER A 100 -8.980 0.545 9.286 1.00 0.00 C ATOM 1628 OG SER A 100 -8.224 0.795 10.459 1.00 0.00 O ATOM 0 H SER A 100 -6.660 0.102 8.577 1.00 0.00 H new ATOM 0 HA SER A 100 -8.784 -1.594 9.316 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.842 1.363 8.579 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.041 0.513 9.533 1.00 0.00 H new ATOM 0 HG SER A 100 -7.353 1.171 10.213 1.00 0.00 H new ATOM 1634 N THR A 101 -8.932 -0.320 6.280 1.00 0.00 N ATOM 1635 CA THR A 101 -9.600 -0.435 4.990 1.00 0.00 C ATOM 1636 C THR A 101 -9.787 -1.896 4.596 1.00 0.00 C ATOM 1637 O THR A 101 -10.879 -2.309 4.204 1.00 0.00 O ATOM 1638 CB THR A 101 -8.811 0.286 3.881 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.761 1.692 4.152 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.449 0.049 2.521 1.00 0.00 C ATOM 0 H THR A 101 -8.128 0.308 6.284 1.00 0.00 H new ATOM 0 HA THR A 101 -10.576 0.038 5.097 1.00 0.00 H new ATOM 0 HB THR A 101 -7.799 -0.117 3.864 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.232 1.851 4.961 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.874 0.568 1.754 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.460 -1.019 2.305 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.471 0.428 2.527 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.715 -2.674 4.704 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.762 -4.090 4.361 1.00 0.00 C ATOM 1650 C ILE A 102 -9.754 -4.838 5.246 1.00 0.00 C ATOM 1651 O ILE A 102 -10.575 -5.615 4.757 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.376 -4.748 4.494 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.374 -4.072 3.555 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.466 -6.237 4.197 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.936 -4.219 3.999 1.00 0.00 C ATOM 0 H ILE A 102 -7.804 -2.348 5.026 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.087 -4.152 3.322 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.027 -4.622 5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.482 -4.495 2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.616 -3.012 3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.479 -6.688 4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.152 -6.708 4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.833 -6.384 3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.282 -3.716 3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.812 -3.771 4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.676 -5.276 4.046 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.673 -4.596 6.550 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.566 -5.245 7.504 1.00 0.00 C ATOM 1669 C HIS A 103 -12.000 -5.260 6.983 1.00 0.00 C ATOM 1670 O HIS A 103 -12.714 -6.253 7.129 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.510 -4.530 8.855 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.551 -4.999 9.824 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.899 -5.049 9.719 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -11.247 -5.487 11.077 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -13.381 -5.563 10.897 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -12.364 -5.820 11.700 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.999 -3.956 6.970 1.00 0.00 H new ATOM 0 HA HIS A 103 -10.234 -6.275 7.632 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.523 -4.678 9.294 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.631 -3.459 8.695 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.252 -5.582 11.486 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -14.422 -5.730 11.130 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -12.430 -6.209 12.641 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.415 -4.155 6.375 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.764 -4.040 5.832 1.00 0.00 C ATOM 1687 C LEU A 104 -14.038 -5.146 4.818 1.00 0.00 C ATOM 1688 O LEU A 104 -15.145 -5.684 4.754 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.957 -2.672 5.177 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.638 -1.458 6.050 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.454 -0.216 5.192 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.736 -1.239 7.081 1.00 0.00 C ATOM 0 H LEU A 104 -11.837 -3.325 6.245 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.471 -4.144 6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.332 -2.627 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -14.992 -2.593 4.845 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.704 -1.650 6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.228 0.637 5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.632 -0.375 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.370 -0.019 4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.492 -0.371 7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.685 -1.069 6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.819 -2.120 7.717 1.00 0.00 H new ATOM 1704 N LEU A 105 -13.024 -5.482 4.028 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.155 -6.526 3.018 1.00 0.00 C ATOM 1706 C LEU A 105 -13.336 -7.894 3.668 1.00 0.00 C ATOM 1707 O LEU A 105 -14.046 -8.753 3.145 1.00 0.00 O ATOM 1708 CB LEU A 105 -11.925 -6.539 2.108 1.00 0.00 C ATOM 1709 CG LEU A 105 -11.920 -5.517 0.970 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.501 -5.263 0.488 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -12.799 -5.993 -0.177 1.00 0.00 C ATOM 0 H LEU A 105 -12.102 -5.047 4.067 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.040 -6.310 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.041 -6.372 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.829 -7.535 1.675 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.326 -4.579 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.517 -4.533 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.900 -4.878 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.067 -6.196 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.784 -5.254 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.422 -6.944 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.821 -6.123 0.178 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.690 -8.089 4.813 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.781 -9.350 5.538 1.00 0.00 C ATOM 1725 C LYS A 106 -14.233 -9.685 5.866 1.00 0.00 C ATOM 1726 O LYS A 106 -14.676 -10.820 5.682 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.958 -9.282 6.826 1.00 0.00 C ATOM 1728 CG LYS A 106 -10.458 -9.277 6.590 1.00 0.00 C ATOM 1729 CD LYS A 106 -9.688 -9.184 7.897 1.00 0.00 C ATOM 1730 CE LYS A 106 -8.310 -8.574 7.689 1.00 0.00 C ATOM 1731 NZ LYS A 106 -7.664 -8.211 8.981 1.00 0.00 N ATOM 0 H LYS A 106 -12.097 -7.389 5.259 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.380 -10.137 4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.234 -8.382 7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.215 -10.133 7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.169 -10.185 6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.192 -8.436 5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.250 -8.581 8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.585 -10.178 8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.677 -9.281 7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.397 -7.685 7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.727 -7.799 8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.255 -7.517 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.558 -9.063 9.568 1.00 0.00 H new