USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 94 MET CE :methyl 141:sc= -0.646 (180deg=-0.471) USER MOD Set 1.2: A 105 CYS SG : rot -29:sc= -3.14! USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= -0.378 (180deg=-0.874) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -25:sc= 0.82 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 25 ASN : amide:sc= -0.619 K(o=-0.62,f=-4.5!) USER MOD Single : A 27 LYS NZ :NH3+ 150:sc= -0.279 (180deg=-1.21!) USER MOD Single : A 29 CYS SG : rot -63:sc= -0.7 USER MOD Single : A 34 TYR OH : rot 96:sc= 0.87 USER MOD Single : A 35 SER OG : rot 180:sc= -1.19 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0846 USER MOD Single : A 37 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.0012) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.935 F(o=-3.3!,f=-0.94) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -3.29! USER MOD Single : A 46 GLN :FLIP amide:sc= -0.493 F(o=-2,f=-0.49) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0941 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0736 USER MOD Single : A 82 SER OG : rot 180:sc= 0.11 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 176:sc= 0.411 (180deg=0.326) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.605 F(o=-3.4!,f=-0.6) USER MOD Single : A 104 CYS SG : rot -53:sc= -0.641 USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -4.144 8.080 -8.835 1.00 0.00 N ATOM 113 CA LYS A 9 -2.812 7.510 -8.633 1.00 0.00 C ATOM 114 C LYS A 9 -2.504 7.283 -7.152 1.00 0.00 C ATOM 115 O LYS A 9 -2.112 8.207 -6.433 1.00 0.00 O ATOM 116 CB LYS A 9 -1.750 8.426 -9.245 1.00 0.00 C ATOM 117 CG LYS A 9 -0.763 7.699 -10.148 1.00 0.00 C ATOM 118 CD LYS A 9 0.167 6.801 -9.349 1.00 0.00 C ATOM 119 CE LYS A 9 0.957 5.867 -10.254 1.00 0.00 C ATOM 120 NZ LYS A 9 0.144 5.390 -11.408 1.00 0.00 N ATOM 0 HA LYS A 9 -2.794 6.540 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.245 9.209 -9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.201 8.918 -8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.309 7.101 -10.878 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.176 8.427 -10.707 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.856 7.414 -8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.415 6.214 -8.638 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.843 6.383 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.305 5.010 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.570 4.525 -11.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.825 5.185 -11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.119 6.126 -12.143 1.00 0.00 H new ATOM 134 N ALA A 10 -2.695 6.048 -6.701 1.00 0.00 N ATOM 135 CA ALA A 10 -2.446 5.701 -5.309 1.00 0.00 C ATOM 136 C ALA A 10 -0.963 5.480 -5.047 1.00 0.00 C ATOM 137 O ALA A 10 -0.453 4.372 -5.212 1.00 0.00 O ATOM 138 CB ALA A 10 -3.242 4.463 -4.925 1.00 0.00 C ATOM 0 H ALA A 10 -3.021 5.273 -7.279 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.771 6.538 -4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.047 4.214 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.306 4.659 -5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.944 3.628 -5.559 1.00 0.00 H new ATOM 144 N ILE A 11 -0.270 6.537 -4.631 1.00 0.00 N ATOM 145 CA ILE A 11 1.159 6.449 -4.344 1.00 0.00 C ATOM 146 C ILE A 11 1.416 6.353 -2.844 1.00 0.00 C ATOM 147 O ILE A 11 1.181 7.306 -2.101 1.00 0.00 O ATOM 148 CB ILE A 11 1.925 7.668 -4.903 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.699 7.793 -6.408 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.411 7.550 -4.593 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.404 9.207 -6.858 1.00 0.00 C ATOM 0 H ILE A 11 -0.674 7.462 -4.485 1.00 0.00 H new ATOM 0 HA ILE A 11 1.520 5.544 -4.833 1.00 0.00 H new ATOM 0 HB ILE A 11 1.544 8.568 -4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.584 7.430 -6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.870 7.147 -6.698 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.936 8.417 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.555 7.506 -3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.807 6.643 -5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.254 9.221 -7.938 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.502 9.566 -6.362 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.243 9.854 -6.599 1.00 0.00 H new ATOM 163 N PHE A 12 1.908 5.198 -2.407 1.00 0.00 N ATOM 164 CA PHE A 12 2.208 4.973 -0.998 1.00 0.00 C ATOM 165 C PHE A 12 3.700 4.712 -0.811 1.00 0.00 C ATOM 166 O PHE A 12 4.205 3.659 -1.198 1.00 0.00 O ATOM 167 CB PHE A 12 1.409 3.780 -0.468 1.00 0.00 C ATOM 168 CG PHE A 12 0.039 4.135 0.040 1.00 0.00 C ATOM 169 CD1 PHE A 12 -0.976 4.477 -0.839 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.233 4.121 1.398 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.235 4.800 -0.370 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.489 4.441 1.873 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.494 4.781 0.987 1.00 0.00 C ATOM 0 H PHE A 12 2.108 4.401 -3.011 1.00 0.00 H new ATOM 0 HA PHE A 12 1.928 5.866 -0.440 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.310 3.041 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.972 3.308 0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.781 4.491 -1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.548 3.856 2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.017 5.068 -1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.686 4.426 2.935 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.478 5.031 1.354 1.00 0.00 H new ATOM 183 N THR A 13 4.405 5.668 -0.214 1.00 0.00 N ATOM 184 CA THR A 13 5.838 5.519 0.015 1.00 0.00 C ATOM 185 C THR A 13 6.122 5.059 1.439 1.00 0.00 C ATOM 186 O THR A 13 5.731 5.714 2.400 1.00 0.00 O ATOM 187 CB THR A 13 6.599 6.828 -0.248 1.00 0.00 C ATOM 188 OG1 THR A 13 6.209 7.379 -1.511 1.00 0.00 O ATOM 189 CG2 THR A 13 8.098 6.577 -0.236 1.00 0.00 C ATOM 0 H THR A 13 4.011 6.548 0.118 1.00 0.00 H new ATOM 0 HA THR A 13 6.187 4.763 -0.689 1.00 0.00 H new ATOM 0 HB THR A 13 6.353 7.538 0.542 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.698 8.214 -1.669 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.625 7.512 -0.424 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.393 6.183 0.736 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.352 5.855 -1.012 1.00 0.00 H new ATOM 197 N VAL A 14 6.799 3.920 1.559 1.00 0.00 N ATOM 198 CA VAL A 14 7.134 3.352 2.862 1.00 0.00 C ATOM 199 C VAL A 14 8.533 2.737 2.845 1.00 0.00 C ATOM 200 O VAL A 14 9.177 2.680 1.801 1.00 0.00 O ATOM 201 CB VAL A 14 6.111 2.268 3.284 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.740 2.564 2.706 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.571 0.879 2.856 1.00 0.00 C ATOM 0 H VAL A 14 7.128 3.370 0.765 1.00 0.00 H new ATOM 0 HA VAL A 14 7.105 4.168 3.584 1.00 0.00 H new ATOM 0 HB VAL A 14 6.043 2.287 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.039 1.789 3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.394 3.532 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.800 2.584 1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.833 0.140 3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.680 0.850 1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.529 0.653 3.324 1.00 0.00 H new ATOM 213 N ASP A 15 8.985 2.264 4.004 1.00 0.00 N ATOM 214 CA ASP A 15 10.293 1.627 4.115 1.00 0.00 C ATOM 215 C ASP A 15 10.133 0.114 3.997 1.00 0.00 C ATOM 216 O ASP A 15 9.043 -0.411 4.208 1.00 0.00 O ATOM 217 CB ASP A 15 10.951 1.982 5.450 1.00 0.00 C ATOM 218 CG ASP A 15 11.203 3.472 5.593 1.00 0.00 C ATOM 219 OD1 ASP A 15 11.360 4.151 4.558 1.00 0.00 O ATOM 220 OD2 ASP A 15 11.239 3.957 6.743 1.00 0.00 O ATOM 0 H ASP A 15 8.464 2.310 4.880 1.00 0.00 H new ATOM 0 HA ASP A 15 10.933 1.989 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.314 1.644 6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.896 1.446 5.540 1.00 0.00 H new ATOM 225 N ALA A 16 11.199 -0.592 3.647 1.00 0.00 N ATOM 226 CA ALA A 16 11.117 -2.041 3.501 1.00 0.00 C ATOM 227 C ALA A 16 11.439 -2.755 4.801 1.00 0.00 C ATOM 228 O ALA A 16 11.057 -3.910 4.993 1.00 0.00 O ATOM 229 CB ALA A 16 12.031 -2.518 2.382 1.00 0.00 C ATOM 0 H ALA A 16 12.119 -0.193 3.461 1.00 0.00 H new ATOM 0 HA ALA A 16 10.088 -2.289 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.956 -3.601 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.732 -2.051 1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.061 -2.244 2.611 1.00 0.00 H new ATOM 235 N LYS A 17 12.123 -2.066 5.699 1.00 0.00 N ATOM 236 CA LYS A 17 12.465 -2.652 6.982 1.00 0.00 C ATOM 237 C LYS A 17 11.211 -2.797 7.835 1.00 0.00 C ATOM 238 O LYS A 17 10.789 -3.908 8.159 1.00 0.00 O ATOM 239 CB LYS A 17 13.498 -1.788 7.706 1.00 0.00 C ATOM 240 CG LYS A 17 14.039 -2.424 8.975 1.00 0.00 C ATOM 241 CD LYS A 17 15.153 -1.589 9.587 1.00 0.00 C ATOM 242 CE LYS A 17 14.625 -0.664 10.670 1.00 0.00 C ATOM 243 NZ LYS A 17 15.458 -0.720 11.904 1.00 0.00 N ATOM 0 H LYS A 17 12.449 -1.109 5.565 1.00 0.00 H new ATOM 0 HA LYS A 17 12.897 -3.638 6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.328 -1.584 7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.046 -0.828 7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.231 -2.540 9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.413 -3.423 8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.913 -2.247 10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.637 -1.000 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.602 0.359 10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.598 -0.938 10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.064 -0.075 12.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.460 -1.691 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.432 -0.434 11.679 1.00 0.00 H new ATOM 257 N THR A 18 10.637 -1.662 8.217 1.00 0.00 N ATOM 258 CA THR A 18 9.449 -1.673 9.059 1.00 0.00 C ATOM 259 C THR A 18 8.179 -1.245 8.335 1.00 0.00 C ATOM 260 O THR A 18 7.091 -1.310 8.907 1.00 0.00 O ATOM 261 CB THR A 18 9.636 -0.805 10.317 1.00 0.00 C ATOM 262 OG1 THR A 18 8.489 -0.917 11.167 1.00 0.00 O ATOM 263 CG2 THR A 18 9.855 0.654 9.943 1.00 0.00 C ATOM 0 H THR A 18 10.971 -0.733 7.960 1.00 0.00 H new ATOM 0 HA THR A 18 9.322 -2.716 9.349 1.00 0.00 H new ATOM 0 HB THR A 18 10.518 -1.164 10.848 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.706 -1.161 10.630 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.984 1.246 10.849 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.747 0.741 9.322 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.991 1.021 9.390 1.00 0.00 H new ATOM 271 N THR A 19 8.319 -0.791 7.099 1.00 0.00 N ATOM 272 CA THR A 19 7.172 -0.335 6.313 1.00 0.00 C ATOM 273 C THR A 19 6.732 1.055 6.775 1.00 0.00 C ATOM 274 O THR A 19 7.501 2.009 6.670 1.00 0.00 O ATOM 275 CB THR A 19 5.988 -1.324 6.393 1.00 0.00 C ATOM 276 OG1 THR A 19 6.475 -2.671 6.420 1.00 0.00 O ATOM 277 CG2 THR A 19 5.047 -1.148 5.211 1.00 0.00 C ATOM 0 H THR A 19 9.214 -0.727 6.614 1.00 0.00 H new ATOM 0 HA THR A 19 7.488 -0.285 5.271 1.00 0.00 H new ATOM 0 HB THR A 19 5.436 -1.115 7.310 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.718 -3.291 6.472 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.223 -1.857 5.293 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.653 -0.132 5.208 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.590 -1.329 4.283 1.00 0.00 H new ATOM 285 N GLU A 20 5.507 1.168 7.291 1.00 0.00 N ATOM 286 CA GLU A 20 4.988 2.448 7.771 1.00 0.00 C ATOM 287 C GLU A 20 5.019 3.502 6.666 1.00 0.00 C ATOM 288 O GLU A 20 6.084 3.999 6.297 1.00 0.00 O ATOM 289 CB GLU A 20 5.795 2.931 8.977 1.00 0.00 C ATOM 290 CG GLU A 20 5.285 2.393 10.303 1.00 0.00 C ATOM 291 CD GLU A 20 6.383 2.250 11.339 1.00 0.00 C ATOM 292 OE1 GLU A 20 7.356 3.032 11.286 1.00 0.00 O ATOM 293 OE2 GLU A 20 6.268 1.355 12.204 1.00 0.00 O ATOM 0 H GLU A 20 4.857 0.388 7.387 1.00 0.00 H new ATOM 0 HA GLU A 20 3.951 2.298 8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.836 2.634 8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.775 4.020 9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.513 3.059 10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.816 1.422 10.140 1.00 0.00 H new ATOM 300 N ILE A 21 3.847 3.831 6.136 1.00 0.00 N ATOM 301 CA ILE A 21 3.741 4.816 5.065 1.00 0.00 C ATOM 302 C ILE A 21 4.393 6.146 5.435 1.00 0.00 C ATOM 303 O ILE A 21 3.827 6.936 6.191 1.00 0.00 O ATOM 304 CB ILE A 21 2.276 5.089 4.677 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.402 3.862 4.949 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.191 5.485 3.213 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.340 4.100 6.000 1.00 0.00 C ATOM 0 H ILE A 21 2.956 3.430 6.430 1.00 0.00 H new ATOM 0 HA ILE A 21 4.269 4.379 4.217 1.00 0.00 H new ATOM 0 HB ILE A 21 1.905 5.911 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.921 3.555 4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.038 3.036 5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.151 5.676 2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.780 6.387 3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.581 4.677 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.242 3.189 6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.815 4.378 6.941 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.319 4.905 5.675 1.00 0.00 H new ATOM 319 N LEU A 22 5.575 6.391 4.877 1.00 0.00 N ATOM 320 CA LEU A 22 6.295 7.634 5.124 1.00 0.00 C ATOM 321 C LEU A 22 5.421 8.825 4.753 1.00 0.00 C ATOM 322 O LEU A 22 5.458 9.867 5.410 1.00 0.00 O ATOM 323 CB LEU A 22 7.598 7.681 4.316 1.00 0.00 C ATOM 324 CG LEU A 22 8.354 6.355 4.199 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.634 6.544 3.402 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.663 5.793 5.581 1.00 0.00 C ATOM 0 H LEU A 22 6.054 5.744 4.251 1.00 0.00 H new ATOM 0 HA LEU A 22 6.541 7.679 6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.369 8.037 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.260 8.417 4.772 1.00 0.00 H new ATOM 0 HG LEU A 22 7.721 5.641 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.160 5.592 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.390 6.903 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.271 7.272 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.201 4.850 5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.278 6.503 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.732 5.623 6.121 1.00 0.00 H new ATOM 338 N VAL A 23 4.630 8.657 3.696 1.00 0.00 N ATOM 339 CA VAL A 23 3.732 9.708 3.227 1.00 0.00 C ATOM 340 C VAL A 23 2.884 9.225 2.050 1.00 0.00 C ATOM 341 O VAL A 23 3.266 8.302 1.332 1.00 0.00 O ATOM 342 CB VAL A 23 4.512 10.981 2.814 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.651 11.083 1.298 1.00 0.00 C ATOM 344 CG2 VAL A 23 3.838 12.222 3.376 1.00 0.00 C ATOM 0 H VAL A 23 4.593 7.799 3.146 1.00 0.00 H new ATOM 0 HA VAL A 23 3.075 9.957 4.060 1.00 0.00 H new ATOM 0 HB VAL A 23 5.516 10.909 3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.203 11.988 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.188 10.212 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.661 11.122 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.399 13.108 3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.820 12.289 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.811 12.160 4.464 1.00 0.00 H new ATOM 354 N ALA A 24 1.741 9.875 1.851 1.00 0.00 N ATOM 355 CA ALA A 24 0.842 9.541 0.752 1.00 0.00 C ATOM 356 C ALA A 24 0.248 10.814 0.163 1.00 0.00 C ATOM 357 O ALA A 24 0.054 11.800 0.872 1.00 0.00 O ATOM 358 CB ALA A 24 -0.257 8.594 1.219 1.00 0.00 C ATOM 0 H ALA A 24 1.415 10.641 2.441 1.00 0.00 H new ATOM 0 HA ALA A 24 1.412 9.030 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.915 8.359 0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.191 7.675 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.834 9.069 2.012 1.00 0.00 H new ATOM 364 N ASN A 25 -0.012 10.803 -1.136 1.00 0.00 N ATOM 365 CA ASN A 25 -0.552 11.978 -1.809 1.00 0.00 C ATOM 366 C ASN A 25 -2.076 12.010 -1.782 1.00 0.00 C ATOM 367 O ASN A 25 -2.721 11.182 -1.139 1.00 0.00 O ATOM 368 CB ASN A 25 -0.063 12.024 -3.257 1.00 0.00 C ATOM 369 CG ASN A 25 -0.693 10.936 -4.110 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.700 9.764 -3.734 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.228 11.322 -5.261 1.00 0.00 N ATOM 0 H ASN A 25 0.141 9.998 -1.744 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.193 12.853 -1.267 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.294 12.999 -3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.021 11.916 -3.276 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.668 10.636 -5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.199 12.305 -5.533 1.00 0.00 H new ATOM 378 N ASP A 26 -2.635 12.982 -2.499 1.00 0.00 N ATOM 379 CA ASP A 26 -4.081 13.142 -2.577 1.00 0.00 C ATOM 380 C ASP A 26 -4.708 11.911 -3.209 1.00 0.00 C ATOM 381 O ASP A 26 -5.382 11.145 -2.529 1.00 0.00 O ATOM 382 CB ASP A 26 -4.441 14.391 -3.382 1.00 0.00 C ATOM 383 CG ASP A 26 -4.024 15.669 -2.679 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.804 15.901 -2.544 1.00 0.00 O ATOM 385 OD2 ASP A 26 -4.917 16.439 -2.265 1.00 0.00 O ATOM 0 H ASP A 26 -2.106 13.670 -3.034 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.472 13.259 -1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.959 14.342 -4.359 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.517 14.410 -3.558 1.00 0.00 H new ATOM 390 N LYS A 27 -4.484 11.736 -4.512 1.00 0.00 N ATOM 391 CA LYS A 27 -5.033 10.596 -5.247 1.00 0.00 C ATOM 392 C LYS A 27 -5.116 9.361 -4.352 1.00 0.00 C ATOM 393 O LYS A 27 -6.211 8.897 -4.030 1.00 0.00 O ATOM 394 CB LYS A 27 -4.176 10.303 -6.479 1.00 0.00 C ATOM 395 CG LYS A 27 -3.726 11.549 -7.225 1.00 0.00 C ATOM 396 CD LYS A 27 -4.670 11.890 -8.365 1.00 0.00 C ATOM 397 CE LYS A 27 -5.846 12.728 -7.888 1.00 0.00 C ATOM 398 NZ LYS A 27 -5.400 13.947 -7.158 1.00 0.00 N ATOM 0 H LYS A 27 -3.925 12.371 -5.081 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.043 10.849 -5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.296 9.737 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.742 9.667 -7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.673 12.389 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.721 11.395 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.126 12.433 -9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.039 10.971 -8.820 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.455 13.020 -8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.480 12.126 -7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.099 14.706 -7.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.310 13.731 -6.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.479 14.256 -7.529 1.00 0.00 H new ATOM 412 N ALA A 28 -3.958 8.841 -3.942 1.00 0.00 N ATOM 413 CA ALA A 28 -3.906 7.671 -3.064 1.00 0.00 C ATOM 414 C ALA A 28 -4.895 7.793 -1.906 1.00 0.00 C ATOM 415 O ALA A 28 -5.806 6.977 -1.764 1.00 0.00 O ATOM 416 CB ALA A 28 -2.495 7.490 -2.524 1.00 0.00 C ATOM 0 H ALA A 28 -3.044 9.211 -4.204 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.187 6.798 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.464 6.617 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.803 7.347 -3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.205 8.376 -1.959 1.00 0.00 H new ATOM 422 N CYS A 29 -4.701 8.820 -1.082 1.00 0.00 N ATOM 423 CA CYS A 29 -5.567 9.061 0.066 1.00 0.00 C ATOM 424 C CYS A 29 -7.036 9.039 -0.345 1.00 0.00 C ATOM 425 O CYS A 29 -7.889 8.543 0.392 1.00 0.00 O ATOM 426 CB CYS A 29 -5.212 10.408 0.704 1.00 0.00 C ATOM 427 SG CYS A 29 -6.353 11.752 0.295 1.00 0.00 S ATOM 0 H CYS A 29 -3.948 9.500 -1.190 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.411 8.265 0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.185 10.288 1.787 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.208 10.692 0.390 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.324 11.971 -0.986 1.00 0.00 H new ATOM 433 N GLY A 30 -7.320 9.566 -1.534 1.00 0.00 N ATOM 434 CA GLY A 30 -8.682 9.584 -2.036 1.00 0.00 C ATOM 435 C GLY A 30 -9.232 8.182 -2.186 1.00 0.00 C ATOM 436 O GLY A 30 -10.386 7.917 -1.849 1.00 0.00 O ATOM 0 H GLY A 30 -6.629 9.981 -2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.315 10.154 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.710 10.093 -3.000 1.00 0.00 H new ATOM 440 N LEU A 31 -8.384 7.281 -2.679 1.00 0.00 N ATOM 441 CA LEU A 31 -8.762 5.886 -2.860 1.00 0.00 C ATOM 442 C LEU A 31 -9.388 5.360 -1.570 1.00 0.00 C ATOM 443 O LEU A 31 -10.525 4.889 -1.567 1.00 0.00 O ATOM 444 CB LEU A 31 -7.523 5.070 -3.263 1.00 0.00 C ATOM 445 CG LEU A 31 -7.681 3.544 -3.335 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.246 2.911 -2.025 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.108 3.140 -3.688 1.00 0.00 C ATOM 0 H LEU A 31 -7.427 7.496 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.501 5.793 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.190 5.422 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.726 5.294 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.037 3.177 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.362 1.829 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.201 3.153 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.862 3.296 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.179 2.053 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.792 3.520 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.375 3.558 -4.659 1.00 0.00 H new ATOM 459 N LEU A 32 -8.649 5.474 -0.469 1.00 0.00 N ATOM 460 CA LEU A 32 -9.159 5.036 0.829 1.00 0.00 C ATOM 461 C LEU A 32 -9.977 6.150 1.471 1.00 0.00 C ATOM 462 O LEU A 32 -11.206 6.173 1.372 1.00 0.00 O ATOM 463 CB LEU A 32 -8.038 4.650 1.798 1.00 0.00 C ATOM 464 CG LEU A 32 -6.805 3.978 1.204 1.00 0.00 C ATOM 465 CD1 LEU A 32 -5.906 4.996 0.520 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.051 3.262 2.308 1.00 0.00 C ATOM 0 H LEU A 32 -7.706 5.861 -0.448 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.774 4.156 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.714 5.552 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.457 3.982 2.551 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.121 3.257 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.034 4.491 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.457 5.487 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.582 5.741 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.168 2.779 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.746 3.983 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.697 2.509 2.761 1.00 0.00 H new ATOM 478 N GLY A 33 -9.276 7.066 2.133 1.00 0.00 N ATOM 479 CA GLY A 33 -9.930 8.179 2.796 1.00 0.00 C ATOM 480 C GLY A 33 -9.029 8.835 3.823 1.00 0.00 C ATOM 481 O GLY A 33 -9.502 9.457 4.774 1.00 0.00 O ATOM 0 H GLY A 33 -8.260 7.056 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.231 8.918 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.840 7.827 3.283 1.00 0.00 H new ATOM 485 N TYR A 34 -7.723 8.686 3.626 1.00 0.00 N ATOM 486 CA TYR A 34 -6.733 9.258 4.535 1.00 0.00 C ATOM 487 C TYR A 34 -6.039 10.457 3.890 1.00 0.00 C ATOM 488 O TYR A 34 -6.665 11.228 3.164 1.00 0.00 O ATOM 489 CB TYR A 34 -5.687 8.201 4.900 1.00 0.00 C ATOM 490 CG TYR A 34 -6.204 7.075 5.762 1.00 0.00 C ATOM 491 CD1 TYR A 34 -7.096 6.139 5.255 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.792 6.943 7.079 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.562 5.102 6.041 1.00 0.00 C ATOM 494 CE2 TYR A 34 -6.254 5.911 7.872 1.00 0.00 C ATOM 495 CZ TYR A 34 -7.140 4.995 7.348 1.00 0.00 C ATOM 496 OH TYR A 34 -7.602 3.965 8.135 1.00 0.00 O ATOM 0 H TYR A 34 -7.323 8.172 2.841 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.247 9.591 5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.280 7.780 3.981 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.862 8.689 5.419 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.430 6.223 4.232 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.098 7.660 7.492 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.253 4.380 5.633 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.923 5.822 8.896 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.953 3.231 8.128 1.00 0.00 H new ATOM 506 N SER A 35 -4.737 10.586 4.152 1.00 0.00 N ATOM 507 CA SER A 35 -3.923 11.662 3.598 1.00 0.00 C ATOM 508 C SER A 35 -2.513 11.601 4.168 1.00 0.00 C ATOM 509 O SER A 35 -2.261 10.895 5.143 1.00 0.00 O ATOM 510 CB SER A 35 -4.535 13.031 3.869 1.00 0.00 C ATOM 511 OG SER A 35 -4.665 13.274 5.259 1.00 0.00 O ATOM 0 H SER A 35 -4.220 9.946 4.755 1.00 0.00 H new ATOM 0 HA SER A 35 -3.884 11.522 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.913 13.805 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.514 13.094 3.394 1.00 0.00 H new ATOM 0 HG SER A 35 -5.059 14.160 5.401 1.00 0.00 H new ATOM 517 N SER A 36 -1.599 12.335 3.549 1.00 0.00 N ATOM 518 CA SER A 36 -0.206 12.361 3.983 1.00 0.00 C ATOM 519 C SER A 36 -0.081 12.542 5.495 1.00 0.00 C ATOM 520 O SER A 36 0.825 11.993 6.117 1.00 0.00 O ATOM 521 CB SER A 36 0.545 13.487 3.272 1.00 0.00 C ATOM 522 OG SER A 36 -0.356 14.426 2.708 1.00 0.00 O ATOM 0 H SER A 36 -1.797 12.924 2.740 1.00 0.00 H new ATOM 0 HA SER A 36 0.233 11.398 3.722 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.205 13.991 3.978 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.177 13.069 2.488 1.00 0.00 H new ATOM 0 HG SER A 36 0.150 15.136 2.261 1.00 0.00 H new ATOM 528 N GLN A 37 -0.979 13.329 6.079 1.00 0.00 N ATOM 529 CA GLN A 37 -0.947 13.592 7.516 1.00 0.00 C ATOM 530 C GLN A 37 -1.952 12.742 8.295 1.00 0.00 C ATOM 531 O GLN A 37 -1.938 12.734 9.526 1.00 0.00 O ATOM 532 CB GLN A 37 -1.215 15.076 7.783 1.00 0.00 C ATOM 533 CG GLN A 37 -2.583 15.543 7.313 1.00 0.00 C ATOM 534 CD GLN A 37 -2.777 17.038 7.478 1.00 0.00 C ATOM 535 OE1 GLN A 37 -3.789 17.490 8.013 1.00 0.00 O ATOM 536 NE2 GLN A 37 -1.803 17.814 7.016 1.00 0.00 N ATOM 0 H GLN A 37 -1.737 13.796 5.581 1.00 0.00 H new ATOM 0 HA GLN A 37 0.049 13.320 7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.123 15.266 8.852 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.448 15.670 7.287 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.713 15.277 6.264 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.355 15.016 7.874 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.981 17.396 6.579 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.877 18.828 7.098 1.00 0.00 H new ATOM 545 N ASP A 38 -2.836 12.047 7.585 1.00 0.00 N ATOM 546 CA ASP A 38 -3.852 11.226 8.244 1.00 0.00 C ATOM 547 C ASP A 38 -3.522 9.736 8.197 1.00 0.00 C ATOM 548 O ASP A 38 -4.206 8.930 8.828 1.00 0.00 O ATOM 549 CB ASP A 38 -5.220 11.465 7.601 1.00 0.00 C ATOM 550 CG ASP A 38 -5.885 12.732 8.100 1.00 0.00 C ATOM 551 OD1 ASP A 38 -5.161 13.710 8.384 1.00 0.00 O ATOM 552 OD2 ASP A 38 -7.129 12.749 8.205 1.00 0.00 O ATOM 0 H ASP A 38 -2.872 12.034 6.566 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.871 11.526 9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.104 11.522 6.519 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.868 10.613 7.807 1.00 0.00 H new ATOM 557 N LEU A 39 -2.489 9.362 7.451 1.00 0.00 N ATOM 558 CA LEU A 39 -2.113 7.956 7.343 1.00 0.00 C ATOM 559 C LEU A 39 -0.629 7.739 7.627 1.00 0.00 C ATOM 560 O LEU A 39 -0.176 6.600 7.756 1.00 0.00 O ATOM 561 CB LEU A 39 -2.469 7.418 5.953 1.00 0.00 C ATOM 562 CG LEU A 39 -1.707 8.057 4.791 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.489 7.225 4.430 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.620 8.219 3.585 1.00 0.00 C ATOM 0 H LEU A 39 -1.902 10.004 6.917 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.676 7.407 8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.286 6.344 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.537 7.561 5.788 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.366 9.045 5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.040 7.695 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.174 7.157 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.806 6.224 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.064 8.675 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.988 7.242 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.463 8.857 3.850 1.00 0.00 H new ATOM 576 N ILE A 40 0.125 8.827 7.726 1.00 0.00 N ATOM 577 CA ILE A 40 1.556 8.735 7.996 1.00 0.00 C ATOM 578 C ILE A 40 1.815 8.133 9.375 1.00 0.00 C ATOM 579 O ILE A 40 1.050 8.353 10.314 1.00 0.00 O ATOM 580 CB ILE A 40 2.239 10.117 7.905 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.766 9.975 8.007 1.00 0.00 C ATOM 582 CG2 ILE A 40 1.690 11.052 8.976 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.322 10.136 9.411 1.00 0.00 C ATOM 0 H ILE A 40 -0.227 9.779 7.624 1.00 0.00 H new ATOM 0 HA ILE A 40 1.982 8.083 7.234 1.00 0.00 H new ATOM 0 HB ILE A 40 2.015 10.556 6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.053 8.995 7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.231 10.717 7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.181 12.022 8.899 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.616 11.177 8.835 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.879 10.627 9.962 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.406 10.020 9.389 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.070 11.126 9.791 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.890 9.377 10.063 1.00 0.00 H new ATOM 595 N GLY A 41 2.901 7.374 9.487 1.00 0.00 N ATOM 596 CA GLY A 41 3.246 6.752 10.751 1.00 0.00 C ATOM 597 C GLY A 41 2.693 5.347 10.875 1.00 0.00 C ATOM 598 O GLY A 41 3.309 4.486 11.502 1.00 0.00 O ATOM 0 H GLY A 41 3.548 7.179 8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.331 6.723 10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.865 7.363 11.569 1.00 0.00 H new ATOM 602 N GLN A 42 1.533 5.114 10.271 1.00 0.00 N ATOM 603 CA GLN A 42 0.904 3.801 10.310 1.00 0.00 C ATOM 604 C GLN A 42 1.357 2.961 9.123 1.00 0.00 C ATOM 605 O GLN A 42 2.154 3.411 8.302 1.00 0.00 O ATOM 606 CB GLN A 42 -0.620 3.935 10.302 1.00 0.00 C ATOM 607 CG GLN A 42 -1.133 5.167 11.033 1.00 0.00 C ATOM 608 CD GLN A 42 -2.630 5.353 10.882 1.00 0.00 C ATOM 609 OE1 GLN A 42 -3.040 5.981 9.786 1.00 0.00 O flip ATOM 610 NE2 GLN A 42 -3.408 4.937 11.740 1.00 0.00 N flip ATOM 0 H GLN A 42 1.010 5.817 9.749 1.00 0.00 H new ATOM 0 HA GLN A 42 1.207 3.304 11.232 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.967 3.966 9.269 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.056 3.046 10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.886 5.086 12.091 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.621 6.051 10.652 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.048 4.460 12.567 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.413 5.069 11.625 1.00 0.00 H new ATOM 619 N LYS A 43 0.835 1.744 9.033 1.00 0.00 N ATOM 620 CA LYS A 43 1.178 0.844 7.939 1.00 0.00 C ATOM 621 C LYS A 43 0.022 0.751 6.954 1.00 0.00 C ATOM 622 O LYS A 43 -1.106 0.457 7.344 1.00 0.00 O ATOM 623 CB LYS A 43 1.524 -0.546 8.477 1.00 0.00 C ATOM 624 CG LYS A 43 2.693 -0.550 9.445 1.00 0.00 C ATOM 625 CD LYS A 43 2.223 -0.650 10.887 1.00 0.00 C ATOM 626 CE LYS A 43 2.995 -1.716 11.650 1.00 0.00 C ATOM 627 NZ LYS A 43 2.096 -2.566 12.481 1.00 0.00 N ATOM 0 H LYS A 43 0.172 1.357 9.705 1.00 0.00 H new ATOM 0 HA LYS A 43 2.051 1.244 7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.649 -0.961 8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.755 -1.204 7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.352 -1.388 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.278 0.360 9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.348 0.314 11.380 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.159 -0.884 10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.539 -2.344 10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.737 -1.239 12.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.661 -3.280 12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.595 -1.970 13.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.404 -3.042 11.868 1.00 0.00 H new ATOM 641 N LEU A 44 0.300 1.035 5.686 1.00 0.00 N ATOM 642 CA LEU A 44 -0.729 1.007 4.649 1.00 0.00 C ATOM 643 C LEU A 44 -1.612 -0.234 4.754 1.00 0.00 C ATOM 644 O LEU A 44 -2.833 -0.137 4.674 1.00 0.00 O ATOM 645 CB LEU A 44 -0.105 1.072 3.248 1.00 0.00 C ATOM 646 CG LEU A 44 1.389 0.754 3.151 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.645 -0.728 3.375 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.923 1.183 1.794 1.00 0.00 C ATOM 0 H LEU A 44 1.229 1.288 5.350 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.353 1.887 4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.644 0.379 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.268 2.073 2.848 1.00 0.00 H new ATOM 0 HG LEU A 44 1.911 1.308 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.714 -0.928 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.290 -1.013 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.114 -1.307 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.987 0.953 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.390 0.648 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.775 2.256 1.667 1.00 0.00 H new ATOM 660 N THR A 45 -0.984 -1.394 4.915 1.00 0.00 N ATOM 661 CA THR A 45 -1.699 -2.668 5.007 1.00 0.00 C ATOM 662 C THR A 45 -2.811 -2.650 6.048 1.00 0.00 C ATOM 663 O THR A 45 -3.771 -3.413 5.947 1.00 0.00 O ATOM 664 CB THR A 45 -0.730 -3.813 5.328 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.346 -3.762 6.707 1.00 0.00 O ATOM 666 CG2 THR A 45 0.501 -3.709 4.453 1.00 0.00 C ATOM 0 H THR A 45 0.030 -1.481 4.985 1.00 0.00 H new ATOM 0 HA THR A 45 -2.158 -2.828 4.031 1.00 0.00 H new ATOM 0 HB THR A 45 -1.231 -4.761 5.132 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.271 -4.498 6.902 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.184 -4.526 4.687 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.208 -3.770 3.405 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.998 -2.756 4.636 1.00 0.00 H new ATOM 674 N GLN A 46 -2.689 -1.777 7.039 1.00 0.00 N ATOM 675 CA GLN A 46 -3.704 -1.673 8.078 1.00 0.00 C ATOM 676 C GLN A 46 -5.035 -1.301 7.445 1.00 0.00 C ATOM 677 O GLN A 46 -6.102 -1.627 7.966 1.00 0.00 O ATOM 678 CB GLN A 46 -3.308 -0.629 9.122 1.00 0.00 C ATOM 679 CG GLN A 46 -2.787 -1.230 10.418 1.00 0.00 C ATOM 680 CD GLN A 46 -2.552 -0.187 11.493 1.00 0.00 C ATOM 681 OE1 GLN A 46 -1.831 0.872 11.142 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -3.015 -0.332 12.624 1.00 0.00 N flip ATOM 0 H GLN A 46 -1.903 -1.135 7.145 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.794 -2.636 8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.543 0.022 8.700 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.172 -0.003 9.343 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.500 -1.969 10.784 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.854 -1.758 10.220 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.563 -1.162 12.848 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.851 0.378 13.337 1.00 0.00 H new ATOM 691 N PHE A 47 -4.956 -0.609 6.317 1.00 0.00 N ATOM 692 CA PHE A 47 -6.142 -0.177 5.595 1.00 0.00 C ATOM 693 C PHE A 47 -6.335 -1.003 4.326 1.00 0.00 C ATOM 694 O PHE A 47 -6.809 -0.495 3.310 1.00 0.00 O ATOM 695 CB PHE A 47 -6.038 1.310 5.236 1.00 0.00 C ATOM 696 CG PHE A 47 -5.040 2.072 6.063 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.195 2.187 7.435 1.00 0.00 C ATOM 698 CD2 PHE A 47 -3.947 2.678 5.463 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.279 2.892 8.193 1.00 0.00 C ATOM 700 CE2 PHE A 47 -3.028 3.383 6.216 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.194 3.491 7.583 1.00 0.00 C ATOM 0 H PHE A 47 -4.076 -0.334 5.881 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.005 -0.327 6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.767 1.401 4.184 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.019 1.771 5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.041 1.721 7.918 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.812 2.598 4.394 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.412 2.974 9.262 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.180 3.849 5.736 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.477 4.042 8.173 1.00 0.00 H new ATOM 711 N PHE A 48 -5.966 -2.278 4.398 1.00 0.00 N ATOM 712 CA PHE A 48 -6.098 -3.190 3.264 1.00 0.00 C ATOM 713 C PHE A 48 -6.438 -4.595 3.747 1.00 0.00 C ATOM 714 O PHE A 48 -5.975 -5.014 4.806 1.00 0.00 O ATOM 715 CB PHE A 48 -4.807 -3.222 2.438 1.00 0.00 C ATOM 716 CG PHE A 48 -4.441 -1.894 1.834 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.301 -1.251 0.961 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.238 -1.290 2.144 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.969 -0.029 0.410 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.897 -0.068 1.598 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.763 0.564 0.730 1.00 0.00 C ATOM 0 H PHE A 48 -5.571 -2.706 5.235 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.908 -2.826 2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.988 -3.560 3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.915 -3.956 1.640 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.245 -1.711 0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.555 -1.780 2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.650 0.462 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.953 0.392 1.850 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.499 1.520 0.302 1.00 0.00 H new ATOM 731 N LEU A 49 -7.245 -5.303 2.950 1.00 0.00 N ATOM 732 CA LEU A 49 -7.683 -6.676 3.245 1.00 0.00 C ATOM 733 C LEU A 49 -7.414 -7.091 4.692 1.00 0.00 C ATOM 734 O LEU A 49 -6.307 -7.499 5.033 1.00 0.00 O ATOM 735 CB LEU A 49 -7.033 -7.692 2.283 1.00 0.00 C ATOM 736 CG LEU A 49 -5.676 -7.308 1.664 1.00 0.00 C ATOM 737 CD1 LEU A 49 -5.824 -6.138 0.702 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.646 -6.998 2.739 1.00 0.00 C ATOM 0 H LEU A 49 -7.617 -4.938 2.073 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.763 -6.680 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.905 -8.632 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.733 -7.883 1.470 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.318 -8.168 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.850 -5.889 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.508 -6.412 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.219 -5.275 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.699 -6.731 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.996 -6.166 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.503 -7.875 3.370 1.00 0.00 H new ATOM 750 N ARG A 50 -8.442 -6.993 5.532 1.00 0.00 N ATOM 751 CA ARG A 50 -8.331 -7.367 6.941 1.00 0.00 C ATOM 752 C ARG A 50 -7.316 -6.491 7.675 1.00 0.00 C ATOM 753 O ARG A 50 -6.107 -6.621 7.478 1.00 0.00 O ATOM 754 CB ARG A 50 -7.946 -8.843 7.075 1.00 0.00 C ATOM 755 CG ARG A 50 -7.591 -9.256 8.494 1.00 0.00 C ATOM 756 CD ARG A 50 -8.763 -9.930 9.187 1.00 0.00 C ATOM 757 NE ARG A 50 -8.834 -11.357 8.880 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.975 -12.031 8.771 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.135 -11.411 8.933 1.00 0.00 N ATOM 760 NH2 ARG A 50 -9.956 -13.328 8.494 1.00 0.00 N ATOM 0 H ARG A 50 -9.366 -6.656 5.260 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.307 -7.210 7.401 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.774 -9.459 6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.097 -9.048 6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.739 -9.936 8.474 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.286 -8.379 9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.673 -9.795 10.265 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.691 -9.447 8.882 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.960 -11.864 8.742 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.155 -10.413 9.142 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.008 -11.932 8.848 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.066 -13.809 8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.832 -13.845 8.411 1.00 0.00 H new ATOM 774 N SER A 51 -7.822 -5.603 8.522 1.00 0.00 N ATOM 775 CA SER A 51 -6.982 -4.697 9.298 1.00 0.00 C ATOM 776 C SER A 51 -6.559 -5.326 10.625 1.00 0.00 C ATOM 777 O SER A 51 -5.820 -4.717 11.399 1.00 0.00 O ATOM 778 CB SER A 51 -7.727 -3.390 9.565 1.00 0.00 C ATOM 779 OG SER A 51 -9.070 -3.636 9.946 1.00 0.00 O ATOM 0 H SER A 51 -8.822 -5.490 8.690 1.00 0.00 H new ATOM 0 HA SER A 51 -6.084 -4.495 8.714 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.219 -2.833 10.352 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.708 -2.768 8.670 1.00 0.00 H new ATOM 0 HG SER A 51 -9.524 -2.784 10.113 1.00 0.00 H new ATOM 785 N ASP A 52 -7.056 -6.528 10.900 1.00 0.00 N ATOM 786 CA ASP A 52 -6.748 -7.208 12.156 1.00 0.00 C ATOM 787 C ASP A 52 -5.521 -8.119 12.054 1.00 0.00 C ATOM 788 O ASP A 52 -4.480 -7.832 12.646 1.00 0.00 O ATOM 789 CB ASP A 52 -7.956 -8.029 12.615 1.00 0.00 C ATOM 790 CG ASP A 52 -7.977 -8.235 14.116 1.00 0.00 C ATOM 791 OD1 ASP A 52 -7.345 -9.202 14.592 1.00 0.00 O ATOM 792 OD2 ASP A 52 -8.626 -7.432 14.816 1.00 0.00 O ATOM 0 H ASP A 52 -7.670 -7.050 10.275 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.516 -6.432 12.886 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.872 -7.525 12.307 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.943 -8.999 12.118 1.00 0.00 H new ATOM 797 N SER A 53 -5.658 -9.231 11.337 1.00 0.00 N ATOM 798 CA SER A 53 -4.567 -10.198 11.206 1.00 0.00 C ATOM 799 C SER A 53 -3.695 -9.953 9.976 1.00 0.00 C ATOM 800 O SER A 53 -2.481 -9.804 10.097 1.00 0.00 O ATOM 801 CB SER A 53 -5.133 -11.619 11.159 1.00 0.00 C ATOM 802 OG SER A 53 -6.076 -11.759 10.110 1.00 0.00 O ATOM 0 H SER A 53 -6.510 -9.486 10.838 1.00 0.00 H new ATOM 0 HA SER A 53 -3.929 -10.072 12.081 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.321 -12.333 11.020 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.606 -11.857 12.112 1.00 0.00 H new ATOM 0 HG SER A 53 -6.421 -12.676 10.101 1.00 0.00 H new ATOM 808 N ASP A 54 -4.317 -9.950 8.801 1.00 0.00 N ATOM 809 CA ASP A 54 -3.603 -9.764 7.535 1.00 0.00 C ATOM 810 C ASP A 54 -2.464 -8.749 7.640 1.00 0.00 C ATOM 811 O ASP A 54 -1.322 -9.063 7.314 1.00 0.00 O ATOM 812 CB ASP A 54 -4.577 -9.333 6.441 1.00 0.00 C ATOM 813 CG ASP A 54 -5.071 -10.503 5.609 1.00 0.00 C ATOM 814 OD1 ASP A 54 -4.371 -11.538 5.567 1.00 0.00 O ATOM 815 OD2 ASP A 54 -6.154 -10.383 5.001 1.00 0.00 O ATOM 0 H ASP A 54 -5.324 -10.075 8.696 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.157 -10.725 7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.430 -8.829 6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.089 -8.608 5.789 1.00 0.00 H new ATOM 820 N VAL A 55 -2.780 -7.534 8.076 1.00 0.00 N ATOM 821 CA VAL A 55 -1.774 -6.478 8.200 1.00 0.00 C ATOM 822 C VAL A 55 -0.564 -6.935 9.019 1.00 0.00 C ATOM 823 O VAL A 55 0.570 -6.550 8.733 1.00 0.00 O ATOM 824 CB VAL A 55 -2.374 -5.205 8.841 1.00 0.00 C ATOM 825 CG1 VAL A 55 -3.372 -5.568 9.927 1.00 0.00 C ATOM 826 CG2 VAL A 55 -1.283 -4.301 9.402 1.00 0.00 C ATOM 0 H VAL A 55 -3.722 -7.254 8.350 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.441 -6.248 7.188 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.897 -4.656 8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.781 -4.657 10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.180 -6.159 9.496 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.872 -6.149 10.702 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.737 -3.415 9.846 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.720 -4.840 10.164 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.611 -4.000 8.598 1.00 0.00 H new ATOM 836 N VAL A 56 -0.815 -7.741 10.044 1.00 0.00 N ATOM 837 CA VAL A 56 0.251 -8.231 10.916 1.00 0.00 C ATOM 838 C VAL A 56 1.108 -9.310 10.250 1.00 0.00 C ATOM 839 O VAL A 56 2.276 -9.474 10.600 1.00 0.00 O ATOM 840 CB VAL A 56 -0.318 -8.791 12.234 1.00 0.00 C ATOM 841 CG1 VAL A 56 0.792 -9.004 13.251 1.00 0.00 C ATOM 842 CG2 VAL A 56 -1.385 -7.861 12.792 1.00 0.00 C ATOM 0 H VAL A 56 -1.748 -8.070 10.294 1.00 0.00 H new ATOM 0 HA VAL A 56 0.884 -7.369 11.123 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.778 -9.757 12.025 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.369 -9.400 14.174 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.519 -9.711 12.853 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.285 -8.054 13.456 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.776 -8.272 13.723 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.949 -6.880 12.983 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.196 -7.763 12.070 1.00 0.00 H new ATOM 852 N GLU A 57 0.534 -10.047 9.303 1.00 0.00 N ATOM 853 CA GLU A 57 1.275 -11.110 8.618 1.00 0.00 C ATOM 854 C GLU A 57 1.997 -10.584 7.379 1.00 0.00 C ATOM 855 O GLU A 57 3.139 -10.957 7.109 1.00 0.00 O ATOM 856 CB GLU A 57 0.344 -12.264 8.225 1.00 0.00 C ATOM 857 CG GLU A 57 -1.129 -11.996 8.491 1.00 0.00 C ATOM 858 CD GLU A 57 -1.848 -13.206 9.056 1.00 0.00 C ATOM 859 OE1 GLU A 57 -2.301 -14.053 8.259 1.00 0.00 O ATOM 860 OE2 GLU A 57 -1.960 -13.302 10.297 1.00 0.00 O ATOM 0 H GLU A 57 -0.431 -9.932 8.993 1.00 0.00 H new ATOM 0 HA GLU A 57 2.023 -11.481 9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.477 -12.478 7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.643 -13.159 8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.223 -11.163 9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.613 -11.691 7.563 1.00 0.00 H new ATOM 867 N ALA A 58 1.316 -9.730 6.623 1.00 0.00 N ATOM 868 CA ALA A 58 1.876 -9.161 5.402 1.00 0.00 C ATOM 869 C ALA A 58 3.204 -8.458 5.653 1.00 0.00 C ATOM 870 O ALA A 58 4.089 -8.464 4.796 1.00 0.00 O ATOM 871 CB ALA A 58 0.881 -8.201 4.769 1.00 0.00 C ATOM 0 H ALA A 58 0.370 -9.415 6.836 1.00 0.00 H new ATOM 0 HA ALA A 58 2.071 -9.985 4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.309 -7.782 3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.037 -8.736 4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.657 -7.396 5.469 1.00 0.00 H new ATOM 1086 N PHE A 74 -0.502 -9.033 -0.766 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.624 -7.585 -0.902 1.00 0.00 C ATOM 1088 C PHE A 74 -0.030 -7.101 -2.224 1.00 0.00 C ATOM 1089 O PHE A 74 -0.586 -6.210 -2.865 1.00 0.00 O ATOM 1090 CB PHE A 74 0.054 -6.876 0.274 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.243 -5.401 0.356 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.499 -4.903 0.024 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.738 -4.508 0.765 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -1.763 -3.553 0.098 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.475 -3.156 0.841 1.00 0.00 C ATOM 1096 CZ PHE A 74 -0.773 -2.677 0.505 1.00 0.00 C ATOM 0 HA PHE A 74 -1.686 -7.339 -0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.262 -7.352 1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.132 -7.015 0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.276 -5.582 -0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.719 -4.876 1.027 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.742 -3.179 -0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.247 -2.473 1.164 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.978 -1.618 0.560 1.00 0.00 H new ATOM 1106 N GLY A 75 1.091 -7.689 -2.631 1.00 0.00 N ATOM 1107 CA GLY A 75 1.725 -7.293 -3.882 1.00 0.00 C ATOM 1108 C GLY A 75 1.002 -7.836 -5.104 1.00 0.00 C ATOM 1109 O GLY A 75 1.621 -8.102 -6.135 1.00 0.00 O ATOM 0 H GLY A 75 1.572 -8.430 -2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.759 -6.205 -3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.757 -7.645 -3.889 1.00 0.00 H new ATOM 1113 N THR A 76 -0.310 -8.003 -4.981 1.00 0.00 N ATOM 1114 CA THR A 76 -1.134 -8.519 -6.069 1.00 0.00 C ATOM 1115 C THR A 76 -2.534 -7.916 -6.020 1.00 0.00 C ATOM 1116 O THR A 76 -2.920 -7.312 -5.018 1.00 0.00 O ATOM 1117 CB THR A 76 -1.244 -10.054 -6.008 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.050 -10.610 -5.445 1.00 0.00 O ATOM 1119 CG2 THR A 76 -1.473 -10.636 -7.396 1.00 0.00 C ATOM 0 H THR A 76 -0.830 -7.786 -4.131 1.00 0.00 H new ATOM 0 HA THR A 76 -0.649 -8.236 -7.003 1.00 0.00 H new ATOM 0 HB THR A 76 -2.096 -10.309 -5.378 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.129 -11.586 -5.409 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.547 -11.721 -7.328 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.397 -10.234 -7.811 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.638 -10.370 -8.044 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.298 -8.083 -7.095 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.656 -7.556 -7.139 1.00 0.00 C ATOM 1129 C VAL A 77 -5.507 -8.257 -6.084 1.00 0.00 C ATOM 1130 O VAL A 77 -5.905 -9.410 -6.250 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.297 -7.736 -8.533 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -5.074 -9.151 -9.050 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -6.784 -7.400 -8.496 1.00 0.00 C ATOM 0 H VAL A 77 -3.003 -8.574 -7.939 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.610 -6.487 -6.933 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.813 -7.043 -9.220 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.533 -9.256 -10.033 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.004 -9.346 -9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.524 -9.865 -8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.212 -7.535 -9.489 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.289 -8.060 -7.791 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.915 -6.365 -8.181 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.755 -7.557 -4.982 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.526 -8.114 -3.877 1.00 0.00 C ATOM 1145 C VAL A 78 -7.692 -7.216 -3.488 1.00 0.00 C ATOM 1146 O VAL A 78 -7.819 -6.091 -3.970 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.639 -8.302 -2.634 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.742 -9.517 -2.786 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.813 -7.051 -2.386 1.00 0.00 C ATOM 0 H VAL A 78 -5.432 -6.601 -4.830 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.909 -9.074 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.285 -8.470 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.125 -9.628 -1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.356 -10.408 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.100 -9.389 -3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.189 -7.196 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.179 -6.856 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.478 -6.202 -2.225 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.523 -7.719 -2.581 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.665 -6.966 -2.083 1.00 0.00 C ATOM 1161 C ASP A 79 -9.241 -6.149 -0.872 1.00 0.00 C ATOM 1162 O ASP A 79 -8.947 -6.704 0.186 1.00 0.00 O ATOM 1163 CB ASP A 79 -10.808 -7.912 -1.708 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.688 -8.255 -2.894 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -11.139 -8.510 -3.986 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -12.924 -8.271 -2.729 1.00 0.00 O ATOM 0 H ASP A 79 -8.425 -8.650 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.019 -6.296 -2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.394 -8.829 -1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.416 -7.452 -0.929 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.197 -4.833 -1.031 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.790 -3.955 0.056 1.00 0.00 C ATOM 1173 C ILE A 80 -9.995 -3.350 0.766 1.00 0.00 C ATOM 1174 O ILE A 80 -11.113 -3.373 0.253 1.00 0.00 O ATOM 1175 CB ILE A 80 -7.882 -2.817 -0.450 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.694 -1.768 -1.216 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.763 -3.379 -1.319 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -7.884 -0.561 -1.642 1.00 0.00 C ATOM 0 H ILE A 80 -9.437 -4.352 -1.898 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.233 -4.571 0.762 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.434 -2.326 0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.129 -2.233 -2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.523 -1.436 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.130 -2.564 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.165 -4.078 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.193 -3.898 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.526 0.137 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.471 -0.070 -0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.071 -0.880 -2.294 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.749 -2.797 1.948 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.799 -2.167 2.739 1.00 0.00 C ATOM 1192 C ILE A 81 -10.305 -0.849 3.315 1.00 0.00 C ATOM 1193 O ILE A 81 -9.218 -0.783 3.887 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.268 -3.074 3.893 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.134 -3.990 4.354 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.476 -3.894 3.463 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -9.907 -3.962 5.848 1.00 0.00 C ATOM 0 H ILE A 81 -8.826 -2.772 2.381 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.643 -1.991 2.072 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.558 -2.442 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.356 -5.012 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.213 -3.698 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.796 -4.530 4.288 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.290 -3.224 3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -12.208 -4.516 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.089 -4.635 6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.654 -2.948 6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.814 -4.283 6.360 1.00 0.00 H new ATOM 1209 N SER A 82 -11.101 0.198 3.163 1.00 0.00 N ATOM 1210 CA SER A 82 -10.726 1.511 3.671 1.00 0.00 C ATOM 1211 C SER A 82 -11.193 1.699 5.109 1.00 0.00 C ATOM 1212 O SER A 82 -11.951 0.888 5.638 1.00 0.00 O ATOM 1213 CB SER A 82 -11.309 2.613 2.782 1.00 0.00 C ATOM 1214 OG SER A 82 -12.530 3.101 3.309 1.00 0.00 O ATOM 0 H SER A 82 -12.007 0.166 2.695 1.00 0.00 H new ATOM 0 HA SER A 82 -9.638 1.578 3.654 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.594 3.431 2.696 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.473 2.225 1.777 1.00 0.00 H new ATOM 0 HG SER A 82 -12.881 3.805 2.724 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.714 2.768 5.733 1.00 0.00 N ATOM 1221 CA ARG A 83 -11.057 3.080 7.120 1.00 0.00 C ATOM 1222 C ARG A 83 -12.562 2.982 7.382 1.00 0.00 C ATOM 1223 O ARG A 83 -12.983 2.682 8.501 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.576 4.487 7.478 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.450 5.596 6.909 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.617 6.693 6.268 1.00 0.00 C ATOM 1227 NE ARG A 83 -11.254 8.003 6.389 1.00 0.00 N ATOM 1228 CZ ARG A 83 -11.329 8.686 7.529 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -10.808 8.188 8.643 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -11.926 9.870 7.554 1.00 0.00 N ATOM 0 H ARG A 83 -10.082 3.440 5.298 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.557 2.340 7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.541 4.584 8.563 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.557 4.617 7.114 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.133 5.178 6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.062 6.021 7.704 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.634 6.723 6.737 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.461 6.461 5.214 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.664 8.417 5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.347 7.278 8.628 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.868 8.715 9.514 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.327 10.257 6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.984 10.394 8.427 1.00 0.00 H new ATOM 1244 N SER A 84 -13.371 3.252 6.360 1.00 0.00 N ATOM 1245 CA SER A 84 -14.824 3.206 6.508 1.00 0.00 C ATOM 1246 C SER A 84 -15.378 1.832 6.152 1.00 0.00 C ATOM 1247 O SER A 84 -16.507 1.498 6.510 1.00 0.00 O ATOM 1248 CB SER A 84 -15.479 4.274 5.631 1.00 0.00 C ATOM 1249 OG SER A 84 -16.892 4.200 5.705 1.00 0.00 O ATOM 0 H SER A 84 -13.048 3.503 5.426 1.00 0.00 H new ATOM 0 HA SER A 84 -15.057 3.404 7.554 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.147 5.263 5.948 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.159 4.146 4.597 1.00 0.00 H new ATOM 0 HG SER A 84 -17.286 4.894 5.137 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.583 1.048 5.439 1.00 0.00 N ATOM 1256 CA GLY A 85 -15.015 -0.274 5.038 1.00 0.00 C ATOM 1257 C GLY A 85 -15.776 -0.239 3.739 1.00 0.00 C ATOM 1258 O GLY A 85 -16.900 0.260 3.684 1.00 0.00 O ATOM 0 H GLY A 85 -13.645 1.305 5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.147 -0.925 4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.644 -0.704 5.817 1.00 0.00 H new ATOM 1262 N GLU A 86 -15.160 -0.750 2.687 1.00 0.00 N ATOM 1263 CA GLU A 86 -15.790 -0.753 1.381 1.00 0.00 C ATOM 1264 C GLU A 86 -15.572 -2.078 0.658 1.00 0.00 C ATOM 1265 O GLU A 86 -16.398 -2.489 -0.159 1.00 0.00 O ATOM 1266 CB GLU A 86 -15.244 0.406 0.555 1.00 0.00 C ATOM 1267 CG GLU A 86 -15.576 1.772 1.133 1.00 0.00 C ATOM 1268 CD GLU A 86 -16.791 2.400 0.479 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -16.650 2.940 -0.639 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -17.882 2.353 1.084 1.00 0.00 O ATOM 0 H GLU A 86 -14.229 -1.166 2.712 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.865 -0.631 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.161 0.307 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.645 0.341 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.753 1.676 2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.718 2.433 1.009 1.00 0.00 H new ATOM 1277 N LYS A 87 -14.464 -2.745 0.965 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.142 -4.029 0.346 1.00 0.00 C ATOM 1279 C LYS A 87 -14.181 -3.929 -1.178 1.00 0.00 C ATOM 1280 O LYS A 87 -14.935 -4.647 -1.839 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.119 -5.106 0.824 1.00 0.00 C ATOM 1282 CG LYS A 87 -14.503 -6.100 1.794 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.241 -6.112 3.124 1.00 0.00 C ATOM 1284 CE LYS A 87 -14.569 -7.036 4.126 1.00 0.00 C ATOM 1285 NZ LYS A 87 -15.535 -7.984 4.746 1.00 0.00 N ATOM 0 H LYS A 87 -13.772 -2.418 1.640 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.131 -4.304 0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.971 -4.624 1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.503 -5.646 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.524 -7.098 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.456 -5.847 1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.279 -5.101 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.271 -6.432 2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.779 -7.598 3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.094 -6.441 4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.035 -8.596 5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.275 -7.449 5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.970 -8.570 4.005 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.370 -3.034 -1.728 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.312 -2.834 -3.168 1.00 0.00 C ATOM 1301 C ILE A 88 -12.109 -3.559 -3.779 1.00 0.00 C ATOM 1302 O ILE A 88 -10.969 -3.338 -3.366 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.231 -1.332 -3.510 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -14.592 -0.664 -3.309 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -12.744 -1.128 -4.936 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -14.497 0.790 -2.902 1.00 0.00 C ATOM 0 H ILE A 88 -12.741 -2.433 -1.195 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.226 -3.250 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.513 -0.867 -2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -15.164 -0.737 -4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.147 -1.211 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.695 -0.061 -5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -11.753 -1.567 -5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.435 -1.609 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.500 1.199 -2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -13.953 0.870 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.970 1.350 -3.674 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.346 -4.430 -4.778 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.273 -5.176 -5.446 1.00 0.00 C ATOM 1320 C PRO A 89 -10.374 -4.261 -6.268 1.00 0.00 C ATOM 1321 O PRO A 89 -10.848 -3.536 -7.143 1.00 0.00 O ATOM 1322 CB PRO A 89 -12.023 -6.148 -6.359 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.340 -5.497 -6.603 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.672 -4.750 -5.342 1.00 0.00 C ATOM 0 HA PRO A 89 -10.613 -5.671 -4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.483 -6.312 -7.292 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.144 -7.122 -5.886 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.289 -4.820 -7.456 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -14.106 -6.239 -6.830 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -14.249 -3.849 -5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.264 -5.358 -4.658 1.00 0.00 H new ATOM 1332 N VAL A 90 -9.077 -4.293 -5.982 1.00 0.00 N ATOM 1333 CA VAL A 90 -8.121 -3.460 -6.699 1.00 0.00 C ATOM 1334 C VAL A 90 -6.800 -4.190 -6.909 1.00 0.00 C ATOM 1335 O VAL A 90 -6.585 -5.279 -6.379 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.842 -2.141 -5.948 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -9.126 -1.349 -5.748 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -7.169 -2.419 -4.612 1.00 0.00 C ATOM 0 H VAL A 90 -8.665 -4.885 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.571 -3.234 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.165 -1.540 -6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.904 -0.424 -5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.563 -1.114 -6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.832 -1.941 -5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.980 -1.477 -4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.820 -3.043 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.224 -2.936 -4.781 1.00 0.00 H new ATOM 1348 N SER A 91 -5.917 -3.568 -7.680 1.00 0.00 N ATOM 1349 CA SER A 91 -4.607 -4.134 -7.962 1.00 0.00 C ATOM 1350 C SER A 91 -3.540 -3.435 -7.131 1.00 0.00 C ATOM 1351 O SER A 91 -3.448 -2.208 -7.134 1.00 0.00 O ATOM 1352 CB SER A 91 -4.280 -4.007 -9.452 1.00 0.00 C ATOM 1353 OG SER A 91 -3.353 -4.998 -9.858 1.00 0.00 O ATOM 0 H SER A 91 -6.088 -2.665 -8.123 1.00 0.00 H new ATOM 0 HA SER A 91 -4.623 -5.191 -7.697 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.195 -4.099 -10.037 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.871 -3.017 -9.654 1.00 0.00 H new ATOM 0 HG SER A 91 -3.163 -4.896 -10.814 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.736 -4.215 -6.416 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.682 -3.650 -5.586 1.00 0.00 C ATOM 1361 C VAL A 92 -0.326 -4.241 -5.939 1.00 0.00 C ATOM 1362 O VAL A 92 -0.194 -5.448 -6.138 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.953 -3.885 -4.089 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.809 -3.339 -3.246 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.278 -3.257 -3.680 1.00 0.00 C ATOM 0 H VAL A 92 -2.794 -5.233 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.672 -2.578 -5.782 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.019 -4.959 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.019 -3.514 -2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.118 -3.843 -3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.706 -2.268 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.452 -3.434 -2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.246 -2.184 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.086 -3.703 -4.259 1.00 0.00 H new ATOM 1375 N TRP A 93 0.684 -3.379 -6.005 1.00 0.00 N ATOM 1376 CA TRP A 93 2.034 -3.818 -6.325 1.00 0.00 C ATOM 1377 C TRP A 93 3.060 -3.123 -5.439 1.00 0.00 C ATOM 1378 O TRP A 93 3.267 -1.914 -5.536 1.00 0.00 O ATOM 1379 CB TRP A 93 2.368 -3.586 -7.806 1.00 0.00 C ATOM 1380 CG TRP A 93 1.402 -2.701 -8.539 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.089 -2.962 -8.822 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.684 -1.416 -9.110 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.462 -1.913 -9.517 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.497 -0.954 -9.708 1.00 0.00 C ATOM 1385 CE3 TRP A 93 2.825 -0.612 -9.164 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.421 0.276 -10.357 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 2.747 0.608 -9.809 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.553 1.042 -10.398 1.00 0.00 C ATOM 0 H TRP A 93 0.592 -2.376 -5.841 1.00 0.00 H new ATOM 0 HA TRP A 93 2.077 -4.890 -6.133 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.364 -3.148 -7.875 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.409 -4.552 -8.310 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.438 -3.862 -8.540 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.428 -1.857 -9.839 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.750 -0.937 -8.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.499 0.613 -10.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.623 1.238 -9.860 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.526 2.001 -10.894 1.00 0.00 H new ATOM 1399 N MET A 94 3.701 -3.907 -4.576 1.00 0.00 N ATOM 1400 CA MET A 94 4.711 -3.387 -3.665 1.00 0.00 C ATOM 1401 C MET A 94 6.113 -3.633 -4.213 1.00 0.00 C ATOM 1402 O MET A 94 6.467 -4.763 -4.556 1.00 0.00 O ATOM 1403 CB MET A 94 4.567 -4.039 -2.287 1.00 0.00 C ATOM 1404 CG MET A 94 5.161 -3.219 -1.154 1.00 0.00 C ATOM 1405 SD MET A 94 4.629 -3.798 0.472 1.00 0.00 S ATOM 1406 CE MET A 94 5.345 -2.546 1.536 1.00 0.00 C ATOM 0 H MET A 94 3.536 -4.910 -4.490 1.00 0.00 H new ATOM 0 HA MET A 94 4.561 -2.312 -3.568 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.509 -4.208 -2.084 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.048 -5.017 -2.306 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.249 -3.259 -1.212 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.874 -2.175 -1.276 1.00 0.00 H new ATOM 0 HE1 MET A 94 4.648 -2.310 2.340 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.277 -2.919 1.961 1.00 0.00 H new ATOM 0 HE3 MET A 94 5.546 -1.646 0.955 1.00 0.00 H new ATOM 1416 N LYS A 95 6.905 -2.570 -4.291 1.00 0.00 N ATOM 1417 CA LYS A 95 8.270 -2.660 -4.797 1.00 0.00 C ATOM 1418 C LYS A 95 9.241 -1.999 -3.826 1.00 0.00 C ATOM 1419 O LYS A 95 9.168 -0.797 -3.587 1.00 0.00 O ATOM 1420 CB LYS A 95 8.372 -1.994 -6.171 1.00 0.00 C ATOM 1421 CG LYS A 95 7.595 -0.693 -6.276 1.00 0.00 C ATOM 1422 CD LYS A 95 6.753 -0.643 -7.539 1.00 0.00 C ATOM 1423 CE LYS A 95 6.567 0.783 -8.033 1.00 0.00 C ATOM 1424 NZ LYS A 95 6.037 0.825 -9.425 1.00 0.00 N ATOM 0 H LYS A 95 6.624 -1.631 -4.009 1.00 0.00 H new ATOM 0 HA LYS A 95 8.533 -3.713 -4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.421 -1.800 -6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.008 -2.687 -6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.950 -0.583 -5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.289 0.147 -6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.229 -1.239 -8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.779 -1.091 -7.345 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.883 1.311 -7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.521 1.309 -7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.861 1.812 -9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.732 0.404 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.148 0.288 -9.474 1.00 0.00 H new ATOM 1438 N ARG A 96 10.147 -2.793 -3.267 1.00 0.00 N ATOM 1439 CA ARG A 96 11.122 -2.279 -2.316 1.00 0.00 C ATOM 1440 C ARG A 96 12.307 -1.637 -3.028 1.00 0.00 C ATOM 1441 O ARG A 96 13.455 -2.033 -2.829 1.00 0.00 O ATOM 1442 CB ARG A 96 11.615 -3.401 -1.404 1.00 0.00 C ATOM 1443 CG ARG A 96 11.921 -4.691 -2.143 1.00 0.00 C ATOM 1444 CD ARG A 96 10.989 -5.812 -1.712 1.00 0.00 C ATOM 1445 NE ARG A 96 11.635 -7.119 -1.784 1.00 0.00 N ATOM 1446 CZ ARG A 96 11.613 -7.894 -2.864 1.00 0.00 C ATOM 1447 NH1 ARG A 96 10.985 -7.490 -3.960 1.00 0.00 N ATOM 1448 NH2 ARG A 96 12.223 -9.071 -2.849 1.00 0.00 N ATOM 0 H ARG A 96 10.226 -3.792 -3.456 1.00 0.00 H new ATOM 0 HA ARG A 96 10.628 -1.515 -1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.513 -3.068 -0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.860 -3.598 -0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.825 -4.529 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.954 -4.983 -1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.651 -5.630 -0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.103 -5.810 -2.346 1.00 0.00 H new ATOM 0 HE ARG A 96 12.131 -7.457 -0.959 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.518 -6.583 -3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.969 -8.086 -4.788 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.710 -9.383 -2.008 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.206 -9.665 -3.678 1.00 0.00 H new ATOM 1462 N MET A 97 12.024 -0.629 -3.841 1.00 0.00 N ATOM 1463 CA MET A 97 13.072 0.085 -4.559 1.00 0.00 C ATOM 1464 C MET A 97 13.840 0.970 -3.587 1.00 0.00 C ATOM 1465 O MET A 97 13.543 0.979 -2.395 1.00 0.00 O ATOM 1466 CB MET A 97 12.474 0.927 -5.692 1.00 0.00 C ATOM 1467 CG MET A 97 11.861 2.237 -5.226 1.00 0.00 C ATOM 1468 SD MET A 97 10.342 2.649 -6.106 1.00 0.00 S ATOM 1469 CE MET A 97 11.000 3.472 -7.555 1.00 0.00 C ATOM 0 H MET A 97 11.080 -0.287 -4.020 1.00 0.00 H new ATOM 0 HA MET A 97 13.756 -0.639 -5.002 1.00 0.00 H new ATOM 0 HB2 MET A 97 13.254 1.141 -6.423 1.00 0.00 H new ATOM 0 HB3 MET A 97 11.710 0.341 -6.203 1.00 0.00 H new ATOM 0 HG2 MET A 97 11.652 2.175 -4.158 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.584 3.041 -5.363 1.00 0.00 H new ATOM 0 HE1 MET A 97 10.179 3.787 -8.199 1.00 0.00 H new ATOM 0 HE2 MET A 97 11.575 4.345 -7.248 1.00 0.00 H new ATOM 0 HE3 MET A 97 11.647 2.785 -8.101 1.00 0.00 H new ATOM 1479 N ARG A 98 14.822 1.714 -4.084 1.00 0.00 N ATOM 1480 CA ARG A 98 15.611 2.586 -3.221 1.00 0.00 C ATOM 1481 C ARG A 98 14.856 3.872 -2.899 1.00 0.00 C ATOM 1482 O ARG A 98 14.490 4.109 -1.747 1.00 0.00 O ATOM 1483 CB ARG A 98 16.951 2.914 -3.878 1.00 0.00 C ATOM 1484 CG ARG A 98 18.079 2.006 -3.421 1.00 0.00 C ATOM 1485 CD ARG A 98 18.896 2.646 -2.311 1.00 0.00 C ATOM 1486 NE ARG A 98 20.322 2.355 -2.444 1.00 0.00 N ATOM 1487 CZ ARG A 98 21.134 3.013 -3.268 1.00 0.00 C ATOM 1488 NH1 ARG A 98 20.663 3.999 -4.021 1.00 0.00 N ATOM 1489 NH2 ARG A 98 22.417 2.687 -3.338 1.00 0.00 N ATOM 0 H ARG A 98 15.089 1.732 -5.068 1.00 0.00 H new ATOM 0 HA ARG A 98 15.794 2.056 -2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.846 2.836 -4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.213 3.948 -3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 98 17.666 1.060 -3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.728 1.777 -4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.743 3.725 -2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.541 2.286 -1.345 1.00 0.00 H new ATOM 0 HE ARG A 98 20.717 1.607 -1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.677 4.254 -3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.287 4.502 -4.652 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.783 1.931 -2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 98 23.038 3.192 -3.970 1.00 0.00 H new ATOM 1503 N GLN A 99 14.629 4.697 -3.919 1.00 0.00 N ATOM 1504 CA GLN A 99 13.919 5.961 -3.740 1.00 0.00 C ATOM 1505 C GLN A 99 14.693 6.895 -2.813 1.00 0.00 C ATOM 1506 O GLN A 99 15.442 7.760 -3.273 1.00 0.00 O ATOM 1507 CB GLN A 99 12.511 5.710 -3.189 1.00 0.00 C ATOM 1508 CG GLN A 99 11.713 6.979 -2.943 1.00 0.00 C ATOM 1509 CD GLN A 99 10.384 6.979 -3.671 1.00 0.00 C ATOM 1510 OE1 GLN A 99 9.343 6.496 -3.001 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 10.293 7.407 -4.822 1.00 0.00 N flip ATOM 0 H GLN A 99 14.926 4.513 -4.877 1.00 0.00 H new ATOM 0 HA GLN A 99 13.833 6.443 -4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.964 5.078 -3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.590 5.155 -2.254 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.538 7.092 -1.873 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.299 7.841 -3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.119 7.769 -5.298 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.391 7.400 -5.299 1.00 0.00 H new ATOM 1520 N GLU A 100 14.516 6.713 -1.507 1.00 0.00 N ATOM 1521 CA GLU A 100 15.205 7.535 -0.518 1.00 0.00 C ATOM 1522 C GLU A 100 16.616 7.007 -0.269 1.00 0.00 C ATOM 1523 O GLU A 100 17.207 6.366 -1.138 1.00 0.00 O ATOM 1524 CB GLU A 100 14.410 7.565 0.789 1.00 0.00 C ATOM 1525 CG GLU A 100 14.125 8.970 1.296 1.00 0.00 C ATOM 1526 CD GLU A 100 12.717 9.120 1.840 1.00 0.00 C ATOM 1527 OE1 GLU A 100 12.302 8.273 2.657 1.00 0.00 O ATOM 1528 OE2 GLU A 100 12.029 10.086 1.447 1.00 0.00 O ATOM 0 H GLU A 100 13.901 6.003 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 100 15.282 8.551 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.465 7.042 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.962 7.017 1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.841 9.222 2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.275 9.682 0.485 1.00 0.00 H new ATOM 1535 N ARG A 101 17.154 7.281 0.918 1.00 0.00 N ATOM 1536 CA ARG A 101 18.495 6.829 1.270 1.00 0.00 C ATOM 1537 C ARG A 101 18.534 5.312 1.421 1.00 0.00 C ATOM 1538 O ARG A 101 19.555 4.675 1.156 1.00 0.00 O ATOM 1539 CB ARG A 101 18.961 7.497 2.564 1.00 0.00 C ATOM 1540 CG ARG A 101 18.122 7.128 3.778 1.00 0.00 C ATOM 1541 CD ARG A 101 18.601 7.856 5.024 1.00 0.00 C ATOM 1542 NE ARG A 101 18.513 9.305 4.878 1.00 0.00 N ATOM 1543 CZ ARG A 101 18.708 10.161 5.878 1.00 0.00 C ATOM 1544 NH1 ARG A 101 19.001 9.715 7.091 1.00 0.00 N ATOM 1545 NH2 ARG A 101 18.608 11.465 5.663 1.00 0.00 N ATOM 0 H ARG A 101 16.682 7.813 1.649 1.00 0.00 H new ATOM 0 HA ARG A 101 19.170 7.113 0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 101 19.998 7.220 2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 101 18.938 8.579 2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.077 7.375 3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.170 6.052 3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.004 7.541 5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.633 7.575 5.234 1.00 0.00 H new ATOM 0 HE ARG A 101 18.289 9.683 3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.078 8.712 7.261 1.00 0.00 H new ATOM 0 HH12 ARG A 101 19.150 10.375 7.855 1.00 0.00 H new ATOM 0 HH21 ARG A 101 18.382 11.812 4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 101 18.757 12.121 6.429 1.00 0.00 H new ATOM 1559 N ARG A 102 17.411 4.739 1.841 1.00 0.00 N ATOM 1560 CA ARG A 102 17.306 3.297 2.025 1.00 0.00 C ATOM 1561 C ARG A 102 16.231 2.726 1.106 1.00 0.00 C ATOM 1562 O ARG A 102 15.347 3.452 0.651 1.00 0.00 O ATOM 1563 CB ARG A 102 17.005 2.976 3.496 1.00 0.00 C ATOM 1564 CG ARG A 102 15.692 2.236 3.733 1.00 0.00 C ATOM 1565 CD ARG A 102 14.583 3.184 4.159 1.00 0.00 C ATOM 1566 NE ARG A 102 15.048 4.163 5.140 1.00 0.00 N ATOM 1567 CZ ARG A 102 15.095 3.933 6.450 1.00 0.00 C ATOM 1568 NH1 ARG A 102 14.704 2.762 6.936 1.00 0.00 N ATOM 1569 NH2 ARG A 102 15.534 4.873 7.273 1.00 0.00 N ATOM 0 H ARG A 102 16.558 5.254 2.061 1.00 0.00 H new ATOM 0 HA ARG A 102 18.256 2.832 1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.822 2.376 3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 102 16.988 3.908 4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.397 1.717 2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.836 1.476 4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 102 14.194 3.704 3.284 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.758 2.611 4.582 1.00 0.00 H new ATOM 0 HE ARG A 102 15.354 5.075 4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 102 14.366 2.035 6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 102 14.741 2.589 7.940 1.00 0.00 H new ATOM 0 HH21 ARG A 102 15.836 5.774 6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 102 15.570 4.696 8.277 1.00 0.00 H new ATOM 1583 N LEU A 103 16.310 1.425 0.836 1.00 0.00 N ATOM 1584 CA LEU A 103 15.334 0.768 -0.032 1.00 0.00 C ATOM 1585 C LEU A 103 13.918 0.994 0.487 1.00 0.00 C ATOM 1586 O LEU A 103 13.441 0.260 1.354 1.00 0.00 O ATOM 1587 CB LEU A 103 15.611 -0.733 -0.146 1.00 0.00 C ATOM 1588 CG LEU A 103 16.526 -1.315 0.930 1.00 0.00 C ATOM 1589 CD1 LEU A 103 16.177 -2.770 1.199 1.00 0.00 C ATOM 1590 CD2 LEU A 103 17.978 -1.178 0.504 1.00 0.00 C ATOM 0 H LEU A 103 17.034 0.808 1.203 1.00 0.00 H new ATOM 0 HA LEU A 103 15.426 1.210 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.660 -1.264 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 103 16.055 -0.930 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 103 16.380 -0.758 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.840 -3.167 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.144 -2.839 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.297 -3.348 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 103 18.625 -1.595 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 103 18.135 -1.716 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 103 18.217 -0.124 0.361 1.00 0.00 H new ATOM 1602 N CYS A 104 13.252 2.014 -0.043 1.00 0.00 N ATOM 1603 CA CYS A 104 11.895 2.338 0.370 1.00 0.00 C ATOM 1604 C CYS A 104 10.869 1.545 -0.433 1.00 0.00 C ATOM 1605 O CYS A 104 10.887 1.549 -1.665 1.00 0.00 O ATOM 1606 CB CYS A 104 11.635 3.837 0.206 1.00 0.00 C ATOM 1607 SG CYS A 104 12.282 4.849 1.558 1.00 0.00 S ATOM 0 H CYS A 104 13.632 2.631 -0.761 1.00 0.00 H new ATOM 0 HA CYS A 104 11.792 2.067 1.421 1.00 0.00 H new ATOM 0 HB2 CYS A 104 12.081 4.172 -0.730 1.00 0.00 H new ATOM 0 HB3 CYS A 104 10.561 4.002 0.124 1.00 0.00 H new ATOM 0 HG CYS A 104 11.835 4.396 2.691 1.00 0.00 H new ATOM 1613 N CYS A 105 9.970 0.872 0.279 1.00 0.00 N ATOM 1614 CA CYS A 105 8.926 0.078 -0.355 1.00 0.00 C ATOM 1615 C CYS A 105 7.775 0.971 -0.811 1.00 0.00 C ATOM 1616 O CYS A 105 7.207 1.719 -0.019 1.00 0.00 O ATOM 1617 CB CYS A 105 8.413 -0.984 0.619 1.00 0.00 C ATOM 1618 SG CYS A 105 8.320 -2.646 -0.086 1.00 0.00 S ATOM 0 H CYS A 105 9.945 0.862 1.299 1.00 0.00 H new ATOM 0 HA CYS A 105 9.348 -0.415 -1.231 1.00 0.00 H new ATOM 0 HB2 CYS A 105 9.065 -1.007 1.492 1.00 0.00 H new ATOM 0 HB3 CYS A 105 7.423 -0.693 0.969 1.00 0.00 H new ATOM 0 HG CYS A 105 8.108 -2.563 -1.366 1.00 0.00 H new ATOM 1624 N VAL A 106 7.440 0.885 -2.091 1.00 0.00 N ATOM 1625 CA VAL A 106 6.360 1.681 -2.661 1.00 0.00 C ATOM 1626 C VAL A 106 5.170 0.803 -3.040 1.00 0.00 C ATOM 1627 O VAL A 106 5.340 -0.275 -3.608 1.00 0.00 O ATOM 1628 CB VAL A 106 6.838 2.448 -3.912 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.697 3.246 -4.527 1.00 0.00 C ATOM 1630 CG2 VAL A 106 8.007 3.356 -3.567 1.00 0.00 C ATOM 0 H VAL A 106 7.903 0.268 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 106 6.050 2.395 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 106 7.176 1.720 -4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.058 3.778 -5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.894 2.568 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.321 3.964 -3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 106 8.330 3.889 -4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.698 4.075 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.833 2.756 -3.183 1.00 0.00 H new ATOM 1640 N VAL A 107 3.968 1.276 -2.731 1.00 0.00 N ATOM 1641 CA VAL A 107 2.749 0.542 -3.046 1.00 0.00 C ATOM 1642 C VAL A 107 1.809 1.417 -3.870 1.00 0.00 C ATOM 1643 O VAL A 107 1.551 2.568 -3.518 1.00 0.00 O ATOM 1644 CB VAL A 107 2.036 0.064 -1.755 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.537 0.345 -1.801 1.00 0.00 C ATOM 1646 CG2 VAL A 107 2.291 -1.418 -1.528 1.00 0.00 C ATOM 0 H VAL A 107 3.812 2.168 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 107 3.023 -0.338 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 107 2.451 0.628 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.073 -0.004 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 107 0.371 1.417 -1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 107 0.095 -0.177 -2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.784 -1.739 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.910 -1.987 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.362 -1.592 -1.427 1.00 0.00 H new ATOM 1656 N VAL A 108 1.302 0.871 -4.969 1.00 0.00 N ATOM 1657 CA VAL A 108 0.396 1.616 -5.833 1.00 0.00 C ATOM 1658 C VAL A 108 -0.913 0.867 -6.044 1.00 0.00 C ATOM 1659 O VAL A 108 -0.935 -0.224 -6.616 1.00 0.00 O ATOM 1660 CB VAL A 108 1.043 1.925 -7.197 1.00 0.00 C ATOM 1661 CG1 VAL A 108 0.245 2.990 -7.936 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.486 2.364 -7.012 1.00 0.00 C ATOM 0 H VAL A 108 1.502 -0.079 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 108 0.182 2.558 -5.328 1.00 0.00 H new ATOM 0 HB VAL A 108 1.037 1.016 -7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.716 3.196 -8.897 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.772 2.634 -8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.219 3.903 -7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.929 2.578 -7.985 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.517 3.261 -6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.049 1.568 -6.525 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.004 1.460 -5.567 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.325 0.859 -5.683 1.00 0.00 C ATOM 1674 C LEU A 109 -4.062 1.382 -6.914 1.00 0.00 C ATOM 1675 O LEU A 109 -4.152 2.591 -7.128 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.130 1.159 -4.423 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.286 1.355 -3.165 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.013 2.227 -2.159 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -2.929 0.007 -2.560 1.00 0.00 C ATOM 0 H LEU A 109 -1.996 2.363 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.208 -0.219 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.723 2.058 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.831 0.342 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.363 1.865 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.393 2.353 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.215 3.202 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.954 1.753 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.327 0.158 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.842 -0.528 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.361 -0.578 -3.284 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.590 0.463 -7.719 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.321 0.836 -8.925 1.00 0.00 C ATOM 1693 C GLU A 110 -6.578 -0.019 -9.084 1.00 0.00 C ATOM 1694 O GLU A 110 -6.488 -1.233 -9.260 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.427 0.680 -10.157 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.507 1.853 -11.119 1.00 0.00 C ATOM 1697 CD GLU A 110 -4.183 1.459 -12.546 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -3.218 0.688 -12.746 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -4.892 1.921 -13.467 1.00 0.00 O ATOM 0 H GLU A 110 -4.525 -0.542 -7.558 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.620 1.880 -8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.394 0.557 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.706 -0.232 -10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.509 2.280 -11.083 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.816 2.632 -10.795 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.771 0.605 -9.026 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.046 -0.108 -9.162 1.00 0.00 C ATOM 1708 C PRO A 111 -9.054 -1.072 -10.346 1.00 0.00 C ATOM 1709 O PRO A 111 -8.530 -0.761 -11.415 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.054 1.020 -9.382 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.465 2.183 -8.662 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.973 2.055 -8.817 1.00 0.00 C ATOM 0 HA PRO A 111 -9.261 -0.731 -8.293 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.187 1.234 -10.443 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.035 0.761 -8.984 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.822 3.123 -9.082 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.750 2.176 -7.610 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.606 2.637 -9.662 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.445 2.410 -7.932 1.00 0.00 H new ATOM 1720 N VAL A 112 -9.647 -2.242 -10.139 1.00 0.00 N ATOM 1721 CA VAL A 112 -9.723 -3.256 -11.186 1.00 0.00 C ATOM 1722 C VAL A 112 -10.623 -2.803 -12.328 1.00 0.00 C ATOM 1723 O VAL A 112 -11.576 -2.052 -12.121 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.245 -4.594 -10.632 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.271 -5.169 -9.616 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -11.625 -4.418 -10.017 1.00 0.00 C ATOM 0 H VAL A 112 -10.082 -2.513 -9.257 1.00 0.00 H new ATOM 0 HA VAL A 112 -8.710 -3.398 -11.564 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.329 -5.298 -11.460 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.658 -6.115 -9.236 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.305 -5.337 -10.093 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.151 -4.468 -8.790 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.976 -5.375 -9.631 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.571 -3.696 -9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.318 -4.056 -10.776 1.00 0.00 H new