USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 411 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 37 TYR OH : rot 15:sc= -2.11 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.124 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 34:sc= 0.224 USER MOD Single : A 18 SER OG : rot 180:sc= 0.145 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= -0.19 (180deg=-1.1) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -121:sc= 0 (180deg=-0.043) USER MOD Single : A 56 LYS NZ :NH3+ 131:sc= -0.0755 (180deg=-0.52) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -3.906 -3.514 -30.780 1.00 0.00 N ATOM 125 CA MET A 1 -4.769 -4.689 -30.463 1.00 0.00 C ATOM 126 C MET A 1 -5.550 -4.424 -29.191 1.00 0.00 C ATOM 127 O MET A 1 -5.551 -3.321 -28.676 1.00 0.00 O ATOM 128 CB MET A 1 -3.912 -5.943 -30.303 1.00 0.00 C ATOM 129 CG MET A 1 -3.787 -6.629 -31.657 1.00 0.00 C ATOM 130 SD MET A 1 -2.184 -7.463 -31.778 1.00 0.00 S ATOM 131 CE MET A 1 -2.264 -7.851 -33.544 1.00 0.00 C ATOM 0 H1 MET A 1 -4.048 -3.236 -31.772 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.159 -2.720 -30.158 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.908 -3.766 -30.631 1.00 0.00 H new ATOM 0 HA MET A 1 -5.469 -4.847 -31.283 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.926 -5.680 -29.921 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.365 -6.619 -29.578 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.593 -7.351 -31.785 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.887 -5.895 -32.457 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.358 -8.378 -33.842 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.131 -8.482 -33.739 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.351 -6.927 -34.116 1.00 0.00 H new ATOM 141 N GLU A 2 -6.229 -5.424 -28.681 1.00 0.00 N ATOM 142 CA GLU A 2 -7.005 -5.252 -27.485 1.00 0.00 C ATOM 143 C GLU A 2 -6.522 -6.283 -26.489 1.00 0.00 C ATOM 144 O GLU A 2 -5.807 -7.197 -26.838 1.00 0.00 O ATOM 145 CB GLU A 2 -8.455 -5.548 -27.835 1.00 0.00 C ATOM 146 CG GLU A 2 -9.229 -4.266 -28.167 1.00 0.00 C ATOM 147 CD GLU A 2 -9.514 -3.452 -26.904 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.212 -3.951 -26.049 1.00 0.00 O ATOM 149 OE2 GLU A 2 -9.049 -2.331 -26.831 1.00 0.00 O ATOM 0 H GLU A 2 -6.257 -6.363 -29.078 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.910 -4.246 -27.076 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.493 -6.227 -28.687 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.935 -6.057 -26.999 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.655 -3.663 -28.870 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.168 -4.521 -28.658 1.00 0.00 H new ATOM 156 N ALA A 3 -6.924 -6.156 -25.279 1.00 0.00 N ATOM 157 CA ALA A 3 -6.533 -7.148 -24.244 1.00 0.00 C ATOM 158 C ALA A 3 -7.620 -7.223 -23.182 1.00 0.00 C ATOM 159 O ALA A 3 -7.918 -6.263 -22.514 1.00 0.00 O ATOM 160 CB ALA A 3 -5.227 -6.758 -23.619 1.00 0.00 C ATOM 0 H ALA A 3 -7.518 -5.397 -24.944 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.414 -8.126 -24.710 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.952 -7.493 -22.862 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.454 -6.720 -24.386 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.325 -5.777 -23.153 1.00 0.00 H new ATOM 166 N ILE A 4 -8.231 -8.357 -23.050 1.00 0.00 N ATOM 167 CA ILE A 4 -9.347 -8.518 -22.067 1.00 0.00 C ATOM 168 C ILE A 4 -8.896 -8.253 -20.663 1.00 0.00 C ATOM 169 O ILE A 4 -8.062 -8.942 -20.142 1.00 0.00 O ATOM 170 CB ILE A 4 -9.907 -9.936 -22.135 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.076 -10.085 -21.141 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.836 -10.953 -21.805 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.223 -10.759 -21.836 1.00 0.00 C ATOM 0 H ILE A 4 -8.008 -9.196 -23.585 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.114 -7.791 -22.333 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.261 -10.116 -23.150 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.763 -10.670 -20.276 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.382 -9.107 -20.770 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.258 -11.957 -21.860 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.017 -10.864 -22.519 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.460 -10.772 -20.798 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.055 -10.869 -21.141 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.538 -10.155 -22.687 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.909 -11.743 -22.185 1.00 0.00 H new ATOM 185 N ALA A 5 -9.513 -7.313 -20.031 1.00 0.00 N ATOM 186 CA ALA A 5 -9.182 -7.051 -18.597 1.00 0.00 C ATOM 187 C ALA A 5 -9.836 -8.170 -17.768 1.00 0.00 C ATOM 188 O ALA A 5 -11.005 -8.111 -17.442 1.00 0.00 O ATOM 189 CB ALA A 5 -9.743 -5.702 -18.148 1.00 0.00 C ATOM 0 H ALA A 5 -10.231 -6.710 -20.432 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.101 -7.030 -18.462 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.490 -5.533 -17.101 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.313 -4.908 -18.758 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.827 -5.702 -18.264 1.00 0.00 H new ATOM 195 N LYS A 6 -9.096 -9.200 -17.464 1.00 0.00 N ATOM 196 CA LYS A 6 -9.658 -10.359 -16.694 1.00 0.00 C ATOM 197 C LYS A 6 -10.323 -9.898 -15.385 1.00 0.00 C ATOM 198 O LYS A 6 -11.208 -10.562 -14.874 1.00 0.00 O ATOM 199 CB LYS A 6 -8.531 -11.329 -16.332 1.00 0.00 C ATOM 200 CG LYS A 6 -7.821 -11.809 -17.591 1.00 0.00 C ATOM 201 CD LYS A 6 -6.453 -12.379 -17.211 1.00 0.00 C ATOM 202 CE LYS A 6 -6.628 -13.774 -16.608 1.00 0.00 C ATOM 203 NZ LYS A 6 -5.292 -14.415 -16.443 1.00 0.00 N ATOM 0 H LYS A 6 -8.112 -9.294 -17.717 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.405 -10.841 -17.325 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.818 -10.838 -15.669 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.937 -12.182 -15.788 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.419 -12.570 -18.092 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.702 -10.984 -18.293 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.812 -12.430 -18.091 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.960 -11.721 -16.495 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.132 -13.705 -15.644 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.259 -14.385 -17.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.410 -15.363 -16.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.828 -14.494 -17.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.705 -13.835 -15.810 1.00 0.00 H new ATOM 217 N TYR A 7 -9.889 -8.792 -14.820 1.00 0.00 N ATOM 218 CA TYR A 7 -10.493 -8.329 -13.517 1.00 0.00 C ATOM 219 C TYR A 7 -10.402 -6.826 -13.380 1.00 0.00 C ATOM 220 O TYR A 7 -9.962 -6.121 -14.268 1.00 0.00 O ATOM 221 CB TYR A 7 -9.744 -8.961 -12.337 1.00 0.00 C ATOM 222 CG TYR A 7 -9.605 -10.449 -12.536 1.00 0.00 C ATOM 223 CD1 TYR A 7 -8.507 -10.947 -13.229 1.00 0.00 C ATOM 224 CD2 TYR A 7 -10.568 -11.324 -12.020 1.00 0.00 C ATOM 225 CE1 TYR A 7 -8.359 -12.322 -13.417 1.00 0.00 C ATOM 226 CE2 TYR A 7 -10.423 -12.705 -12.205 1.00 0.00 C ATOM 227 CZ TYR A 7 -9.317 -13.205 -12.903 1.00 0.00 C ATOM 228 OH TYR A 7 -9.172 -14.564 -13.088 1.00 0.00 O ATOM 0 H TYR A 7 -9.153 -8.194 -15.196 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.540 -8.633 -13.513 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.758 -8.507 -12.240 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.280 -8.761 -11.409 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.766 -10.267 -13.623 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -11.420 -10.936 -11.481 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.506 -12.705 -13.958 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -11.164 -13.384 -11.809 1.00 0.00 H new ATOM 0 HH TYR A 7 -9.923 -15.033 -12.668 1.00 0.00 H new ATOM 238 N ASP A 8 -10.826 -6.340 -12.251 1.00 0.00 N ATOM 239 CA ASP A 8 -10.794 -4.891 -11.984 1.00 0.00 C ATOM 240 C ASP A 8 -9.361 -4.471 -11.665 1.00 0.00 C ATOM 241 O ASP A 8 -8.500 -5.293 -11.419 1.00 0.00 O ATOM 242 CB ASP A 8 -11.691 -4.606 -10.786 1.00 0.00 C ATOM 243 CG ASP A 8 -12.881 -3.736 -11.201 1.00 0.00 C ATOM 244 OD1 ASP A 8 -12.700 -2.537 -11.310 1.00 0.00 O ATOM 245 OD2 ASP A 8 -13.953 -4.285 -11.390 1.00 0.00 O ATOM 0 H ASP A 8 -11.201 -6.905 -11.489 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.144 -4.335 -12.853 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.049 -5.544 -10.361 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.118 -4.102 -10.007 1.00 0.00 H new ATOM 250 N PHE A 9 -9.108 -3.190 -11.674 1.00 0.00 N ATOM 251 CA PHE A 9 -7.747 -2.663 -11.387 1.00 0.00 C ATOM 252 C PHE A 9 -7.794 -1.133 -11.605 1.00 0.00 C ATOM 253 O PHE A 9 -8.739 -0.621 -12.178 1.00 0.00 O ATOM 254 CB PHE A 9 -6.747 -3.329 -12.357 1.00 0.00 C ATOM 255 CG PHE A 9 -5.423 -2.633 -12.325 1.00 0.00 C ATOM 256 CD1 PHE A 9 -4.450 -3.019 -11.406 1.00 0.00 C ATOM 257 CD2 PHE A 9 -5.178 -1.611 -13.225 1.00 0.00 C ATOM 258 CE1 PHE A 9 -3.212 -2.372 -11.389 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.942 -0.956 -13.219 1.00 0.00 C ATOM 260 CZ PHE A 9 -2.955 -1.338 -12.299 1.00 0.00 C ATOM 0 H PHE A 9 -9.805 -2.473 -11.873 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.431 -2.879 -10.366 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.617 -4.377 -12.088 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.149 -3.307 -13.370 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.652 -3.817 -10.708 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.941 -1.319 -13.932 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.456 -2.668 -10.677 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.748 -0.158 -13.921 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.999 -0.836 -12.292 1.00 0.00 H new ATOM 270 N LYS A 10 -6.795 -0.406 -11.158 1.00 0.00 N ATOM 271 CA LYS A 10 -6.813 1.081 -11.358 1.00 0.00 C ATOM 272 C LYS A 10 -5.410 1.596 -11.636 1.00 0.00 C ATOM 273 O LYS A 10 -4.421 0.946 -11.352 1.00 0.00 O ATOM 274 CB LYS A 10 -7.442 1.771 -10.119 1.00 0.00 C ATOM 275 CG LYS A 10 -6.416 1.934 -8.984 1.00 0.00 C ATOM 276 CD LYS A 10 -7.143 2.246 -7.671 1.00 0.00 C ATOM 277 CE LYS A 10 -6.344 3.277 -6.865 1.00 0.00 C ATOM 278 NZ LYS A 10 -7.006 4.608 -6.971 1.00 0.00 N ATOM 0 H LYS A 10 -5.978 -0.772 -10.669 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.427 1.321 -12.226 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.830 2.749 -10.404 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.289 1.183 -9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.829 1.022 -8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.718 2.736 -9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.142 2.630 -7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.268 1.333 -7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.283 2.971 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.322 3.336 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.466 5.309 -6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.042 4.899 -7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.973 4.546 -6.593 1.00 0.00 H new ATOM 292 N ALA A 11 -5.330 2.769 -12.195 1.00 0.00 N ATOM 293 CA ALA A 11 -4.015 3.349 -12.515 1.00 0.00 C ATOM 294 C ALA A 11 -3.289 3.678 -11.209 1.00 0.00 C ATOM 295 O ALA A 11 -3.870 4.240 -10.296 1.00 0.00 O ATOM 296 CB ALA A 11 -4.191 4.620 -13.342 1.00 0.00 C ATOM 0 H ALA A 11 -6.131 3.350 -12.443 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.431 2.634 -13.094 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.213 5.042 -13.574 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.712 4.382 -14.269 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.774 5.346 -12.774 1.00 0.00 H new ATOM 302 N THR A 12 -2.032 3.332 -11.104 1.00 0.00 N ATOM 303 CA THR A 12 -1.275 3.624 -9.846 1.00 0.00 C ATOM 304 C THR A 12 -0.069 4.508 -10.169 1.00 0.00 C ATOM 305 O THR A 12 1.030 4.278 -9.698 1.00 0.00 O ATOM 306 CB THR A 12 -0.802 2.311 -9.214 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.061 1.565 -10.169 1.00 0.00 O ATOM 308 CG2 THR A 12 -2.016 1.499 -8.758 1.00 0.00 C ATOM 0 H THR A 12 -1.496 2.861 -11.833 1.00 0.00 H new ATOM 0 HA THR A 12 -1.925 4.145 -9.143 1.00 0.00 H new ATOM 0 HB THR A 12 -0.168 2.528 -8.354 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.435 2.179 -10.750 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.681 0.565 -8.308 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.582 2.072 -8.024 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.651 1.281 -9.617 1.00 0.00 H new ATOM 316 N ALA A 13 -0.272 5.521 -10.973 1.00 0.00 N ATOM 317 CA ALA A 13 0.849 6.437 -11.343 1.00 0.00 C ATOM 318 C ALA A 13 0.348 7.474 -12.309 1.00 0.00 C ATOM 319 O ALA A 13 -0.809 7.488 -12.693 1.00 0.00 O ATOM 320 CB ALA A 13 1.980 5.647 -12.008 1.00 0.00 C ATOM 0 H ALA A 13 -1.172 5.754 -11.392 1.00 0.00 H new ATOM 0 HA ALA A 13 1.225 6.916 -10.439 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.791 6.326 -12.273 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.351 4.891 -11.316 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.604 5.162 -12.909 1.00 0.00 H new ATOM 326 N ASP A 14 1.216 8.345 -12.704 1.00 0.00 N ATOM 327 CA ASP A 14 0.842 9.408 -13.649 1.00 0.00 C ATOM 328 C ASP A 14 0.909 8.885 -15.096 1.00 0.00 C ATOM 329 O ASP A 14 0.703 9.628 -16.039 1.00 0.00 O ATOM 330 CB ASP A 14 1.813 10.544 -13.452 1.00 0.00 C ATOM 331 CG ASP A 14 1.194 11.851 -13.953 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.355 12.393 -13.253 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.572 12.289 -15.028 1.00 0.00 O ATOM 0 H ASP A 14 2.191 8.363 -12.404 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.180 9.743 -13.469 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.071 10.635 -12.397 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.739 10.340 -13.990 1.00 0.00 H new ATOM 338 N ASP A 15 1.183 7.607 -15.276 1.00 0.00 N ATOM 339 CA ASP A 15 1.249 7.036 -16.617 1.00 0.00 C ATOM 340 C ASP A 15 0.683 5.612 -16.587 1.00 0.00 C ATOM 341 O ASP A 15 1.048 4.777 -17.393 1.00 0.00 O ATOM 342 CB ASP A 15 2.701 7.005 -17.082 1.00 0.00 C ATOM 343 CG ASP A 15 3.005 8.259 -17.905 1.00 0.00 C ATOM 344 OD1 ASP A 15 2.410 8.410 -18.959 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.826 9.047 -17.466 1.00 0.00 O ATOM 0 H ASP A 15 1.363 6.945 -14.521 1.00 0.00 H new ATOM 0 HA ASP A 15 0.664 7.644 -17.307 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.368 6.953 -16.221 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.882 6.112 -17.681 1.00 0.00 H new ATOM 350 N GLU A 16 -0.210 5.330 -15.657 1.00 0.00 N ATOM 351 CA GLU A 16 -0.798 3.969 -15.574 1.00 0.00 C ATOM 352 C GLU A 16 -2.239 4.024 -16.080 1.00 0.00 C ATOM 353 O GLU A 16 -2.759 5.091 -16.363 1.00 0.00 O ATOM 354 CB GLU A 16 -0.755 3.493 -14.123 1.00 0.00 C ATOM 355 CG GLU A 16 -0.875 1.966 -14.083 1.00 0.00 C ATOM 356 CD GLU A 16 0.042 1.375 -12.990 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.834 2.115 -12.423 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.065 0.186 -12.743 1.00 0.00 O ATOM 0 H GLU A 16 -0.549 5.991 -14.958 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.232 3.269 -16.188 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.177 3.808 -13.653 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.567 3.947 -13.556 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.909 1.682 -13.889 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.607 1.550 -15.054 1.00 0.00 H new ATOM 365 N LEU A 17 -2.883 2.890 -16.229 1.00 0.00 N ATOM 366 CA LEU A 17 -4.283 2.895 -16.756 1.00 0.00 C ATOM 367 C LEU A 17 -5.258 2.282 -15.749 1.00 0.00 C ATOM 368 O LEU A 17 -4.910 1.422 -14.966 1.00 0.00 O ATOM 369 CB LEU A 17 -4.323 2.104 -18.076 1.00 0.00 C ATOM 370 CG LEU A 17 -5.740 2.120 -18.670 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.133 3.554 -19.066 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.780 1.209 -19.912 1.00 0.00 C ATOM 0 H LEU A 17 -2.503 1.969 -16.010 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.589 3.927 -16.928 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.619 2.536 -18.787 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.008 1.076 -17.900 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.446 1.756 -17.924 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.139 3.553 -19.486 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.108 4.195 -18.184 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.430 3.932 -19.809 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.784 1.217 -20.337 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.069 1.573 -20.654 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.516 0.191 -19.625 1.00 0.00 H new ATOM 384 N SER A 18 -6.488 2.741 -15.776 1.00 0.00 N ATOM 385 CA SER A 18 -7.514 2.227 -14.850 1.00 0.00 C ATOM 386 C SER A 18 -8.594 1.484 -15.642 1.00 0.00 C ATOM 387 O SER A 18 -9.024 1.939 -16.688 1.00 0.00 O ATOM 388 CB SER A 18 -8.142 3.395 -14.139 1.00 0.00 C ATOM 389 OG SER A 18 -7.180 4.424 -13.952 1.00 0.00 O ATOM 0 H SER A 18 -6.817 3.463 -16.417 1.00 0.00 H new ATOM 0 HA SER A 18 -7.059 1.544 -14.132 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.984 3.774 -14.718 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.537 3.075 -13.175 1.00 0.00 H new ATOM 0 HG SER A 18 -7.597 5.181 -13.490 1.00 0.00 H new ATOM 395 N PHE A 19 -9.046 0.356 -15.150 1.00 0.00 N ATOM 396 CA PHE A 19 -10.111 -0.401 -15.872 1.00 0.00 C ATOM 397 C PHE A 19 -10.809 -1.365 -14.907 1.00 0.00 C ATOM 398 O PHE A 19 -10.362 -1.580 -13.797 1.00 0.00 O ATOM 399 CB PHE A 19 -9.502 -1.174 -17.046 1.00 0.00 C ATOM 400 CG PHE A 19 -8.442 -2.127 -16.555 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.815 -3.356 -16.002 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.088 -1.789 -16.665 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.832 -4.248 -15.557 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.106 -2.679 -16.219 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.477 -3.910 -15.666 1.00 0.00 C ATOM 0 H PHE A 19 -8.723 -0.071 -14.282 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.847 0.303 -16.262 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.282 -1.726 -17.570 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.069 -0.477 -17.763 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.860 -3.617 -15.918 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.802 -0.840 -17.095 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.119 -5.197 -15.129 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.062 -2.417 -16.301 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.719 -4.599 -15.324 1.00 0.00 H new ATOM 415 N LYS A 20 -11.917 -1.925 -15.321 1.00 0.00 N ATOM 416 CA LYS A 20 -12.674 -2.855 -14.439 1.00 0.00 C ATOM 417 C LYS A 20 -12.666 -4.264 -15.016 1.00 0.00 C ATOM 418 O LYS A 20 -12.081 -4.529 -16.049 1.00 0.00 O ATOM 419 CB LYS A 20 -14.124 -2.375 -14.342 1.00 0.00 C ATOM 420 CG LYS A 20 -14.158 -0.893 -13.943 1.00 0.00 C ATOM 421 CD LYS A 20 -14.765 -0.739 -12.544 1.00 0.00 C ATOM 422 CE LYS A 20 -15.482 0.609 -12.445 1.00 0.00 C ATOM 423 NZ LYS A 20 -14.509 1.659 -12.029 1.00 0.00 N ATOM 0 H LYS A 20 -12.331 -1.774 -16.241 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.204 -2.869 -13.455 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.627 -2.515 -15.299 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.665 -2.971 -13.607 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.149 -0.481 -13.958 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.744 -0.327 -14.667 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.466 -1.551 -12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.983 -0.804 -11.787 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.925 0.869 -13.406 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.297 0.547 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.995 2.576 -11.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.106 1.412 -11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.746 1.723 -12.732 1.00 0.00 H new ATOM 437 N ARG A 21 -13.325 -5.166 -14.344 1.00 0.00 N ATOM 438 CA ARG A 21 -13.398 -6.570 -14.810 1.00 0.00 C ATOM 439 C ARG A 21 -14.303 -6.650 -16.037 1.00 0.00 C ATOM 440 O ARG A 21 -15.515 -6.624 -15.927 1.00 0.00 O ATOM 441 CB ARG A 21 -13.988 -7.405 -13.694 1.00 0.00 C ATOM 442 CG ARG A 21 -13.906 -8.885 -14.041 1.00 0.00 C ATOM 443 CD ARG A 21 -13.779 -9.680 -12.745 1.00 0.00 C ATOM 444 NE ARG A 21 -14.507 -10.973 -12.876 1.00 0.00 N ATOM 445 CZ ARG A 21 -13.922 -12.089 -12.534 1.00 0.00 C ATOM 446 NH1 ARG A 21 -13.695 -12.347 -11.274 1.00 0.00 N ATOM 447 NH2 ARG A 21 -13.565 -12.946 -13.450 1.00 0.00 N ATOM 0 H ARG A 21 -13.825 -4.981 -13.474 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.406 -6.936 -15.074 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.452 -7.212 -12.764 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.027 -7.120 -13.528 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.795 -9.195 -14.590 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.049 -9.076 -14.688 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.728 -9.864 -12.522 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.186 -9.105 -11.913 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.462 -10.986 -13.233 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.975 -11.677 -10.558 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.238 -13.219 -11.006 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.743 -12.744 -14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.108 -13.818 -13.182 1.00 0.00 H new ATOM 461 N GLY A 22 -13.724 -6.740 -17.203 1.00 0.00 N ATOM 462 CA GLY A 22 -14.542 -6.811 -18.450 1.00 0.00 C ATOM 463 C GLY A 22 -14.252 -5.593 -19.343 1.00 0.00 C ATOM 464 O GLY A 22 -14.823 -5.454 -20.409 1.00 0.00 O ATOM 0 H GLY A 22 -12.715 -6.768 -17.348 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.316 -7.730 -18.991 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.602 -6.842 -18.198 1.00 0.00 H new ATOM 468 N ASP A 23 -13.360 -4.713 -18.922 1.00 0.00 N ATOM 469 CA ASP A 23 -13.033 -3.544 -19.726 1.00 0.00 C ATOM 470 C ASP A 23 -11.790 -3.862 -20.529 1.00 0.00 C ATOM 471 O ASP A 23 -10.675 -3.716 -20.055 1.00 0.00 O ATOM 472 CB ASP A 23 -12.767 -2.348 -18.811 1.00 0.00 C ATOM 473 CG ASP A 23 -13.609 -1.149 -19.259 1.00 0.00 C ATOM 474 OD1 ASP A 23 -13.832 -1.018 -20.451 1.00 0.00 O ATOM 475 OD2 ASP A 23 -14.016 -0.382 -18.401 1.00 0.00 O ATOM 0 H ASP A 23 -12.854 -4.782 -18.039 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.860 -3.296 -20.391 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.008 -2.607 -17.780 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.708 -2.089 -18.835 1.00 0.00 H new ATOM 480 N ILE A 24 -11.969 -4.307 -21.726 1.00 0.00 N ATOM 481 CA ILE A 24 -10.803 -4.660 -22.574 1.00 0.00 C ATOM 482 C ILE A 24 -10.056 -3.375 -22.944 1.00 0.00 C ATOM 483 O ILE A 24 -10.644 -2.387 -23.337 1.00 0.00 O ATOM 484 CB ILE A 24 -11.270 -5.429 -23.823 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.325 -6.497 -23.399 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.049 -6.111 -24.450 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.565 -7.518 -24.518 1.00 0.00 C ATOM 0 H ILE A 24 -12.880 -4.445 -22.164 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.122 -5.314 -22.029 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.725 -4.753 -24.547 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.984 -7.012 -22.501 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.264 -6.004 -23.146 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.357 -6.663 -25.338 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.314 -5.356 -24.728 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.607 -6.800 -23.730 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.305 -8.249 -24.191 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.930 -7.004 -25.407 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.630 -8.028 -24.752 1.00 0.00 H new ATOM 499 N LEU A 25 -8.760 -3.384 -22.774 1.00 0.00 N ATOM 500 CA LEU A 25 -7.936 -2.169 -23.058 1.00 0.00 C ATOM 501 C LEU A 25 -7.479 -2.156 -24.511 1.00 0.00 C ATOM 502 O LEU A 25 -7.426 -3.181 -25.166 1.00 0.00 O ATOM 503 CB LEU A 25 -6.680 -2.159 -22.148 1.00 0.00 C ATOM 504 CG LEU A 25 -7.029 -2.389 -20.641 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.315 -1.660 -20.250 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.188 -3.889 -20.354 1.00 0.00 C ATOM 0 H LEU A 25 -8.230 -4.191 -22.446 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.551 -1.291 -22.863 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.989 -2.934 -22.480 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.165 -1.205 -22.256 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.208 -1.987 -20.048 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.530 -1.840 -19.197 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.192 -0.590 -20.417 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.142 -2.029 -20.857 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.431 -4.034 -19.301 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.990 -4.294 -20.971 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.256 -4.405 -20.586 1.00 0.00 H new ATOM 518 N LYS A 26 -7.126 -0.991 -25.012 1.00 0.00 N ATOM 519 CA LYS A 26 -6.646 -0.896 -26.436 1.00 0.00 C ATOM 520 C LYS A 26 -5.124 -0.769 -26.440 1.00 0.00 C ATOM 521 O LYS A 26 -4.588 0.307 -26.326 1.00 0.00 O ATOM 522 CB LYS A 26 -7.266 0.332 -27.108 1.00 0.00 C ATOM 523 CG LYS A 26 -7.497 0.038 -28.592 1.00 0.00 C ATOM 524 CD LYS A 26 -6.280 0.500 -29.398 1.00 0.00 C ATOM 525 CE LYS A 26 -6.317 2.021 -29.551 1.00 0.00 C ATOM 526 NZ LYS A 26 -7.521 2.412 -30.337 1.00 0.00 N ATOM 0 H LYS A 26 -7.149 -0.108 -24.502 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.943 -1.790 -26.984 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.210 0.587 -26.625 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.608 1.193 -26.995 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.662 -1.029 -28.741 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.394 0.551 -28.940 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.361 0.197 -28.896 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.279 0.025 -30.379 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.340 2.495 -28.570 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.414 2.369 -30.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.327 3.294 -30.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.753 1.658 -31.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.324 2.558 -29.692 1.00 0.00 H new ATOM 540 N VAL A 27 -4.425 -1.872 -26.556 1.00 0.00 N ATOM 541 CA VAL A 27 -2.923 -1.825 -26.538 1.00 0.00 C ATOM 542 C VAL A 27 -2.396 -0.876 -27.622 1.00 0.00 C ATOM 543 O VAL A 27 -2.394 -1.192 -28.797 1.00 0.00 O ATOM 544 CB VAL A 27 -2.356 -3.241 -26.746 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.820 -3.200 -26.689 1.00 0.00 C ATOM 546 CG2 VAL A 27 -2.873 -4.161 -25.633 1.00 0.00 C ATOM 0 H VAL A 27 -4.826 -2.804 -26.662 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.597 -1.448 -25.569 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.674 -3.617 -27.719 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.423 -4.205 -26.837 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.444 -2.543 -27.473 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.502 -2.824 -25.717 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.474 -5.165 -25.776 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.551 -3.777 -24.665 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.962 -4.195 -25.666 1.00 0.00 H new ATOM 556 N LEU A 28 -1.928 0.282 -27.217 1.00 0.00 N ATOM 557 CA LEU A 28 -1.374 1.259 -28.190 1.00 0.00 C ATOM 558 C LEU A 28 0.103 0.958 -28.379 1.00 0.00 C ATOM 559 O LEU A 28 0.669 1.252 -29.419 1.00 0.00 O ATOM 560 CB LEU A 28 -1.486 2.727 -27.679 1.00 0.00 C ATOM 561 CG LEU A 28 -2.693 2.932 -26.736 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.188 3.274 -25.318 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.569 4.086 -27.263 1.00 0.00 C ATOM 0 H LEU A 28 -1.909 0.588 -26.244 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.943 1.166 -29.115 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.569 2.997 -27.155 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.576 3.400 -28.532 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.283 2.016 -26.699 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.040 3.418 -24.653 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.571 2.457 -24.945 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.596 4.189 -25.353 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.420 4.230 -26.597 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.979 5.002 -27.302 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.928 3.843 -28.263 1.00 0.00 H new ATOM 575 N ASN A 29 0.754 0.398 -27.370 1.00 0.00 N ATOM 576 CA ASN A 29 2.217 0.128 -27.528 1.00 0.00 C ATOM 577 C ASN A 29 2.694 -1.028 -26.646 1.00 0.00 C ATOM 578 O ASN A 29 2.129 -1.336 -25.609 1.00 0.00 O ATOM 579 CB ASN A 29 3.004 1.388 -27.164 1.00 0.00 C ATOM 580 CG ASN A 29 4.248 1.488 -28.049 1.00 0.00 C ATOM 581 OD1 ASN A 29 4.148 1.485 -29.260 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.424 1.575 -27.493 1.00 0.00 N ATOM 0 H ASN A 29 0.344 0.127 -26.476 1.00 0.00 H new ATOM 0 HA ASN A 29 2.388 -0.153 -28.567 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.379 2.271 -27.297 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.294 1.358 -26.114 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.259 1.641 -28.074 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.509 1.578 -26.477 1.00 0.00 H new ATOM 673 N TRP A 36 3.371 -6.092 -18.214 1.00 0.00 N ATOM 674 CA TRP A 36 2.240 -5.106 -18.379 1.00 0.00 C ATOM 675 C TRP A 36 2.176 -4.677 -19.858 1.00 0.00 C ATOM 676 O TRP A 36 2.979 -5.098 -20.670 1.00 0.00 O ATOM 677 CB TRP A 36 2.446 -3.854 -17.480 1.00 0.00 C ATOM 678 CG TRP A 36 2.695 -4.237 -16.030 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.677 -5.070 -15.593 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.990 -3.781 -14.812 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.611 -5.157 -14.213 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.606 -4.385 -13.689 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.891 -2.918 -14.568 1.00 0.00 C ATOM 684 CZ2 TRP A 36 2.169 -4.144 -12.385 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.456 -2.680 -13.245 1.00 0.00 C ATOM 686 CH2 TRP A 36 1.098 -3.287 -12.163 1.00 0.00 C ATOM 0 HA TRP A 36 1.308 -5.583 -18.077 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.290 -3.273 -17.853 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.566 -3.213 -17.541 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.392 -5.581 -16.221 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.239 -5.730 -13.650 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.386 -2.442 -15.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.662 -4.622 -11.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.382 -2.022 -13.068 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.762 -3.090 -11.155 1.00 0.00 H new ATOM 697 N TYR A 37 1.223 -3.850 -20.208 1.00 0.00 N ATOM 698 CA TYR A 37 1.083 -3.387 -21.629 1.00 0.00 C ATOM 699 C TYR A 37 0.682 -1.920 -21.646 1.00 0.00 C ATOM 700 O TYR A 37 0.022 -1.450 -20.746 1.00 0.00 O ATOM 701 CB TYR A 37 -0.071 -4.119 -22.326 1.00 0.00 C ATOM 702 CG TYR A 37 0.185 -5.591 -22.483 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.418 -6.062 -22.940 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.852 -6.487 -22.205 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.615 -7.438 -23.113 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.666 -7.854 -22.380 1.00 0.00 C ATOM 707 CZ TYR A 37 0.570 -8.337 -22.835 1.00 0.00 C ATOM 708 OH TYR A 37 0.757 -9.696 -23.019 1.00 0.00 O ATOM 0 H TYR A 37 0.528 -3.470 -19.566 1.00 0.00 H new ATOM 0 HA TYR A 37 2.036 -3.572 -22.126 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.987 -3.973 -21.753 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.236 -3.676 -23.308 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.216 -5.368 -23.159 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.803 -6.115 -21.852 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.569 -7.808 -23.460 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.471 -8.542 -22.166 1.00 0.00 H new ATOM 0 HH TYR A 37 1.714 -9.885 -23.111 1.00 0.00 H new ATOM 718 N LYS A 38 0.993 -1.214 -22.701 1.00 0.00 N ATOM 719 CA LYS A 38 0.535 0.190 -22.798 1.00 0.00 C ATOM 720 C LYS A 38 -0.778 0.143 -23.575 1.00 0.00 C ATOM 721 O LYS A 38 -0.843 -0.470 -24.624 1.00 0.00 O ATOM 722 CB LYS A 38 1.558 1.039 -23.546 1.00 0.00 C ATOM 723 CG LYS A 38 1.248 2.519 -23.315 1.00 0.00 C ATOM 724 CD LYS A 38 1.396 3.295 -24.631 1.00 0.00 C ATOM 725 CE LYS A 38 2.356 4.466 -24.423 1.00 0.00 C ATOM 726 NZ LYS A 38 2.281 5.386 -25.594 1.00 0.00 N ATOM 0 H LYS A 38 1.541 -1.552 -23.492 1.00 0.00 H new ATOM 0 HA LYS A 38 0.408 0.637 -21.812 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.565 0.807 -23.198 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.528 0.811 -24.611 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.235 2.631 -22.928 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.923 2.928 -22.563 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.772 2.637 -25.414 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.424 3.661 -24.962 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.100 5.002 -23.509 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.375 4.098 -24.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.934 6.183 -25.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.546 4.871 -26.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.310 5.747 -25.690 1.00 0.00 H new ATOM 740 N ALA A 39 -1.836 0.727 -23.060 1.00 0.00 N ATOM 741 CA ALA A 39 -3.149 0.639 -23.782 1.00 0.00 C ATOM 742 C ALA A 39 -4.057 1.761 -23.425 1.00 0.00 C ATOM 743 O ALA A 39 -3.666 2.707 -22.775 1.00 0.00 O ATOM 744 CB ALA A 39 -3.792 -0.687 -23.447 1.00 0.00 C ATOM 0 H ALA A 39 -1.850 1.252 -22.186 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.965 0.712 -24.854 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.748 -0.768 -23.964 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.138 -1.499 -23.764 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.954 -0.751 -22.371 1.00 0.00 H new ATOM 750 N GLU A 40 -5.267 1.708 -23.919 1.00 0.00 N ATOM 751 CA GLU A 40 -6.176 2.829 -23.680 1.00 0.00 C ATOM 752 C GLU A 40 -7.656 2.436 -23.752 1.00 0.00 C ATOM 753 O GLU A 40 -8.114 1.763 -24.652 1.00 0.00 O ATOM 754 CB GLU A 40 -5.796 3.918 -24.708 1.00 0.00 C ATOM 755 CG GLU A 40 -6.925 4.227 -25.722 1.00 0.00 C ATOM 756 CD GLU A 40 -6.530 5.430 -26.582 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.298 6.486 -26.016 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.471 5.276 -27.791 1.00 0.00 O ATOM 0 H GLU A 40 -5.647 0.938 -24.470 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.062 3.199 -22.661 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.534 4.833 -24.177 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.907 3.600 -25.252 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.106 3.359 -26.355 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.855 4.435 -25.193 1.00 0.00 H new ATOM 765 N LEU A 41 -8.382 2.928 -22.813 1.00 0.00 N ATOM 766 CA LEU A 41 -9.857 2.687 -22.760 1.00 0.00 C ATOM 767 C LEU A 41 -10.619 3.861 -23.265 1.00 0.00 C ATOM 768 O LEU A 41 -10.941 4.788 -22.552 1.00 0.00 O ATOM 769 CB LEU A 41 -10.318 2.361 -21.355 1.00 0.00 C ATOM 770 CG LEU A 41 -10.255 0.878 -21.176 1.00 0.00 C ATOM 771 CD1 LEU A 41 -10.247 0.550 -19.683 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.483 0.259 -21.844 1.00 0.00 C ATOM 0 H LEU A 41 -8.020 3.504 -22.053 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.055 1.831 -23.405 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.685 2.860 -20.622 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.335 2.721 -21.195 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.349 0.476 -21.629 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.201 -0.531 -19.548 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.378 1.011 -19.214 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.156 0.935 -19.221 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.455 -0.824 -21.724 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.387 0.652 -21.379 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.483 0.507 -22.905 1.00 0.00 H new ATOM 784 N ASN A 42 -10.960 3.776 -24.492 1.00 0.00 N ATOM 785 CA ASN A 42 -11.780 4.825 -25.161 1.00 0.00 C ATOM 786 C ASN A 42 -11.382 6.278 -24.782 1.00 0.00 C ATOM 787 O ASN A 42 -12.190 7.185 -24.899 1.00 0.00 O ATOM 788 CB ASN A 42 -13.217 4.612 -24.750 1.00 0.00 C ATOM 789 CG ASN A 42 -13.910 3.670 -25.739 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.911 2.470 -25.553 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.501 4.168 -26.790 1.00 0.00 N ATOM 0 H ASN A 42 -10.702 2.997 -25.098 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.618 4.725 -26.234 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.258 4.192 -23.745 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.740 5.568 -24.718 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.964 3.549 -27.456 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.500 5.176 -26.946 1.00 0.00 H new ATOM 798 N GLY A 43 -10.182 6.509 -24.336 1.00 0.00 N ATOM 799 CA GLY A 43 -9.779 7.906 -23.956 1.00 0.00 C ATOM 800 C GLY A 43 -8.675 7.865 -22.903 1.00 0.00 C ATOM 801 O GLY A 43 -7.731 8.635 -22.955 1.00 0.00 O ATOM 0 H GLY A 43 -9.459 5.800 -24.215 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.432 8.445 -24.837 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.641 8.449 -23.569 1.00 0.00 H new ATOM 805 N LYS A 44 -8.765 6.953 -21.960 1.00 0.00 N ATOM 806 CA LYS A 44 -7.727 6.838 -20.942 1.00 0.00 C ATOM 807 C LYS A 44 -6.665 5.957 -21.484 1.00 0.00 C ATOM 808 O LYS A 44 -6.827 5.344 -22.518 1.00 0.00 O ATOM 809 CB LYS A 44 -8.278 6.225 -19.668 1.00 0.00 C ATOM 810 CG LYS A 44 -8.785 7.334 -18.764 1.00 0.00 C ATOM 811 CD LYS A 44 -9.672 6.741 -17.665 1.00 0.00 C ATOM 812 CE LYS A 44 -10.912 6.105 -18.296 1.00 0.00 C ATOM 813 NZ LYS A 44 -12.073 6.250 -17.372 1.00 0.00 N ATOM 0 H LYS A 44 -9.532 6.286 -21.871 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.341 7.828 -20.701 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.086 5.532 -19.903 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.503 5.651 -19.161 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.944 7.866 -18.318 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.350 8.062 -19.347 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.116 5.994 -17.098 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.968 7.520 -16.962 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.132 6.583 -19.251 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.728 5.051 -18.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.915 5.817 -17.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.861 5.775 -16.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.253 7.259 -17.197 1.00 0.00 H new ATOM 827 N ASP A 45 -5.577 5.892 -20.811 1.00 0.00 N ATOM 828 CA ASP A 45 -4.477 5.056 -21.282 1.00 0.00 C ATOM 829 C ASP A 45 -3.393 4.860 -20.203 1.00 0.00 C ATOM 830 O ASP A 45 -3.482 5.364 -19.100 1.00 0.00 O ATOM 831 CB ASP A 45 -3.912 5.725 -22.555 1.00 0.00 C ATOM 832 CG ASP A 45 -2.670 6.607 -22.271 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.854 7.734 -21.842 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.568 6.132 -22.493 1.00 0.00 O ATOM 0 H ASP A 45 -5.401 6.392 -19.939 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.837 4.052 -21.509 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.646 4.953 -23.278 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.689 6.337 -23.013 1.00 0.00 H new ATOM 839 N GLY A 46 -2.357 4.143 -20.560 1.00 0.00 N ATOM 840 CA GLY A 46 -1.229 3.908 -19.624 1.00 0.00 C ATOM 841 C GLY A 46 -0.957 2.407 -19.460 1.00 0.00 C ATOM 842 O GLY A 46 -1.630 1.571 -20.025 1.00 0.00 O ATOM 0 H GLY A 46 -2.249 3.706 -21.476 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.333 4.405 -19.996 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.459 4.348 -18.654 1.00 0.00 H new ATOM 846 N PHE A 47 0.055 2.077 -18.698 1.00 0.00 N ATOM 847 CA PHE A 47 0.437 0.641 -18.487 1.00 0.00 C ATOM 848 C PHE A 47 -0.721 -0.164 -17.878 1.00 0.00 C ATOM 849 O PHE A 47 -1.598 0.376 -17.231 1.00 0.00 O ATOM 850 CB PHE A 47 1.642 0.579 -17.535 1.00 0.00 C ATOM 851 CG PHE A 47 2.730 1.523 -18.013 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.180 1.464 -19.339 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.285 2.458 -17.127 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.181 2.339 -19.778 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.286 3.332 -17.568 1.00 0.00 C ATOM 856 CZ PHE A 47 4.733 3.273 -18.893 1.00 0.00 C ATOM 0 H PHE A 47 0.643 2.749 -18.205 1.00 0.00 H new ATOM 0 HA PHE A 47 0.685 0.207 -19.455 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.333 0.849 -16.525 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.027 -0.440 -17.489 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.755 0.744 -20.022 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.940 2.504 -16.105 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.528 2.293 -20.800 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.713 4.052 -16.886 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.504 3.948 -19.233 1.00 0.00 H new ATOM 866 N ILE A 48 -0.710 -1.467 -18.075 1.00 0.00 N ATOM 867 CA ILE A 48 -1.781 -2.341 -17.505 1.00 0.00 C ATOM 868 C ILE A 48 -1.150 -3.715 -17.128 1.00 0.00 C ATOM 869 O ILE A 48 -0.552 -4.347 -17.961 1.00 0.00 O ATOM 870 CB ILE A 48 -2.902 -2.551 -18.542 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.302 -2.856 -19.925 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.746 -1.282 -18.632 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.269 -3.731 -20.729 1.00 0.00 C ATOM 0 H ILE A 48 0.003 -1.961 -18.611 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.210 -1.869 -16.621 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.520 -3.393 -18.230 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.108 -1.927 -20.460 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.345 -3.365 -19.812 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.541 -1.425 -19.364 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.185 -1.067 -17.658 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.116 -0.447 -18.939 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.839 -3.944 -21.708 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.441 -4.667 -20.197 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.216 -3.206 -20.855 1.00 0.00 H new ATOM 885 N PRO A 49 -1.281 -4.143 -15.876 1.00 0.00 N ATOM 886 CA PRO A 49 -0.691 -5.415 -15.439 1.00 0.00 C ATOM 887 C PRO A 49 -1.371 -6.616 -16.077 1.00 0.00 C ATOM 888 O PRO A 49 -2.447 -7.003 -15.717 1.00 0.00 O ATOM 889 CB PRO A 49 -0.850 -5.419 -13.926 1.00 0.00 C ATOM 890 CG PRO A 49 -1.982 -4.405 -13.614 1.00 0.00 C ATOM 891 CD PRO A 49 -2.023 -3.436 -14.824 1.00 0.00 C ATOM 0 HA PRO A 49 0.353 -5.496 -15.743 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.106 -6.414 -13.563 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.079 -5.130 -13.435 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.938 -4.913 -13.486 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.781 -3.867 -12.688 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.047 -3.226 -15.132 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.560 -2.479 -14.584 1.00 0.00 H new ATOM 899 N LYS A 50 -0.699 -7.189 -17.026 1.00 0.00 N ATOM 900 CA LYS A 50 -1.182 -8.386 -17.772 1.00 0.00 C ATOM 901 C LYS A 50 -1.827 -9.456 -16.861 1.00 0.00 C ATOM 902 O LYS A 50 -2.567 -10.285 -17.342 1.00 0.00 O ATOM 903 CB LYS A 50 0.032 -8.997 -18.436 1.00 0.00 C ATOM 904 CG LYS A 50 -0.382 -9.936 -19.541 1.00 0.00 C ATOM 905 CD LYS A 50 0.888 -10.435 -20.213 1.00 0.00 C ATOM 906 CE LYS A 50 0.589 -11.702 -21.015 1.00 0.00 C ATOM 907 NZ LYS A 50 1.868 -12.307 -21.488 1.00 0.00 N ATOM 0 H LYS A 50 0.216 -6.860 -17.334 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.951 -8.069 -18.477 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.667 -8.209 -18.840 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.625 -9.536 -17.697 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.958 -10.770 -19.140 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.021 -9.424 -20.260 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.289 -9.664 -20.871 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.650 -10.641 -19.462 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.044 -12.416 -20.397 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.049 -11.464 -21.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.664 -13.169 -22.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.372 -11.626 -22.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.462 -12.548 -20.669 1.00 0.00 H new ATOM 921 N ASN A 51 -1.544 -9.473 -15.567 1.00 0.00 N ATOM 922 CA ASN A 51 -2.135 -10.490 -14.684 1.00 0.00 C ATOM 923 C ASN A 51 -3.657 -10.440 -14.768 1.00 0.00 C ATOM 924 O ASN A 51 -4.318 -11.460 -14.856 1.00 0.00 O ATOM 925 CB ASN A 51 -1.673 -10.219 -13.289 1.00 0.00 C ATOM 926 CG ASN A 51 -0.370 -10.975 -13.009 1.00 0.00 C ATOM 927 OD1 ASN A 51 0.652 -10.688 -13.601 1.00 0.00 O ATOM 928 ND2 ASN A 51 -0.363 -11.935 -12.125 1.00 0.00 N ATOM 0 H ASN A 51 -0.922 -8.811 -15.103 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.819 -11.487 -14.990 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.519 -9.149 -13.150 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.440 -10.525 -12.578 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.500 -12.444 -11.931 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.220 -12.177 -11.628 1.00 0.00 H new ATOM 935 N TYR A 52 -4.209 -9.261 -14.782 1.00 0.00 N ATOM 936 CA TYR A 52 -5.671 -9.118 -14.907 1.00 0.00 C ATOM 937 C TYR A 52 -5.974 -8.804 -16.348 1.00 0.00 C ATOM 938 O TYR A 52 -6.783 -7.940 -16.651 1.00 0.00 O ATOM 939 CB TYR A 52 -6.172 -7.960 -14.018 1.00 0.00 C ATOM 940 CG TYR A 52 -5.908 -8.187 -12.579 1.00 0.00 C ATOM 941 CD1 TYR A 52 -5.899 -9.465 -12.020 1.00 0.00 C ATOM 942 CD2 TYR A 52 -5.707 -7.078 -11.790 1.00 0.00 C ATOM 943 CE1 TYR A 52 -5.683 -9.613 -10.661 1.00 0.00 C ATOM 944 CE2 TYR A 52 -5.491 -7.212 -10.448 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.476 -8.482 -9.861 1.00 0.00 C ATOM 946 OH TYR A 52 -5.260 -8.619 -8.505 1.00 0.00 O ATOM 0 H TYR A 52 -3.696 -8.382 -14.711 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.167 -10.036 -14.591 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.690 -7.034 -14.330 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.243 -7.828 -14.170 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.059 -10.332 -12.643 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.720 -6.094 -12.235 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.674 -10.598 -10.218 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.331 -6.335 -9.838 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.134 -7.734 -8.103 1.00 0.00 H new ATOM 956 N ILE A 53 -5.312 -9.481 -17.259 1.00 0.00 N ATOM 957 CA ILE A 53 -5.558 -9.204 -18.684 1.00 0.00 C ATOM 958 C ILE A 53 -5.125 -10.359 -19.581 1.00 0.00 C ATOM 959 O ILE A 53 -4.364 -11.228 -19.200 1.00 0.00 O ATOM 960 CB ILE A 53 -4.810 -7.948 -19.176 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.254 -7.117 -18.023 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.748 -7.074 -20.009 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.431 -6.003 -18.606 1.00 0.00 C ATOM 0 H ILE A 53 -4.620 -10.205 -17.065 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.635 -9.053 -18.754 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.971 -8.293 -19.781 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.066 -6.714 -17.418 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.644 -7.737 -17.366 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.212 -6.189 -20.352 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.104 -7.640 -20.870 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.598 -6.769 -19.399 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.022 -5.393 -17.801 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.615 -6.423 -19.194 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.059 -5.384 -19.247 1.00 0.00 H new ATOM 975 N GLU A 54 -5.562 -10.301 -20.809 1.00 0.00 N ATOM 976 CA GLU A 54 -5.168 -11.290 -21.811 1.00 0.00 C ATOM 977 C GLU A 54 -4.997 -10.574 -23.138 1.00 0.00 C ATOM 978 O GLU A 54 -5.482 -9.474 -23.330 1.00 0.00 O ATOM 979 CB GLU A 54 -6.187 -12.448 -21.892 1.00 0.00 C ATOM 980 CG GLU A 54 -6.813 -12.635 -23.304 1.00 0.00 C ATOM 981 CD GLU A 54 -7.801 -13.805 -23.276 1.00 0.00 C ATOM 982 OE1 GLU A 54 -7.563 -14.738 -22.528 1.00 0.00 O ATOM 983 OE2 GLU A 54 -8.777 -13.746 -24.006 1.00 0.00 O ATOM 0 H GLU A 54 -6.195 -9.580 -21.155 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.221 -11.752 -21.531 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.694 -13.375 -21.598 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.985 -12.269 -21.172 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.323 -11.722 -23.611 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.030 -12.824 -24.038 1.00 0.00 H new ATOM 990 N MET A 55 -4.313 -11.201 -24.036 1.00 0.00 N ATOM 991 CA MET A 55 -4.054 -10.573 -25.373 1.00 0.00 C ATOM 992 C MET A 55 -5.111 -10.975 -26.405 1.00 0.00 C ATOM 993 O MET A 55 -5.075 -12.064 -26.951 1.00 0.00 O ATOM 994 CB MET A 55 -2.676 -11.007 -25.871 1.00 0.00 C ATOM 995 CG MET A 55 -2.293 -10.173 -27.093 1.00 0.00 C ATOM 996 SD MET A 55 -0.498 -9.926 -27.127 1.00 0.00 S ATOM 997 CE MET A 55 -0.048 -11.610 -27.610 1.00 0.00 C ATOM 0 H MET A 55 -3.913 -12.131 -23.913 1.00 0.00 H new ATOM 0 HA MET A 55 -4.097 -9.491 -25.251 1.00 0.00 H new ATOM 0 HB2 MET A 55 -1.935 -10.878 -25.082 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.687 -12.066 -26.129 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.618 -10.675 -28.004 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.802 -9.209 -27.061 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.602 -12.045 -26.851 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.950 -12.215 -27.705 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.476 -11.587 -28.566 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.042 -10.092 -26.687 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.078 -10.379 -27.671 1.00 0.00 C ATOM 1009 C LYS A 56 -6.806 -9.636 -28.977 1.00 0.00 C ATOM 1010 O LYS A 56 -6.093 -8.638 -28.992 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.396 -9.924 -27.121 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.045 -11.054 -26.353 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.234 -10.505 -25.566 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.290 -9.978 -26.535 1.00 0.00 C ATOM 1015 NZ LYS A 56 -11.840 -11.107 -27.337 1.00 0.00 N ATOM 0 H LYS A 56 -6.109 -9.171 -26.254 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.089 -11.450 -27.874 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.251 -9.064 -26.468 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.048 -9.602 -27.933 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.376 -11.834 -27.039 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.324 -11.511 -25.675 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.660 -11.288 -24.938 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.905 -9.706 -24.901 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.091 -9.486 -25.983 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.851 -9.230 -27.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.879 -11.069 -27.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.505 -11.031 -28.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.521 -12.009 -26.931 1.00 0.00 H new