USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 605 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 Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= 0.509 (180deg=0.372) USER MOD Single : A 22 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.31) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.9 K(o=-0.9,f=-3.8!) USER MOD Single : A 28 HIS : no HE2:sc= -0.0585 X(o=-0.058,f=-0.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -119:sc= 0.0398 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -147:sc= 0 (180deg=-1.17) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 141:sc= 1.39 (180deg=0.38) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 123:sc= 1.23 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -21:sc= 0.51 USER MOD Single : A 53 ASN : amide:sc= -0.0377 K(o=-0.038,f=-2.7!) USER MOD Single : A 54 SER OG : rot -17:sc= -1.21! USER MOD Single : A 65 ASN : amide:sc= 0.637 K(o=0.64,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00538 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -166:sc= -0.0335 (180deg=-0.83) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 2.818 3.962 1.865 1.00 0.00 N ATOM 158 CA TYR A 14 2.127 3.125 2.816 1.00 0.00 C ATOM 159 C TYR A 14 2.254 1.680 2.398 1.00 0.00 C ATOM 160 O TYR A 14 2.646 1.385 1.268 1.00 0.00 O ATOM 161 CB TYR A 14 0.650 3.525 2.960 1.00 0.00 C ATOM 162 CG TYR A 14 0.426 4.828 3.703 1.00 0.00 C ATOM 163 CD1 TYR A 14 0.475 6.048 3.052 1.00 0.00 C ATOM 164 CD2 TYR A 14 0.160 4.825 5.063 1.00 0.00 C ATOM 165 CE1 TYR A 14 0.267 7.233 3.740 1.00 0.00 C ATOM 166 CE2 TYR A 14 -0.050 5.998 5.755 1.00 0.00 C ATOM 167 CZ TYR A 14 0.004 7.197 5.093 1.00 0.00 C ATOM 168 OH TYR A 14 -0.203 8.368 5.789 1.00 0.00 O ATOM 0 HA TYR A 14 2.589 3.261 3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.209 3.606 1.966 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.119 2.728 3.480 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.678 6.077 1.992 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.116 3.884 5.591 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.311 8.178 3.220 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.256 5.973 6.815 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.376 8.162 6.731 1.00 0.00 H new ATOM 178 N ILE A 15 1.902 0.785 3.281 1.00 0.00 N ATOM 179 CA ILE A 15 2.049 -0.620 3.023 1.00 0.00 C ATOM 180 C ILE A 15 0.681 -1.225 2.828 1.00 0.00 C ATOM 181 O ILE A 15 -0.332 -0.644 3.218 1.00 0.00 O ATOM 182 CB ILE A 15 2.752 -1.347 4.197 1.00 0.00 C ATOM 183 CG1 ILE A 15 1.753 -1.661 5.313 1.00 0.00 C ATOM 184 CG2 ILE A 15 3.886 -0.500 4.726 1.00 0.00 C ATOM 185 CD1 ILE A 15 2.363 -2.353 6.514 1.00 0.00 C ATOM 0 H ILE A 15 1.507 1.008 4.195 1.00 0.00 H new ATOM 0 HA ILE A 15 2.663 -0.739 2.130 1.00 0.00 H new ATOM 0 HB ILE A 15 3.159 -2.289 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.287 -0.732 5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.960 -2.290 4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.374 -1.019 5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.609 -0.323 3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.494 0.454 5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.589 -2.540 7.258 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.804 -3.300 6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.136 -1.718 6.946 1.00 0.00 H new ATOM 197 N LYS A 16 0.643 -2.361 2.229 1.00 0.00 N ATOM 198 CA LYS A 16 -0.600 -3.000 1.947 1.00 0.00 C ATOM 199 C LYS A 16 -0.754 -4.218 2.822 1.00 0.00 C ATOM 200 O LYS A 16 0.217 -4.865 3.161 1.00 0.00 O ATOM 201 CB LYS A 16 -0.635 -3.375 0.490 1.00 0.00 C ATOM 202 CG LYS A 16 -2.012 -3.708 -0.049 1.00 0.00 C ATOM 203 CD LYS A 16 -1.993 -3.808 -1.570 1.00 0.00 C ATOM 204 CE LYS A 16 -1.064 -4.914 -2.039 1.00 0.00 C ATOM 205 NZ LYS A 16 -1.023 -5.028 -3.514 1.00 0.00 N ATOM 0 H LYS A 16 1.467 -2.876 1.920 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.429 -2.324 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.222 -2.551 -0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.018 -4.234 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.355 -4.651 0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.723 -2.941 0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.002 -3.998 -1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.673 -2.857 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.058 -4.724 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.389 -5.863 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.376 -5.796 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.977 -5.236 -3.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.687 -4.132 -3.922 1.00 0.00 H new ATOM 219 N ILE A 17 -1.945 -4.484 3.227 1.00 0.00 N ATOM 220 CA ILE A 17 -2.225 -5.632 4.046 1.00 0.00 C ATOM 221 C ILE A 17 -3.380 -6.432 3.496 1.00 0.00 C ATOM 222 O ILE A 17 -4.416 -5.871 3.121 1.00 0.00 O ATOM 223 CB ILE A 17 -2.510 -5.245 5.512 1.00 0.00 C ATOM 224 CG1 ILE A 17 -1.235 -4.729 6.181 1.00 0.00 C ATOM 225 CG2 ILE A 17 -3.102 -6.413 6.283 1.00 0.00 C ATOM 226 CD1 ILE A 17 -1.455 -4.184 7.569 1.00 0.00 C ATOM 0 H ILE A 17 -2.762 -3.916 3.004 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.327 -6.249 4.027 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.249 -4.444 5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.508 -5.539 6.230 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.800 -3.947 5.558 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.292 -6.110 7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.038 -6.720 5.816 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.401 -7.248 6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.506 -3.837 7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.157 -3.352 7.526 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.861 -4.968 8.208 1.00 0.00 H new ATOM 238 N LYS A 18 -3.201 -7.733 3.422 1.00 0.00 N ATOM 239 CA LYS A 18 -4.261 -8.594 3.006 1.00 0.00 C ATOM 240 C LYS A 18 -4.937 -9.138 4.241 1.00 0.00 C ATOM 241 O LYS A 18 -4.386 -9.998 4.933 1.00 0.00 O ATOM 242 CB LYS A 18 -3.762 -9.775 2.173 1.00 0.00 C ATOM 243 CG LYS A 18 -2.631 -9.482 1.193 1.00 0.00 C ATOM 244 CD LYS A 18 -2.533 -10.603 0.171 1.00 0.00 C ATOM 245 CE LYS A 18 -2.252 -11.944 0.832 1.00 0.00 C ATOM 246 NZ LYS A 18 -2.257 -13.057 -0.146 1.00 0.00 N ATOM 0 H LYS A 18 -2.327 -8.208 3.647 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.943 -8.012 2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.430 -10.558 2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.605 -10.178 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.811 -8.532 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.688 -9.384 1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.464 -10.663 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.741 -10.376 -0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.285 -11.906 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.001 -12.133 1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.789 -13.887 0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.238 -13.299 -0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.747 -12.767 -1.005 1.00 0.00 H new ATOM 260 N VAL A 19 -6.100 -8.635 4.529 1.00 0.00 N ATOM 261 CA VAL A 19 -6.856 -9.098 5.650 1.00 0.00 C ATOM 262 C VAL A 19 -7.578 -10.365 5.257 1.00 0.00 C ATOM 263 O VAL A 19 -8.389 -10.350 4.352 1.00 0.00 O ATOM 264 CB VAL A 19 -7.891 -8.036 6.083 1.00 0.00 C ATOM 265 CG1 VAL A 19 -8.772 -8.562 7.189 1.00 0.00 C ATOM 266 CG2 VAL A 19 -7.196 -6.753 6.517 1.00 0.00 C ATOM 0 H VAL A 19 -6.550 -7.893 3.993 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.180 -9.286 6.484 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.523 -7.811 5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.492 -7.796 7.476 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.304 -9.447 6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.157 -8.823 8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.943 -6.018 6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.535 -6.964 7.358 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.612 -6.357 5.687 1.00 0.00 H new ATOM 276 N VAL A 20 -7.254 -11.453 5.925 1.00 0.00 N ATOM 277 CA VAL A 20 -7.860 -12.734 5.657 1.00 0.00 C ATOM 278 C VAL A 20 -8.708 -13.161 6.846 1.00 0.00 C ATOM 279 O VAL A 20 -8.209 -13.301 7.965 1.00 0.00 O ATOM 280 CB VAL A 20 -6.786 -13.819 5.378 1.00 0.00 C ATOM 281 CG1 VAL A 20 -7.432 -15.167 5.091 1.00 0.00 C ATOM 282 CG2 VAL A 20 -5.882 -13.399 4.225 1.00 0.00 C ATOM 0 H VAL A 20 -6.559 -11.470 6.672 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.485 -12.631 4.770 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.174 -13.923 6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.657 -15.909 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.025 -15.477 5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.077 -15.082 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.136 -14.174 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.481 -13.258 3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.381 -12.465 4.477 1.00 0.00 H new ATOM 292 N GLY A 21 -9.982 -13.350 6.600 1.00 0.00 N ATOM 293 CA GLY A 21 -10.892 -13.748 7.653 1.00 0.00 C ATOM 294 C GLY A 21 -10.940 -15.248 7.849 1.00 0.00 C ATOM 295 O GLY A 21 -10.210 -15.992 7.191 1.00 0.00 O ATOM 0 H GLY A 21 -10.414 -13.236 5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.590 -13.273 8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.893 -13.384 7.419 1.00 0.00 H new ATOM 299 N GLN A 22 -11.821 -15.689 8.732 1.00 0.00 N ATOM 300 CA GLN A 22 -11.964 -17.104 9.068 1.00 0.00 C ATOM 301 C GLN A 22 -12.394 -17.934 7.880 1.00 0.00 C ATOM 302 O GLN A 22 -11.951 -19.067 7.711 1.00 0.00 O ATOM 303 CB GLN A 22 -12.932 -17.298 10.229 1.00 0.00 C ATOM 304 CG GLN A 22 -12.391 -16.832 11.569 1.00 0.00 C ATOM 305 CD GLN A 22 -11.186 -17.639 12.014 1.00 0.00 C ATOM 306 OE1 GLN A 22 -10.042 -17.286 11.729 1.00 0.00 O ATOM 307 NE2 GLN A 22 -11.433 -18.732 12.711 1.00 0.00 N ATOM 0 H GLN A 22 -12.461 -15.078 9.239 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.978 -17.454 9.373 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -13.854 -16.758 10.014 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.190 -18.355 10.301 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.116 -15.779 11.501 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -13.175 -16.909 12.322 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.395 -18.992 12.928 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.662 -19.317 13.033 1.00 0.00 H new ATOM 316 N ASP A 23 -13.255 -17.382 7.063 1.00 0.00 N ATOM 317 CA ASP A 23 -13.717 -18.069 5.873 1.00 0.00 C ATOM 318 C ASP A 23 -12.789 -17.759 4.721 1.00 0.00 C ATOM 319 O ASP A 23 -13.164 -17.877 3.553 1.00 0.00 O ATOM 320 CB ASP A 23 -15.151 -17.663 5.531 1.00 0.00 C ATOM 321 CG ASP A 23 -16.141 -18.011 6.624 1.00 0.00 C ATOM 322 OD1 ASP A 23 -16.190 -19.191 7.037 1.00 0.00 O ATOM 323 OD2 ASP A 23 -16.888 -17.114 7.067 1.00 0.00 O ATOM 0 H ASP A 23 -13.655 -16.453 7.197 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.711 -19.143 6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.185 -16.589 5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.451 -18.155 4.606 1.00 0.00 H new ATOM 328 N SER A 24 -11.560 -17.368 5.074 1.00 0.00 N ATOM 329 CA SER A 24 -10.537 -16.991 4.110 1.00 0.00 C ATOM 330 C SER A 24 -10.971 -15.754 3.354 1.00 0.00 C ATOM 331 O SER A 24 -10.722 -15.605 2.157 1.00 0.00 O ATOM 332 CB SER A 24 -10.237 -18.149 3.152 1.00 0.00 C ATOM 333 OG SER A 24 -9.768 -19.285 3.867 1.00 0.00 O ATOM 0 H SER A 24 -11.251 -17.306 6.044 1.00 0.00 H new ATOM 0 HA SER A 24 -9.616 -16.762 4.646 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.137 -18.410 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.490 -17.839 2.422 1.00 0.00 H new ATOM 0 HG SER A 24 -9.584 -20.014 3.238 1.00 0.00 H new ATOM 339 N ASN A 25 -11.601 -14.850 4.079 1.00 0.00 N ATOM 340 CA ASN A 25 -12.083 -13.605 3.494 1.00 0.00 C ATOM 341 C ASN A 25 -10.927 -12.639 3.373 1.00 0.00 C ATOM 342 O ASN A 25 -10.528 -12.037 4.350 1.00 0.00 O ATOM 343 CB ASN A 25 -13.163 -12.982 4.381 1.00 0.00 C ATOM 344 CG ASN A 25 -14.259 -13.956 4.758 1.00 0.00 C ATOM 345 OD1 ASN A 25 -14.176 -14.629 5.788 1.00 0.00 O ATOM 346 ND2 ASN A 25 -15.288 -14.037 3.942 1.00 0.00 N ATOM 0 H ASN A 25 -11.793 -14.951 5.076 1.00 0.00 H new ATOM 0 HA ASN A 25 -12.508 -13.814 2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.700 -12.596 5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -13.604 -12.131 3.862 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -16.056 -14.674 4.152 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -15.318 -13.462 3.100 1.00 0.00 H new ATOM 353 N GLU A 26 -10.401 -12.494 2.180 1.00 0.00 N ATOM 354 CA GLU A 26 -9.237 -11.649 1.952 1.00 0.00 C ATOM 355 C GLU A 26 -9.608 -10.329 1.290 1.00 0.00 C ATOM 356 O GLU A 26 -10.299 -10.303 0.267 1.00 0.00 O ATOM 357 CB GLU A 26 -8.207 -12.388 1.102 1.00 0.00 C ATOM 358 CG GLU A 26 -7.042 -11.520 0.639 1.00 0.00 C ATOM 359 CD GLU A 26 -6.183 -12.195 -0.408 1.00 0.00 C ATOM 360 OE1 GLU A 26 -5.155 -12.800 -0.053 1.00 0.00 O ATOM 361 OE2 GLU A 26 -6.539 -12.121 -1.603 1.00 0.00 O ATOM 0 H GLU A 26 -10.759 -12.951 1.342 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.807 -11.418 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.815 -13.228 1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.706 -12.804 0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.430 -10.585 0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.423 -11.263 1.499 1.00 0.00 H new ATOM 368 N VAL A 27 -9.152 -9.242 1.889 1.00 0.00 N ATOM 369 CA VAL A 27 -9.367 -7.902 1.364 1.00 0.00 C ATOM 370 C VAL A 27 -8.117 -7.041 1.577 1.00 0.00 C ATOM 371 O VAL A 27 -7.418 -7.187 2.580 1.00 0.00 O ATOM 372 CB VAL A 27 -10.609 -7.239 2.008 1.00 0.00 C ATOM 373 CG1 VAL A 27 -10.474 -7.199 3.517 1.00 0.00 C ATOM 374 CG2 VAL A 27 -10.836 -5.840 1.450 1.00 0.00 C ATOM 0 H VAL A 27 -8.619 -9.263 2.758 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.555 -7.983 0.293 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.480 -7.845 1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.358 -6.729 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.379 -8.215 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.588 -6.624 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.715 -5.399 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.964 -5.220 1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.992 -5.899 0.373 1.00 0.00 H new ATOM 384 N HIS A 28 -7.826 -6.166 0.623 1.00 0.00 N ATOM 385 CA HIS A 28 -6.644 -5.318 0.704 1.00 0.00 C ATOM 386 C HIS A 28 -6.916 -3.986 1.372 1.00 0.00 C ATOM 387 O HIS A 28 -7.710 -3.178 0.892 1.00 0.00 O ATOM 388 CB HIS A 28 -6.037 -5.062 -0.677 1.00 0.00 C ATOM 389 CG HIS A 28 -5.335 -6.231 -1.288 1.00 0.00 C ATOM 390 ND1 HIS A 28 -4.914 -6.246 -2.598 1.00 0.00 N ATOM 391 CD2 HIS A 28 -4.940 -7.411 -0.759 1.00 0.00 C ATOM 392 CE1 HIS A 28 -4.293 -7.378 -2.848 1.00 0.00 C ATOM 393 NE2 HIS A 28 -4.291 -8.104 -1.750 1.00 0.00 N ATOM 0 H HIS A 28 -8.391 -6.025 -0.214 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.936 -5.872 1.320 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -6.831 -4.741 -1.352 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.332 -4.235 -0.599 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -5.061 -5.494 -3.272 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.105 -7.746 0.255 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -3.858 -7.664 -3.794 1.00 0.00 H new ATOM 401 N PHE A 29 -6.253 -3.776 2.478 1.00 0.00 N ATOM 402 CA PHE A 29 -6.257 -2.497 3.160 1.00 0.00 C ATOM 403 C PHE A 29 -4.886 -1.862 3.070 1.00 0.00 C ATOM 404 O PHE A 29 -3.869 -2.557 3.080 1.00 0.00 O ATOM 405 CB PHE A 29 -6.671 -2.631 4.622 1.00 0.00 C ATOM 406 CG PHE A 29 -8.143 -2.825 4.835 1.00 0.00 C ATOM 407 CD1 PHE A 29 -8.716 -4.079 4.794 1.00 0.00 C ATOM 408 CD2 PHE A 29 -8.955 -1.732 5.086 1.00 0.00 C ATOM 409 CE1 PHE A 29 -10.069 -4.240 4.998 1.00 0.00 C ATOM 410 CE2 PHE A 29 -10.307 -1.888 5.289 1.00 0.00 C ATOM 411 CZ PHE A 29 -10.866 -3.144 5.245 1.00 0.00 C ATOM 0 H PHE A 29 -5.689 -4.490 2.939 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.992 -1.862 2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.139 -3.474 5.062 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.353 -1.738 5.160 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.098 -4.943 4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.521 -0.744 5.123 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -10.506 -5.227 4.964 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.928 -1.026 5.483 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.927 -3.271 5.404 1.00 0.00 H new ATOM 421 N ARG A 30 -4.855 -0.555 2.963 1.00 0.00 N ATOM 422 CA ARG A 30 -3.600 0.160 2.886 1.00 0.00 C ATOM 423 C ARG A 30 -3.363 0.923 4.179 1.00 0.00 C ATOM 424 O ARG A 30 -4.156 1.791 4.555 1.00 0.00 O ATOM 425 CB ARG A 30 -3.608 1.130 1.714 1.00 0.00 C ATOM 426 CG ARG A 30 -2.271 1.800 1.465 1.00 0.00 C ATOM 427 CD ARG A 30 -1.299 0.875 0.756 1.00 0.00 C ATOM 428 NE ARG A 30 -1.749 0.527 -0.589 1.00 0.00 N ATOM 429 CZ ARG A 30 -0.960 0.028 -1.540 1.00 0.00 C ATOM 430 NH1 ARG A 30 0.352 -0.065 -1.337 1.00 0.00 N ATOM 431 NH2 ARG A 30 -1.480 -0.349 -2.703 1.00 0.00 N ATOM 0 H ARG A 30 -5.685 0.037 2.927 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.797 -0.562 2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.909 0.595 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.360 1.898 1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.421 2.698 0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.842 2.119 2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.322 1.354 0.698 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.173 -0.035 1.342 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.732 0.676 -0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.755 0.246 -0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.955 -0.447 -2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.482 -0.256 -2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.877 -0.731 -3.431 1.00 0.00 H new ATOM 445 N VAL A 31 -2.280 0.605 4.846 1.00 0.00 N ATOM 446 CA VAL A 31 -1.936 1.230 6.119 1.00 0.00 C ATOM 447 C VAL A 31 -0.449 1.543 6.177 1.00 0.00 C ATOM 448 O VAL A 31 0.295 1.204 5.280 1.00 0.00 O ATOM 449 CB VAL A 31 -2.309 0.350 7.334 1.00 0.00 C ATOM 450 CG1 VAL A 31 -3.807 0.070 7.382 1.00 0.00 C ATOM 451 CG2 VAL A 31 -1.520 -0.938 7.321 1.00 0.00 C ATOM 0 H VAL A 31 -1.607 -0.093 4.530 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.518 2.150 6.175 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.050 0.903 8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.033 -0.551 8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.351 1.012 7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.109 -0.451 6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.797 -1.543 8.184 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.738 -1.489 6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.454 -0.712 7.363 1.00 0.00 H new ATOM 461 N LYS A 32 -0.037 2.199 7.222 1.00 0.00 N ATOM 462 CA LYS A 32 1.350 2.573 7.410 1.00 0.00 C ATOM 463 C LYS A 32 2.108 1.454 8.123 1.00 0.00 C ATOM 464 O LYS A 32 1.497 0.595 8.752 1.00 0.00 O ATOM 465 CB LYS A 32 1.408 3.852 8.235 1.00 0.00 C ATOM 466 CG LYS A 32 2.770 4.516 8.278 1.00 0.00 C ATOM 467 CD LYS A 32 2.687 5.904 8.892 1.00 0.00 C ATOM 468 CE LYS A 32 2.182 5.860 10.327 1.00 0.00 C ATOM 469 NZ LYS A 32 2.085 7.214 10.921 1.00 0.00 N ATOM 0 H LYS A 32 -0.653 2.496 7.979 1.00 0.00 H new ATOM 0 HA LYS A 32 1.818 2.739 6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.685 4.562 7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.097 3.625 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.459 3.901 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.175 4.586 7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.671 6.371 8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.023 6.527 8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.203 5.381 10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.852 5.247 10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.737 7.140 11.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.024 7.662 10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.426 7.792 10.362 1.00 0.00 H new ATOM 483 N TYR A 33 3.439 1.459 8.015 1.00 0.00 N ATOM 484 CA TYR A 33 4.260 0.478 8.724 1.00 0.00 C ATOM 485 C TYR A 33 3.977 0.563 10.221 1.00 0.00 C ATOM 486 O TYR A 33 3.772 -0.447 10.882 1.00 0.00 O ATOM 487 CB TYR A 33 5.755 0.774 8.520 1.00 0.00 C ATOM 488 CG TYR A 33 6.283 0.597 7.113 1.00 0.00 C ATOM 489 CD1 TYR A 33 6.313 1.662 6.222 1.00 0.00 C ATOM 490 CD2 TYR A 33 6.778 -0.631 6.686 1.00 0.00 C ATOM 491 CE1 TYR A 33 6.817 1.511 4.945 1.00 0.00 C ATOM 492 CE2 TYR A 33 7.281 -0.792 5.408 1.00 0.00 C ATOM 493 CZ TYR A 33 7.300 0.284 4.543 1.00 0.00 C ATOM 494 OH TYR A 33 7.802 0.132 3.274 1.00 0.00 O ATOM 0 H TYR A 33 3.966 2.125 7.449 1.00 0.00 H new ATOM 0 HA TYR A 33 4.018 -0.510 8.333 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.947 1.801 8.832 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.327 0.127 9.185 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.936 2.625 6.533 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.769 -1.472 7.363 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.833 2.350 4.265 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.656 -1.753 5.089 1.00 0.00 H new ATOM 0 HH TYR A 33 8.102 -0.792 3.150 1.00 0.00 H new ATOM 504 N GLY A 34 3.907 1.791 10.727 1.00 0.00 N ATOM 505 CA GLY A 34 3.695 2.014 12.140 1.00 0.00 C ATOM 506 C GLY A 34 2.240 2.186 12.483 1.00 0.00 C ATOM 507 O GLY A 34 1.902 2.774 13.513 1.00 0.00 O ATOM 0 H GLY A 34 3.995 2.643 10.173 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.101 1.173 12.702 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.246 2.901 12.451 1.00 0.00 H new ATOM 511 N THR A 35 1.377 1.701 11.612 1.00 0.00 N ATOM 512 CA THR A 35 -0.036 1.780 11.812 1.00 0.00 C ATOM 513 C THR A 35 -0.481 1.056 13.090 1.00 0.00 C ATOM 514 O THR A 35 0.025 -0.013 13.437 1.00 0.00 O ATOM 515 CB THR A 35 -0.787 1.240 10.575 1.00 0.00 C ATOM 516 OG1 THR A 35 -1.161 2.325 9.715 1.00 0.00 O ATOM 517 CG2 THR A 35 -1.996 0.402 10.951 1.00 0.00 C ATOM 0 H THR A 35 1.650 1.240 10.744 1.00 0.00 H new ATOM 0 HA THR A 35 -0.291 2.832 11.942 1.00 0.00 H new ATOM 0 HB THR A 35 -0.106 0.579 10.039 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.137 2.352 9.628 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.488 0.047 10.046 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.676 -0.451 11.549 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.693 1.008 11.529 1.00 0.00 H new ATOM 525 N SER A 36 -1.412 1.675 13.787 1.00 0.00 N ATOM 526 CA SER A 36 -1.969 1.125 14.996 1.00 0.00 C ATOM 527 C SER A 36 -3.202 0.296 14.655 1.00 0.00 C ATOM 528 O SER A 36 -3.812 0.500 13.604 1.00 0.00 O ATOM 529 CB SER A 36 -2.325 2.255 15.948 1.00 0.00 C ATOM 530 OG SER A 36 -1.177 3.030 16.248 1.00 0.00 O ATOM 0 H SER A 36 -1.803 2.580 13.525 1.00 0.00 H new ATOM 0 HA SER A 36 -1.239 0.478 15.482 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.092 2.888 15.501 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.745 1.846 16.867 1.00 0.00 H new ATOM 0 HG SER A 36 -1.422 3.755 16.861 1.00 0.00 H new ATOM 536 N MET A 37 -3.578 -0.624 15.546 1.00 0.00 N ATOM 537 CA MET A 37 -4.708 -1.533 15.294 1.00 0.00 C ATOM 538 C MET A 37 -5.986 -0.784 14.885 1.00 0.00 C ATOM 539 O MET A 37 -6.757 -1.272 14.069 1.00 0.00 O ATOM 540 CB MET A 37 -5.004 -2.392 16.530 1.00 0.00 C ATOM 541 CG MET A 37 -5.603 -1.622 17.700 1.00 0.00 C ATOM 542 SD MET A 37 -6.041 -2.680 19.090 1.00 0.00 S ATOM 543 CE MET A 37 -6.747 -1.482 20.218 1.00 0.00 C ATOM 0 H MET A 37 -3.121 -0.762 16.447 1.00 0.00 H new ATOM 0 HA MET A 37 -4.407 -2.171 14.463 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.689 -3.191 16.247 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.079 -2.867 16.858 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.890 -0.869 18.035 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.492 -1.091 17.361 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.533 -1.779 21.245 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.312 -0.501 20.026 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.826 -1.436 20.071 1.00 0.00 H new ATOM 553 N ALA A 38 -6.176 0.410 15.425 1.00 0.00 N ATOM 554 CA ALA A 38 -7.376 1.194 15.164 1.00 0.00 C ATOM 555 C ALA A 38 -7.523 1.538 13.694 1.00 0.00 C ATOM 556 O ALA A 38 -8.627 1.551 13.171 1.00 0.00 O ATOM 557 CB ALA A 38 -7.396 2.451 16.000 1.00 0.00 C ATOM 0 H ALA A 38 -5.509 0.861 16.052 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.226 0.573 15.446 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.303 3.017 15.785 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.376 2.185 17.057 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.524 3.060 15.763 1.00 0.00 H new ATOM 563 N LYS A 39 -6.402 1.790 13.031 1.00 0.00 N ATOM 564 CA LYS A 39 -6.414 2.218 11.634 1.00 0.00 C ATOM 565 C LYS A 39 -7.100 1.173 10.755 1.00 0.00 C ATOM 566 O LYS A 39 -7.861 1.507 9.869 1.00 0.00 O ATOM 567 CB LYS A 39 -4.978 2.403 11.141 1.00 0.00 C ATOM 568 CG LYS A 39 -4.189 3.520 11.828 1.00 0.00 C ATOM 569 CD LYS A 39 -4.724 4.903 11.484 1.00 0.00 C ATOM 570 CE LYS A 39 -3.855 5.995 12.103 1.00 0.00 C ATOM 571 NZ LYS A 39 -4.329 7.358 11.752 1.00 0.00 N ATOM 0 H LYS A 39 -5.470 1.706 13.437 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.961 3.158 11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.441 1.464 11.277 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.002 2.604 10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.227 3.377 12.908 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.141 3.455 11.534 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.753 5.027 10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.748 5.001 11.844 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.851 5.882 13.187 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.826 5.872 11.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.709 8.066 12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.309 7.477 10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.302 7.487 12.096 1.00 0.00 H new ATOM 585 N LEU A 40 -6.822 -0.087 11.016 1.00 0.00 N ATOM 586 CA LEU A 40 -7.408 -1.170 10.240 1.00 0.00 C ATOM 587 C LEU A 40 -8.736 -1.622 10.811 1.00 0.00 C ATOM 588 O LEU A 40 -9.695 -1.837 10.076 1.00 0.00 O ATOM 589 CB LEU A 40 -6.454 -2.369 10.102 1.00 0.00 C ATOM 590 CG LEU A 40 -5.751 -2.852 11.381 1.00 0.00 C ATOM 591 CD1 LEU A 40 -5.443 -4.335 11.277 1.00 0.00 C ATOM 592 CD2 LEU A 40 -4.462 -2.083 11.586 1.00 0.00 C ATOM 0 H LEU A 40 -6.194 -0.391 11.760 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.585 -0.765 9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.018 -3.205 9.689 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.688 -2.110 9.371 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.413 -2.680 12.230 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.945 -4.668 12.188 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.371 -4.891 11.147 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.791 -4.512 10.422 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.971 -2.432 12.494 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.803 -2.243 10.733 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.683 -1.020 11.679 1.00 0.00 H new ATOM 604 N LYS A 41 -8.783 -1.767 12.124 1.00 0.00 N ATOM 605 CA LYS A 41 -9.966 -2.266 12.801 1.00 0.00 C ATOM 606 C LYS A 41 -11.137 -1.362 12.609 1.00 0.00 C ATOM 607 O LYS A 41 -12.216 -1.820 12.299 1.00 0.00 O ATOM 608 CB LYS A 41 -9.673 -2.437 14.271 1.00 0.00 C ATOM 609 CG LYS A 41 -8.718 -3.564 14.548 1.00 0.00 C ATOM 610 CD LYS A 41 -8.234 -3.554 15.970 1.00 0.00 C ATOM 611 CE LYS A 41 -9.353 -3.851 16.955 1.00 0.00 C ATOM 612 NZ LYS A 41 -8.850 -4.005 18.341 1.00 0.00 N ATOM 0 H LYS A 41 -8.007 -1.544 12.747 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.225 -3.230 12.364 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.257 -1.509 14.664 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.606 -2.619 14.804 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.208 -4.515 14.339 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.865 -3.490 13.874 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.441 -4.293 16.088 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.799 -2.581 16.198 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.086 -3.045 16.923 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.868 -4.763 16.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.519 -3.565 19.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.755 -5.016 18.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.923 -3.542 18.427 1.00 0.00 H new ATOM 626 N LYS A 42 -10.919 -0.076 12.763 1.00 0.00 N ATOM 627 CA LYS A 42 -11.980 0.888 12.519 1.00 0.00 C ATOM 628 C LYS A 42 -12.422 0.792 11.080 1.00 0.00 C ATOM 629 O LYS A 42 -13.607 0.784 10.779 1.00 0.00 O ATOM 630 CB LYS A 42 -11.513 2.315 12.800 1.00 0.00 C ATOM 631 CG LYS A 42 -12.599 3.363 12.577 1.00 0.00 C ATOM 632 CD LYS A 42 -12.048 4.775 12.670 1.00 0.00 C ATOM 633 CE LYS A 42 -11.528 5.092 14.059 1.00 0.00 C ATOM 634 NZ LYS A 42 -11.022 6.484 14.158 1.00 0.00 N ATOM 0 H LYS A 42 -10.029 0.329 13.053 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.807 0.657 13.190 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.163 2.379 13.830 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.661 2.543 12.160 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.052 3.214 11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.388 3.231 13.317 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.244 4.899 11.945 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.829 5.487 12.404 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.325 4.943 14.787 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.729 4.396 14.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.676 6.660 15.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.244 6.620 13.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.791 7.149 13.939 1.00 0.00 H new ATOM 648 N SER A 43 -11.447 0.694 10.203 1.00 0.00 N ATOM 649 CA SER A 43 -11.695 0.660 8.779 1.00 0.00 C ATOM 650 C SER A 43 -12.520 -0.569 8.359 1.00 0.00 C ATOM 651 O SER A 43 -13.526 -0.443 7.644 1.00 0.00 O ATOM 652 CB SER A 43 -10.353 0.706 8.039 1.00 0.00 C ATOM 653 OG SER A 43 -9.736 1.971 8.205 1.00 0.00 O ATOM 0 H SER A 43 -10.461 0.636 10.457 1.00 0.00 H new ATOM 0 HA SER A 43 -12.292 1.532 8.511 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.696 -0.078 8.417 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.509 0.508 6.979 1.00 0.00 H new ATOM 0 HG SER A 43 -8.844 1.852 8.594 1.00 0.00 H new ATOM 659 N TYR A 44 -12.106 -1.736 8.815 1.00 0.00 N ATOM 660 CA TYR A 44 -12.802 -2.976 8.502 1.00 0.00 C ATOM 661 C TYR A 44 -14.127 -3.072 9.224 1.00 0.00 C ATOM 662 O TYR A 44 -15.144 -3.413 8.627 1.00 0.00 O ATOM 663 CB TYR A 44 -11.939 -4.157 8.871 1.00 0.00 C ATOM 664 CG TYR A 44 -12.497 -5.491 8.438 1.00 0.00 C ATOM 665 CD1 TYR A 44 -12.116 -6.066 7.234 1.00 0.00 C ATOM 666 CD2 TYR A 44 -13.411 -6.170 9.229 1.00 0.00 C ATOM 667 CE1 TYR A 44 -12.632 -7.281 6.829 1.00 0.00 C ATOM 668 CE2 TYR A 44 -13.931 -7.381 8.837 1.00 0.00 C ATOM 669 CZ TYR A 44 -13.541 -7.936 7.637 1.00 0.00 C ATOM 670 OH TYR A 44 -14.067 -9.141 7.241 1.00 0.00 O ATOM 0 H TYR A 44 -11.285 -1.854 9.408 1.00 0.00 H new ATOM 0 HA TYR A 44 -13.001 -2.982 7.430 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.953 -4.026 8.424 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -11.800 -4.168 9.952 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.404 -5.555 6.603 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -13.720 -5.740 10.170 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.327 -7.716 5.888 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.642 -7.895 9.467 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.689 -9.467 7.924 1.00 0.00 H new ATOM 680 N ALA A 45 -14.112 -2.755 10.507 1.00 0.00 N ATOM 681 CA ALA A 45 -15.315 -2.833 11.323 1.00 0.00 C ATOM 682 C ALA A 45 -16.382 -1.938 10.748 1.00 0.00 C ATOM 683 O ALA A 45 -17.573 -2.240 10.813 1.00 0.00 O ATOM 684 CB ALA A 45 -15.022 -2.454 12.764 1.00 0.00 C ATOM 0 H ALA A 45 -13.281 -2.441 11.008 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.672 -3.863 11.315 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -15.938 -2.521 13.351 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.277 -3.135 13.175 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.641 -1.434 12.801 1.00 0.00 H new ATOM 690 N ASP A 46 -15.943 -0.844 10.175 1.00 0.00 N ATOM 691 CA ASP A 46 -16.842 0.130 9.582 1.00 0.00 C ATOM 692 C ASP A 46 -17.618 -0.467 8.418 1.00 0.00 C ATOM 693 O ASP A 46 -18.832 -0.312 8.334 1.00 0.00 O ATOM 694 CB ASP A 46 -16.061 1.348 9.107 1.00 0.00 C ATOM 695 CG ASP A 46 -16.943 2.407 8.488 1.00 0.00 C ATOM 696 OD1 ASP A 46 -17.588 3.167 9.240 1.00 0.00 O ATOM 697 OD2 ASP A 46 -16.992 2.492 7.243 1.00 0.00 O ATOM 0 H ASP A 46 -14.955 -0.599 10.104 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.555 0.432 10.349 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.522 1.779 9.950 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.314 1.033 8.378 1.00 0.00 H new ATOM 702 N ARG A 47 -16.913 -1.172 7.534 1.00 0.00 N ATOM 703 CA ARG A 47 -17.541 -1.740 6.345 1.00 0.00 C ATOM 704 C ARG A 47 -18.464 -2.904 6.698 1.00 0.00 C ATOM 705 O ARG A 47 -19.398 -3.212 5.965 1.00 0.00 O ATOM 706 CB ARG A 47 -16.493 -2.189 5.307 1.00 0.00 C ATOM 707 CG ARG A 47 -15.716 -3.445 5.674 1.00 0.00 C ATOM 708 CD ARG A 47 -14.980 -4.007 4.465 1.00 0.00 C ATOM 709 NE ARG A 47 -14.039 -3.048 3.875 1.00 0.00 N ATOM 710 CZ ARG A 47 -13.519 -3.172 2.648 1.00 0.00 C ATOM 711 NH1 ARG A 47 -13.842 -4.209 1.886 1.00 0.00 N ATOM 712 NH2 ARG A 47 -12.680 -2.254 2.186 1.00 0.00 N ATOM 0 H ARG A 47 -15.914 -1.362 7.619 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.144 -0.948 5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -16.997 -2.358 4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.785 -1.375 5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -15.001 -3.216 6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -16.399 -4.197 6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.438 -4.905 4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.707 -4.307 3.710 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.765 -2.239 4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.489 -4.916 2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.443 -4.299 0.952 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.431 -1.453 2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.284 -2.349 1.251 1.00 0.00 H new ATOM 726 N THR A 48 -18.202 -3.542 7.821 1.00 0.00 N ATOM 727 CA THR A 48 -18.995 -4.684 8.234 1.00 0.00 C ATOM 728 C THR A 48 -20.088 -4.286 9.243 1.00 0.00 C ATOM 729 O THR A 48 -20.923 -5.113 9.627 1.00 0.00 O ATOM 730 CB THR A 48 -18.097 -5.822 8.798 1.00 0.00 C ATOM 731 OG1 THR A 48 -18.884 -6.955 9.186 1.00 0.00 O ATOM 732 CG2 THR A 48 -17.269 -5.346 9.975 1.00 0.00 C ATOM 0 H THR A 48 -17.449 -3.291 8.462 1.00 0.00 H new ATOM 0 HA THR A 48 -19.497 -5.065 7.345 1.00 0.00 H new ATOM 0 HB THR A 48 -17.419 -6.120 7.998 1.00 0.00 H new ATOM 0 HG1 THR A 48 -19.811 -6.674 9.335 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.654 -6.167 10.343 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.626 -4.525 9.659 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.931 -5.003 10.771 1.00 0.00 H new ATOM 740 N GLY A 49 -20.080 -3.023 9.664 1.00 0.00 N ATOM 741 CA GLY A 49 -21.089 -2.542 10.599 1.00 0.00 C ATOM 742 C GLY A 49 -20.937 -3.156 11.975 1.00 0.00 C ATOM 743 O GLY A 49 -21.917 -3.347 12.696 1.00 0.00 O ATOM 0 H GLY A 49 -19.395 -2.324 9.376 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.020 -1.457 10.678 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -22.081 -2.771 10.209 1.00 0.00 H new ATOM 747 N VAL A 50 -19.711 -3.470 12.329 1.00 0.00 N ATOM 748 CA VAL A 50 -19.400 -4.096 13.600 1.00 0.00 C ATOM 749 C VAL A 50 -18.607 -3.146 14.477 1.00 0.00 C ATOM 750 O VAL A 50 -17.858 -2.308 13.972 1.00 0.00 O ATOM 751 CB VAL A 50 -18.601 -5.419 13.411 1.00 0.00 C ATOM 752 CG1 VAL A 50 -18.140 -5.980 14.752 1.00 0.00 C ATOM 753 CG2 VAL A 50 -19.448 -6.447 12.675 1.00 0.00 C ATOM 0 H VAL A 50 -18.895 -3.298 11.742 1.00 0.00 H new ATOM 0 HA VAL A 50 -20.347 -4.336 14.083 1.00 0.00 H new ATOM 0 HB VAL A 50 -17.716 -5.196 12.815 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -17.585 -6.904 14.589 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.497 -5.253 15.249 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -19.008 -6.185 15.379 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -18.877 -7.367 12.550 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -20.350 -6.655 13.251 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -19.725 -6.056 11.696 1.00 0.00 H new ATOM 763 N ALA A 51 -18.823 -3.243 15.781 1.00 0.00 N ATOM 764 CA ALA A 51 -18.097 -2.447 16.747 1.00 0.00 C ATOM 765 C ALA A 51 -16.596 -2.630 16.550 1.00 0.00 C ATOM 766 O ALA A 51 -16.103 -3.761 16.435 1.00 0.00 O ATOM 767 CB ALA A 51 -18.498 -2.869 18.150 1.00 0.00 C ATOM 0 H ALA A 51 -19.507 -3.877 16.194 1.00 0.00 H new ATOM 0 HA ALA A 51 -18.340 -1.394 16.606 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -17.952 -2.271 18.880 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -19.569 -2.717 18.284 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.261 -3.923 18.295 1.00 0.00 H new ATOM 773 N VAL A 52 -15.881 -1.522 16.535 1.00 0.00 N ATOM 774 CA VAL A 52 -14.448 -1.518 16.286 1.00 0.00 C ATOM 775 C VAL A 52 -13.708 -2.309 17.352 1.00 0.00 C ATOM 776 O VAL A 52 -12.809 -3.095 17.048 1.00 0.00 O ATOM 777 CB VAL A 52 -13.899 -0.070 16.242 1.00 0.00 C ATOM 778 CG1 VAL A 52 -12.378 -0.054 16.150 1.00 0.00 C ATOM 779 CG2 VAL A 52 -14.523 0.697 15.087 1.00 0.00 C ATOM 0 H VAL A 52 -16.276 -0.595 16.695 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.283 -1.990 15.317 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.174 0.424 17.174 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.026 0.977 16.121 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.956 -0.557 17.020 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.063 -0.571 15.243 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -14.128 1.713 15.069 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.284 0.198 14.148 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.605 0.731 15.215 1.00 0.00 H new ATOM 789 N ASN A 53 -14.105 -2.118 18.595 1.00 0.00 N ATOM 790 CA ASN A 53 -13.443 -2.781 19.708 1.00 0.00 C ATOM 791 C ASN A 53 -13.797 -4.263 19.772 1.00 0.00 C ATOM 792 O ASN A 53 -13.116 -5.037 20.431 1.00 0.00 O ATOM 793 CB ASN A 53 -13.782 -2.095 21.040 1.00 0.00 C ATOM 794 CG ASN A 53 -15.239 -2.255 21.464 1.00 0.00 C ATOM 795 OD1 ASN A 53 -16.139 -2.412 20.633 1.00 0.00 O ATOM 796 ND2 ASN A 53 -15.478 -2.206 22.765 1.00 0.00 N ATOM 0 H ASN A 53 -14.880 -1.511 18.862 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.370 -2.699 19.538 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.140 -2.502 21.821 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.552 -1.033 20.959 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.433 -2.299 23.112 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.708 -2.075 23.420 1.00 0.00 H new ATOM 803 N SER A 54 -14.860 -4.656 19.086 1.00 0.00 N ATOM 804 CA SER A 54 -15.268 -6.049 19.079 1.00 0.00 C ATOM 805 C SER A 54 -14.680 -6.796 17.887 1.00 0.00 C ATOM 806 O SER A 54 -14.829 -8.009 17.772 1.00 0.00 O ATOM 807 CB SER A 54 -16.779 -6.178 19.084 1.00 0.00 C ATOM 808 OG SER A 54 -17.355 -5.692 17.886 1.00 0.00 O ATOM 0 H SER A 54 -15.450 -4.035 18.532 1.00 0.00 H new ATOM 0 HA SER A 54 -14.879 -6.502 19.991 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.053 -7.224 19.220 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.187 -5.628 19.932 1.00 0.00 H new ATOM 0 HG SER A 54 -16.707 -5.126 17.417 1.00 0.00 H new ATOM 814 N LEU A 55 -14.018 -6.065 17.012 1.00 0.00 N ATOM 815 CA LEU A 55 -13.384 -6.651 15.847 1.00 0.00 C ATOM 816 C LEU A 55 -11.936 -6.922 16.216 1.00 0.00 C ATOM 817 O LEU A 55 -11.290 -6.078 16.826 1.00 0.00 O ATOM 818 CB LEU A 55 -13.451 -5.661 14.661 1.00 0.00 C ATOM 819 CG LEU A 55 -13.618 -6.260 13.245 1.00 0.00 C ATOM 820 CD1 LEU A 55 -12.617 -7.371 12.978 1.00 0.00 C ATOM 821 CD2 LEU A 55 -15.034 -6.757 13.036 1.00 0.00 C ATOM 0 H LEU A 55 -13.905 -5.054 17.087 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.887 -7.571 15.550 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.282 -4.978 14.838 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.540 -5.063 14.669 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.419 -5.462 12.530 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.769 -7.764 11.973 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.604 -6.977 13.064 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.758 -8.171 13.705 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.129 -7.174 12.033 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.262 -7.527 13.773 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.732 -5.927 13.151 1.00 0.00 H new ATOM 833 N ARG A 56 -11.425 -8.085 15.872 1.00 0.00 N ATOM 834 CA ARG A 56 -10.081 -8.432 16.276 1.00 0.00 C ATOM 835 C ARG A 56 -9.258 -8.933 15.116 1.00 0.00 C ATOM 836 O ARG A 56 -9.658 -9.851 14.393 1.00 0.00 O ATOM 837 CB ARG A 56 -10.070 -9.464 17.436 1.00 0.00 C ATOM 838 CG ARG A 56 -10.954 -10.702 17.231 1.00 0.00 C ATOM 839 CD ARG A 56 -12.429 -10.392 17.469 1.00 0.00 C ATOM 840 NE ARG A 56 -12.683 -9.924 18.833 1.00 0.00 N ATOM 841 CZ ARG A 56 -13.057 -10.706 19.851 1.00 0.00 C ATOM 842 NH1 ARG A 56 -13.247 -12.004 19.671 1.00 0.00 N ATOM 843 NH2 ARG A 56 -13.245 -10.178 21.049 1.00 0.00 N ATOM 0 H ARG A 56 -11.910 -8.795 15.323 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.623 -7.513 16.642 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.044 -9.795 17.594 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.387 -8.961 18.349 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.821 -11.079 16.217 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.635 -11.493 17.910 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.758 -9.633 16.759 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.022 -11.286 17.277 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.566 -8.928 19.020 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.108 -12.417 18.749 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.532 -12.591 20.455 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.105 -9.178 21.193 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.530 -10.771 21.829 1.00 0.00 H new ATOM 857 N PHE A 57 -8.115 -8.312 14.941 1.00 0.00 N ATOM 858 CA PHE A 57 -7.170 -8.692 13.917 1.00 0.00 C ATOM 859 C PHE A 57 -5.952 -9.304 14.562 1.00 0.00 C ATOM 860 O PHE A 57 -5.412 -8.764 15.536 1.00 0.00 O ATOM 861 CB PHE A 57 -6.756 -7.478 13.103 1.00 0.00 C ATOM 862 CG PHE A 57 -7.823 -6.956 12.197 1.00 0.00 C ATOM 863 CD1 PHE A 57 -8.909 -6.287 12.703 1.00 0.00 C ATOM 864 CD2 PHE A 57 -7.714 -7.105 10.837 1.00 0.00 C ATOM 865 CE1 PHE A 57 -9.874 -5.779 11.867 1.00 0.00 C ATOM 866 CE2 PHE A 57 -8.673 -6.604 9.994 1.00 0.00 C ATOM 867 CZ PHE A 57 -9.753 -5.941 10.510 1.00 0.00 C ATOM 0 H PHE A 57 -7.812 -7.522 15.510 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.641 -9.417 13.253 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.453 -6.683 13.785 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.882 -7.736 12.505 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.006 -6.158 13.771 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.861 -7.624 10.425 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.724 -5.254 12.277 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.576 -6.732 8.926 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.510 -5.545 9.849 1.00 0.00 H new ATOM 877 N LEU A 58 -5.523 -10.415 14.040 1.00 0.00 N ATOM 878 CA LEU A 58 -4.382 -11.107 14.574 1.00 0.00 C ATOM 879 C LEU A 58 -3.319 -11.288 13.526 1.00 0.00 C ATOM 880 O LEU A 58 -3.612 -11.439 12.347 1.00 0.00 O ATOM 881 CB LEU A 58 -4.775 -12.470 15.158 1.00 0.00 C ATOM 882 CG LEU A 58 -5.289 -12.461 16.600 1.00 0.00 C ATOM 883 CD1 LEU A 58 -6.654 -11.813 16.710 1.00 0.00 C ATOM 884 CD2 LEU A 58 -5.312 -13.855 17.166 1.00 0.00 C ATOM 0 H LEU A 58 -5.952 -10.868 13.233 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.981 -10.490 15.378 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.545 -12.907 14.522 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.908 -13.128 15.107 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.596 -11.859 17.188 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.981 -11.828 17.750 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.596 -10.782 16.362 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.368 -12.363 16.097 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.680 -13.825 18.191 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.968 -14.482 16.563 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.304 -14.269 17.155 1.00 0.00 H new ATOM 896 N PHE A 59 -2.093 -11.240 13.953 1.00 0.00 N ATOM 897 CA PHE A 59 -0.987 -11.481 13.086 1.00 0.00 C ATOM 898 C PHE A 59 -0.224 -12.680 13.587 1.00 0.00 C ATOM 899 O PHE A 59 0.285 -12.668 14.700 1.00 0.00 O ATOM 900 CB PHE A 59 -0.063 -10.265 13.013 1.00 0.00 C ATOM 901 CG PHE A 59 1.115 -10.503 12.117 1.00 0.00 C ATOM 902 CD1 PHE A 59 0.943 -10.631 10.752 1.00 0.00 C ATOM 903 CD2 PHE A 59 2.390 -10.611 12.640 1.00 0.00 C ATOM 904 CE1 PHE A 59 2.021 -10.865 9.922 1.00 0.00 C ATOM 905 CE2 PHE A 59 3.474 -10.844 11.816 1.00 0.00 C ATOM 906 CZ PHE A 59 3.288 -10.973 10.455 1.00 0.00 C ATOM 0 H PHE A 59 -1.834 -11.031 14.917 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.364 -11.671 12.081 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.625 -9.405 12.650 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.288 -10.017 14.015 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.047 -10.547 10.329 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.540 -10.512 13.705 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.872 -10.963 8.857 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.465 -10.925 12.236 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.133 -11.158 9.808 1.00 0.00 H new ATOM 916 N ASP A 60 -0.175 -13.718 12.777 1.00 0.00 N ATOM 917 CA ASP A 60 0.537 -14.958 13.118 1.00 0.00 C ATOM 918 C ASP A 60 -0.008 -15.574 14.422 1.00 0.00 C ATOM 919 O ASP A 60 0.690 -16.289 15.142 1.00 0.00 O ATOM 920 CB ASP A 60 2.042 -14.681 13.225 1.00 0.00 C ATOM 921 CG ASP A 60 2.874 -15.943 13.297 1.00 0.00 C ATOM 922 OD1 ASP A 60 2.792 -16.772 12.367 1.00 0.00 O ATOM 923 OD2 ASP A 60 3.625 -16.109 14.281 1.00 0.00 O ATOM 0 H ASP A 60 -0.624 -13.737 11.861 1.00 0.00 H new ATOM 0 HA ASP A 60 0.370 -15.685 12.323 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.359 -14.092 12.364 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.232 -14.077 14.112 1.00 0.00 H new ATOM 928 N GLY A 61 -1.270 -15.312 14.685 1.00 0.00 N ATOM 929 CA GLY A 61 -1.939 -15.871 15.846 1.00 0.00 C ATOM 930 C GLY A 61 -1.884 -14.980 17.068 1.00 0.00 C ATOM 931 O GLY A 61 -2.336 -15.370 18.144 1.00 0.00 O ATOM 0 H GLY A 61 -1.859 -14.712 14.108 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.982 -16.064 15.595 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.486 -16.832 16.088 1.00 0.00 H new ATOM 935 N ARG A 62 -1.346 -13.786 16.919 1.00 0.00 N ATOM 936 CA ARG A 62 -1.299 -12.854 18.025 1.00 0.00 C ATOM 937 C ARG A 62 -2.002 -11.575 17.648 1.00 0.00 C ATOM 938 O ARG A 62 -1.818 -11.044 16.558 1.00 0.00 O ATOM 939 CB ARG A 62 0.157 -12.623 18.481 1.00 0.00 C ATOM 940 CG ARG A 62 1.091 -12.025 17.433 1.00 0.00 C ATOM 941 CD ARG A 62 1.033 -10.504 17.405 1.00 0.00 C ATOM 942 NE ARG A 62 1.769 -9.896 18.517 1.00 0.00 N ATOM 943 CZ ARG A 62 1.664 -8.615 18.869 1.00 0.00 C ATOM 944 NH1 ARG A 62 0.789 -7.836 18.261 1.00 0.00 N ATOM 945 NH2 ARG A 62 2.424 -8.121 19.838 1.00 0.00 N ATOM 0 H ARG A 62 -0.939 -13.441 16.050 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.828 -13.275 18.880 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.146 -11.965 19.350 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.571 -13.576 18.809 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.113 -12.343 17.637 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.826 -12.414 16.450 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.444 -10.145 16.461 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.008 -10.182 17.443 1.00 0.00 H new ATOM 0 HE ARG A 62 2.400 -10.490 19.055 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.195 -8.215 17.523 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.707 -6.855 18.529 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.093 -8.723 20.318 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.339 -7.140 20.103 1.00 0.00 H new ATOM 959 N ARG A 63 -2.813 -11.106 18.544 1.00 0.00 N ATOM 960 CA ARG A 63 -3.640 -9.944 18.315 1.00 0.00 C ATOM 961 C ARG A 63 -2.834 -8.682 18.152 1.00 0.00 C ATOM 962 O ARG A 63 -1.843 -8.464 18.840 1.00 0.00 O ATOM 963 CB ARG A 63 -4.662 -9.832 19.429 1.00 0.00 C ATOM 964 CG ARG A 63 -4.056 -9.704 20.808 1.00 0.00 C ATOM 965 CD ARG A 63 -5.061 -10.098 21.853 1.00 0.00 C ATOM 966 NE ARG A 63 -4.551 -9.946 23.212 1.00 0.00 N ATOM 967 CZ ARG A 63 -5.186 -10.389 24.299 1.00 0.00 C ATOM 968 NH1 ARG A 63 -6.371 -10.985 24.184 1.00 0.00 N ATOM 969 NH2 ARG A 63 -4.643 -10.233 25.499 1.00 0.00 N ATOM 0 H ARG A 63 -2.927 -11.519 19.470 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.163 -10.073 17.367 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.297 -8.966 19.240 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.307 -10.711 19.407 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.172 -10.337 20.885 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.729 -8.678 20.976 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.958 -9.490 21.736 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.356 -11.135 21.694 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.656 -9.473 23.338 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.795 -11.104 23.264 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.855 -11.323 25.016 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.737 -9.773 25.593 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.131 -10.573 26.328 1.00 0.00 H new ATOM 983 N ILE A 64 -3.269 -7.871 17.222 1.00 0.00 N ATOM 984 CA ILE A 64 -2.601 -6.624 16.899 1.00 0.00 C ATOM 985 C ILE A 64 -3.153 -5.503 17.758 1.00 0.00 C ATOM 986 O ILE A 64 -4.340 -5.185 17.696 1.00 0.00 O ATOM 987 CB ILE A 64 -2.804 -6.282 15.404 1.00 0.00 C ATOM 988 CG1 ILE A 64 -2.268 -7.425 14.543 1.00 0.00 C ATOM 989 CG2 ILE A 64 -2.105 -4.969 15.038 1.00 0.00 C ATOM 990 CD1 ILE A 64 -2.616 -7.299 13.085 1.00 0.00 C ATOM 0 H ILE A 64 -4.101 -8.053 16.661 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.535 -6.737 17.097 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.870 -6.155 15.218 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.184 -7.468 14.646 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.662 -8.368 14.921 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.265 -4.754 13.981 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.516 -4.158 15.639 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.036 -5.059 15.232 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.202 -8.146 12.538 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.700 -7.287 12.969 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.199 -6.373 12.690 1.00 0.00 H new ATOM 1002 N ASN A 65 -2.289 -4.922 18.561 1.00 0.00 N ATOM 1003 CA ASN A 65 -2.661 -3.854 19.464 1.00 0.00 C ATOM 1004 C ASN A 65 -2.141 -2.536 18.930 1.00 0.00 C ATOM 1005 O ASN A 65 -1.225 -2.513 18.111 1.00 0.00 O ATOM 1006 CB ASN A 65 -2.053 -4.103 20.847 1.00 0.00 C ATOM 1007 CG ASN A 65 -2.448 -5.439 21.441 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -3.497 -5.573 22.076 1.00 0.00 O ATOM 1009 ND2 ASN A 65 -1.614 -6.439 21.226 1.00 0.00 N ATOM 0 H ASN A 65 -1.303 -5.178 18.606 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.748 -3.821 19.544 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.967 -4.052 20.774 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.364 -3.306 21.522 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.826 -7.368 21.591 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.757 -6.283 20.695 1.00 0.00 H new ATOM 1016 N ASP A 66 -2.717 -1.433 19.383 1.00 0.00 N ATOM 1017 CA ASP A 66 -2.241 -0.111 18.967 1.00 0.00 C ATOM 1018 C ASP A 66 -0.926 0.201 19.658 1.00 0.00 C ATOM 1019 O ASP A 66 -0.209 1.123 19.277 1.00 0.00 O ATOM 1020 CB ASP A 66 -3.263 0.984 19.304 1.00 0.00 C ATOM 1021 CG ASP A 66 -3.506 1.132 20.790 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -4.275 0.328 21.351 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -2.934 2.055 21.402 1.00 0.00 O ATOM 0 H ASP A 66 -3.505 -1.419 20.031 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.101 -0.130 17.886 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.913 1.935 18.903 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.207 0.757 18.808 1.00 0.00 H new ATOM 1028 N ASP A 67 -0.624 -0.578 20.677 1.00 0.00 N ATOM 1029 CA ASP A 67 0.600 -0.413 21.442 1.00 0.00 C ATOM 1030 C ASP A 67 1.772 -1.077 20.735 1.00 0.00 C ATOM 1031 O ASP A 67 2.931 -0.775 21.010 1.00 0.00 O ATOM 1032 CB ASP A 67 0.427 -0.995 22.846 1.00 0.00 C ATOM 1033 CG ASP A 67 1.618 -0.732 23.742 1.00 0.00 C ATOM 1034 OD1 ASP A 67 1.876 0.450 24.063 1.00 0.00 O ATOM 1035 OD2 ASP A 67 2.284 -1.703 24.154 1.00 0.00 O ATOM 0 H ASP A 67 -1.217 -1.342 20.999 1.00 0.00 H new ATOM 0 HA ASP A 67 0.812 0.653 21.526 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.466 -0.569 23.303 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.265 -2.070 22.771 1.00 0.00 H new ATOM 1040 N ASP A 68 1.465 -1.987 19.823 1.00 0.00 N ATOM 1041 CA ASP A 68 2.496 -2.705 19.097 1.00 0.00 C ATOM 1042 C ASP A 68 3.184 -1.823 18.073 1.00 0.00 C ATOM 1043 O ASP A 68 2.570 -0.924 17.486 1.00 0.00 O ATOM 1044 CB ASP A 68 1.938 -3.956 18.429 1.00 0.00 C ATOM 1045 CG ASP A 68 1.446 -4.983 19.421 1.00 0.00 C ATOM 1046 OD1 ASP A 68 2.206 -5.342 20.346 1.00 0.00 O ATOM 1047 OD2 ASP A 68 0.307 -5.460 19.273 1.00 0.00 O ATOM 0 H ASP A 68 0.511 -2.244 19.570 1.00 0.00 H new ATOM 0 HA ASP A 68 3.242 -3.011 19.831 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.118 -3.674 17.769 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.711 -4.403 17.804 1.00 0.00 H new ATOM 1052 N THR A 69 4.453 -2.091 17.865 1.00 0.00 N ATOM 1053 CA THR A 69 5.259 -1.352 16.930 1.00 0.00 C ATOM 1054 C THR A 69 5.339 -2.090 15.587 1.00 0.00 C ATOM 1055 O THR A 69 5.088 -3.297 15.526 1.00 0.00 O ATOM 1056 CB THR A 69 6.669 -1.144 17.512 1.00 0.00 C ATOM 1057 OG1 THR A 69 7.186 -2.397 17.986 1.00 0.00 O ATOM 1058 CG2 THR A 69 6.637 -0.143 18.655 1.00 0.00 C ATOM 0 H THR A 69 4.956 -2.836 18.347 1.00 0.00 H new ATOM 0 HA THR A 69 4.798 -0.380 16.757 1.00 0.00 H new ATOM 0 HB THR A 69 7.314 -0.754 16.725 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.084 -2.262 18.354 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.644 -0.011 19.051 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.262 0.814 18.291 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.982 -0.512 19.444 1.00 0.00 H new ATOM 1066 N PRO A 70 5.703 -1.386 14.494 1.00 0.00 N ATOM 1067 CA PRO A 70 5.777 -1.989 13.149 1.00 0.00 C ATOM 1068 C PRO A 70 6.736 -3.170 13.091 1.00 0.00 C ATOM 1069 O PRO A 70 6.508 -4.133 12.362 1.00 0.00 O ATOM 1070 CB PRO A 70 6.320 -0.842 12.276 1.00 0.00 C ATOM 1071 CG PRO A 70 6.879 0.153 13.233 1.00 0.00 C ATOM 1072 CD PRO A 70 6.043 0.045 14.466 1.00 0.00 C ATOM 0 HA PRO A 70 4.811 -2.380 12.831 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.087 -1.200 11.589 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.529 -0.402 11.669 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.926 -0.059 13.450 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.837 1.160 12.819 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.592 0.349 15.357 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.154 0.673 14.410 1.00 0.00 H new ATOM 1080 N LYS A 71 7.785 -3.099 13.881 1.00 0.00 N ATOM 1081 CA LYS A 71 8.791 -4.138 13.927 1.00 0.00 C ATOM 1082 C LYS A 71 8.262 -5.433 14.550 1.00 0.00 C ATOM 1083 O LYS A 71 8.527 -6.508 14.055 1.00 0.00 O ATOM 1084 CB LYS A 71 9.927 -3.652 14.746 1.00 0.00 C ATOM 1085 CG LYS A 71 9.459 -3.163 16.083 1.00 0.00 C ATOM 1086 CD LYS A 71 10.569 -2.875 16.966 1.00 0.00 C ATOM 1087 CE LYS A 71 11.240 -4.159 17.389 1.00 0.00 C ATOM 1088 NZ LYS A 71 12.350 -3.917 18.340 1.00 0.00 N ATOM 0 H LYS A 71 7.965 -2.317 14.511 1.00 0.00 H new ATOM 0 HA LYS A 71 9.094 -4.359 12.903 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.651 -4.456 14.882 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.440 -2.847 14.220 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.856 -2.264 15.951 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.815 -3.914 16.541 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.287 -2.229 16.461 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.215 -2.334 17.844 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.504 -4.818 17.850 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.623 -4.675 16.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.784 -4.824 18.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.065 -3.309 17.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.981 -3.447 19.192 1.00 0.00 H new ATOM 1102 N THR A 72 7.518 -5.313 15.648 1.00 0.00 N ATOM 1103 CA THR A 72 7.000 -6.478 16.338 1.00 0.00 C ATOM 1104 C THR A 72 5.829 -7.043 15.572 1.00 0.00 C ATOM 1105 O THR A 72 5.555 -8.240 15.618 1.00 0.00 O ATOM 1106 CB THR A 72 6.601 -6.171 17.814 1.00 0.00 C ATOM 1107 OG1 THR A 72 6.345 -7.388 18.524 1.00 0.00 O ATOM 1108 CG2 THR A 72 5.369 -5.290 17.884 1.00 0.00 C ATOM 0 H THR A 72 7.265 -4.421 16.073 1.00 0.00 H new ATOM 0 HA THR A 72 7.798 -7.219 16.382 1.00 0.00 H new ATOM 0 HB THR A 72 7.436 -5.642 18.273 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.097 -7.181 19.449 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.119 -5.096 18.927 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.568 -4.346 17.377 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.533 -5.794 17.398 1.00 0.00 H new ATOM 1116 N LEU A 73 5.139 -6.165 14.864 1.00 0.00 N ATOM 1117 CA LEU A 73 4.055 -6.583 14.012 1.00 0.00 C ATOM 1118 C LEU A 73 4.609 -7.219 12.759 1.00 0.00 C ATOM 1119 O LEU A 73 3.917 -7.962 12.085 1.00 0.00 O ATOM 1120 CB LEU A 73 3.128 -5.425 13.667 1.00 0.00 C ATOM 1121 CG LEU A 73 2.377 -4.811 14.851 1.00 0.00 C ATOM 1122 CD1 LEU A 73 1.583 -3.590 14.413 1.00 0.00 C ATOM 1123 CD2 LEU A 73 1.460 -5.844 15.487 1.00 0.00 C ATOM 0 H LEU A 73 5.315 -5.160 14.867 1.00 0.00 H new ATOM 0 HA LEU A 73 3.459 -7.317 14.554 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.715 -4.643 13.186 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.398 -5.772 12.936 1.00 0.00 H new ATOM 0 HG LEU A 73 3.109 -4.491 15.593 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.058 -3.171 15.271 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.262 -2.843 14.002 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.860 -3.881 13.651 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.932 -5.394 16.328 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.737 -6.192 14.749 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.052 -6.688 15.841 1.00 0.00 H new ATOM 1135 N GLU A 74 5.878 -6.889 12.446 1.00 0.00 N ATOM 1136 CA GLU A 74 6.593 -7.499 11.328 1.00 0.00 C ATOM 1137 C GLU A 74 5.816 -7.423 10.008 1.00 0.00 C ATOM 1138 O GLU A 74 5.923 -8.307 9.166 1.00 0.00 O ATOM 1139 CB GLU A 74 6.883 -8.936 11.697 1.00 0.00 C ATOM 1140 CG GLU A 74 8.089 -9.100 12.580 1.00 0.00 C ATOM 1141 CD GLU A 74 9.386 -8.912 11.835 1.00 0.00 C ATOM 1142 OE1 GLU A 74 9.948 -9.919 11.355 1.00 0.00 O ATOM 1143 OE2 GLU A 74 9.854 -7.768 11.723 1.00 0.00 O ATOM 0 H GLU A 74 6.424 -6.198 12.961 1.00 0.00 H new ATOM 0 HA GLU A 74 7.516 -6.944 11.157 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.013 -9.355 12.203 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.030 -9.514 10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.037 -8.380 13.397 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.073 -10.093 13.029 1.00 0.00 H new ATOM 1150 N MET A 75 5.075 -6.354 9.822 1.00 0.00 N ATOM 1151 CA MET A 75 4.258 -6.191 8.619 1.00 0.00 C ATOM 1152 C MET A 75 5.044 -5.526 7.495 1.00 0.00 C ATOM 1153 O MET A 75 6.017 -4.808 7.739 1.00 0.00 O ATOM 1154 CB MET A 75 3.008 -5.368 8.917 1.00 0.00 C ATOM 1155 CG MET A 75 2.139 -5.946 10.016 1.00 0.00 C ATOM 1156 SD MET A 75 0.595 -5.038 10.238 1.00 0.00 S ATOM 1157 CE MET A 75 1.205 -3.449 10.801 1.00 0.00 C ATOM 0 H MET A 75 5.015 -5.579 10.483 1.00 0.00 H new ATOM 0 HA MET A 75 3.964 -7.189 8.296 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.308 -4.358 9.198 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.416 -5.283 8.006 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.913 -6.987 9.784 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.696 -5.942 10.953 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.380 -2.868 11.214 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.962 -3.602 11.570 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.644 -2.910 9.962 1.00 0.00 H new ATOM 1167 N GLU A 76 4.618 -5.775 6.267 1.00 0.00 N ATOM 1168 CA GLU A 76 5.222 -5.183 5.096 1.00 0.00 C ATOM 1169 C GLU A 76 4.183 -5.106 3.995 1.00 0.00 C ATOM 1170 O GLU A 76 3.016 -5.427 4.229 1.00 0.00 O ATOM 1171 CB GLU A 76 6.463 -5.957 4.636 1.00 0.00 C ATOM 1172 CG GLU A 76 6.208 -7.394 4.232 1.00 0.00 C ATOM 1173 CD GLU A 76 7.463 -8.062 3.731 1.00 0.00 C ATOM 1174 OE1 GLU A 76 7.952 -7.677 2.651 1.00 0.00 O ATOM 1175 OE2 GLU A 76 7.983 -8.964 4.414 1.00 0.00 O ATOM 0 H GLU A 76 3.838 -6.398 6.059 1.00 0.00 H new ATOM 0 HA GLU A 76 5.564 -4.179 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.908 -5.431 3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.198 -5.947 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.816 -7.948 5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.444 -7.424 3.455 1.00 0.00 H new ATOM 1182 N ASP A 77 4.584 -4.679 2.813 1.00 0.00 N ATOM 1183 CA ASP A 77 3.640 -4.512 1.723 1.00 0.00 C ATOM 1184 C ASP A 77 3.004 -5.840 1.293 1.00 0.00 C ATOM 1185 O ASP A 77 3.688 -6.824 1.007 1.00 0.00 O ATOM 1186 CB ASP A 77 4.278 -3.787 0.526 1.00 0.00 C ATOM 1187 CG ASP A 77 5.186 -4.669 -0.302 1.00 0.00 C ATOM 1188 OD1 ASP A 77 6.291 -4.997 0.167 1.00 0.00 O ATOM 1189 OD2 ASP A 77 4.801 -5.024 -1.437 1.00 0.00 O ATOM 0 H ASP A 77 5.549 -4.443 2.583 1.00 0.00 H new ATOM 0 HA ASP A 77 2.836 -3.882 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.488 -3.392 -0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.849 -2.933 0.891 1.00 0.00 H new ATOM 1194 N ASP A 78 1.682 -5.833 1.308 1.00 0.00 N ATOM 1195 CA ASP A 78 0.823 -6.953 0.902 1.00 0.00 C ATOM 1196 C ASP A 78 1.017 -8.153 1.825 1.00 0.00 C ATOM 1197 O ASP A 78 0.903 -9.300 1.405 1.00 0.00 O ATOM 1198 CB ASP A 78 1.068 -7.340 -0.571 1.00 0.00 C ATOM 1199 CG ASP A 78 -0.005 -8.260 -1.155 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -1.168 -7.821 -1.291 1.00 0.00 O ATOM 1201 OD2 ASP A 78 0.322 -9.413 -1.517 1.00 0.00 O ATOM 0 H ASP A 78 1.148 -5.019 1.614 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.213 -6.626 0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.120 -6.432 -1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.038 -7.832 -0.651 1.00 0.00 H new ATOM 1206 N ASP A 79 1.288 -7.886 3.102 1.00 0.00 N ATOM 1207 CA ASP A 79 1.448 -8.969 4.061 1.00 0.00 C ATOM 1208 C ASP A 79 0.084 -9.493 4.458 1.00 0.00 C ATOM 1209 O ASP A 79 -0.939 -8.962 4.031 1.00 0.00 O ATOM 1210 CB ASP A 79 2.233 -8.544 5.299 1.00 0.00 C ATOM 1211 CG ASP A 79 3.080 -9.682 5.852 1.00 0.00 C ATOM 1212 OD1 ASP A 79 4.315 -9.540 5.891 1.00 0.00 O ATOM 1213 OD2 ASP A 79 2.516 -10.737 6.223 1.00 0.00 O ATOM 0 H ASP A 79 1.399 -6.948 3.487 1.00 0.00 H new ATOM 0 HA ASP A 79 2.026 -9.757 3.578 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.877 -7.701 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.541 -8.200 6.067 1.00 0.00 H new ATOM 1218 N VAL A 80 0.060 -10.502 5.271 1.00 0.00 N ATOM 1219 CA VAL A 80 -1.173 -11.148 5.628 1.00 0.00 C ATOM 1220 C VAL A 80 -1.570 -10.859 7.066 1.00 0.00 C ATOM 1221 O VAL A 80 -0.728 -10.734 7.953 1.00 0.00 O ATOM 1222 CB VAL A 80 -1.075 -12.672 5.418 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -0.860 -12.983 3.950 1.00 0.00 C ATOM 1224 CG2 VAL A 80 0.059 -13.249 6.252 1.00 0.00 C ATOM 0 H VAL A 80 0.890 -10.904 5.707 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.943 -10.741 4.973 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.010 -13.131 5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.792 -14.062 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.697 -12.595 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.064 -12.515 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.116 -14.326 6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.001 -12.788 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.126 -13.047 7.307 1.00 0.00 H new ATOM 1234 N ILE A 81 -2.856 -10.746 7.270 1.00 0.00 N ATOM 1235 CA ILE A 81 -3.432 -10.487 8.566 1.00 0.00 C ATOM 1236 C ILE A 81 -4.673 -11.350 8.775 1.00 0.00 C ATOM 1237 O ILE A 81 -5.444 -11.560 7.849 1.00 0.00 O ATOM 1238 CB ILE A 81 -3.739 -8.973 8.744 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -2.583 -8.285 9.486 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -5.075 -8.717 9.413 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -2.816 -6.819 9.774 1.00 0.00 C ATOM 0 H ILE A 81 -3.548 -10.833 6.525 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.707 -10.758 9.334 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.823 -8.535 7.750 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.410 -8.806 10.428 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.674 -8.387 8.893 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.234 -7.643 9.510 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.873 -9.149 8.809 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.080 -9.175 10.402 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.953 -6.410 10.299 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.958 -6.282 8.836 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.705 -6.707 10.394 1.00 0.00 H new ATOM 1253 N GLU A 82 -4.842 -11.855 9.981 1.00 0.00 N ATOM 1254 CA GLU A 82 -5.930 -12.774 10.292 1.00 0.00 C ATOM 1255 C GLU A 82 -7.056 -12.067 11.043 1.00 0.00 C ATOM 1256 O GLU A 82 -6.811 -11.151 11.825 1.00 0.00 O ATOM 1257 CB GLU A 82 -5.392 -13.911 11.151 1.00 0.00 C ATOM 1258 CG GLU A 82 -4.233 -14.659 10.516 1.00 0.00 C ATOM 1259 CD GLU A 82 -3.610 -15.665 11.456 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -2.821 -15.256 12.330 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -3.903 -16.875 11.319 1.00 0.00 O ATOM 0 H GLU A 82 -4.235 -11.644 10.773 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.333 -13.160 9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.071 -13.508 12.112 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.199 -14.615 11.354 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.583 -15.172 9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.474 -13.944 10.198 1.00 0.00 H new ATOM 1268 N VAL A 83 -8.280 -12.487 10.793 1.00 0.00 N ATOM 1269 CA VAL A 83 -9.444 -11.937 11.480 1.00 0.00 C ATOM 1270 C VAL A 83 -10.271 -13.036 12.110 1.00 0.00 C ATOM 1271 O VAL A 83 -10.562 -14.051 11.481 1.00 0.00 O ATOM 1272 CB VAL A 83 -10.344 -11.098 10.548 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -11.593 -10.620 11.276 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -9.588 -9.920 10.028 1.00 0.00 C ATOM 0 H VAL A 83 -8.501 -13.215 10.113 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.053 -11.278 12.255 1.00 0.00 H new ATOM 0 HB VAL A 83 -10.649 -11.732 9.716 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.208 -10.032 10.595 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.162 -11.481 11.627 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.304 -10.004 12.128 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.232 -9.335 9.372 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.262 -9.300 10.863 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.718 -10.264 9.469 1.00 0.00 H new ATOM 1284 N TYR A 84 -10.626 -12.832 13.354 1.00 0.00 N ATOM 1285 CA TYR A 84 -11.436 -13.768 14.085 1.00 0.00 C ATOM 1286 C TYR A 84 -12.829 -13.212 14.294 1.00 0.00 C ATOM 1287 O TYR A 84 -13.066 -12.026 14.048 1.00 0.00 O ATOM 1288 CB TYR A 84 -10.761 -14.151 15.391 1.00 0.00 C ATOM 1289 CG TYR A 84 -9.556 -15.031 15.170 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -8.311 -14.485 14.905 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -9.672 -16.413 15.204 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -7.213 -15.287 14.677 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -8.580 -17.223 14.982 1.00 0.00 C ATOM 1294 CZ TYR A 84 -7.353 -16.657 14.717 1.00 0.00 C ATOM 1295 OH TYR A 84 -6.265 -17.466 14.482 1.00 0.00 O ATOM 0 H TYR A 84 -10.358 -12.006 13.889 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.541 -14.682 13.501 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.458 -13.248 15.920 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.476 -14.670 16.030 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.198 -13.411 14.876 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -10.633 -16.861 15.408 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.250 -14.845 14.469 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.686 -18.297 15.016 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.535 -18.406 14.549 1.00 0.00 H new ATOM 1305 N GLN A 85 -13.746 -14.051 14.747 1.00 0.00 N ATOM 1306 CA GLN A 85 -15.141 -13.652 14.851 1.00 0.00 C ATOM 1307 C GLN A 85 -15.344 -12.596 15.921 1.00 0.00 C ATOM 1308 O GLN A 85 -14.723 -12.627 16.992 1.00 0.00 O ATOM 1309 CB GLN A 85 -16.035 -14.866 15.089 1.00 0.00 C ATOM 1310 CG GLN A 85 -16.115 -15.787 13.882 1.00 0.00 C ATOM 1311 CD GLN A 85 -16.858 -17.073 14.163 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -16.853 -17.579 15.285 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -17.495 -17.614 13.147 1.00 0.00 N ATOM 0 H GLN A 85 -13.552 -15.006 15.047 1.00 0.00 H new ATOM 0 HA GLN A 85 -15.429 -13.203 13.901 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -15.657 -15.427 15.944 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -17.038 -14.527 15.348 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -16.608 -15.261 13.064 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -15.105 -16.024 13.546 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -17.474 -17.162 12.233 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -18.010 -18.485 13.273 1.00 0.00 H new ATOM 1322 N GLU A 86 -16.219 -11.670 15.609 1.00 0.00 N ATOM 1323 CA GLU A 86 -16.455 -10.490 16.408 1.00 0.00 C ATOM 1324 C GLU A 86 -17.757 -10.578 17.213 1.00 0.00 C ATOM 1325 O GLU A 86 -18.592 -11.456 16.978 1.00 0.00 O ATOM 1326 CB GLU A 86 -16.469 -9.253 15.497 1.00 0.00 C ATOM 1327 CG GLU A 86 -17.443 -9.331 14.316 1.00 0.00 C ATOM 1328 CD GLU A 86 -17.048 -10.340 13.248 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -17.569 -11.476 13.280 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -16.223 -10.010 12.385 1.00 0.00 O ATOM 0 H GLU A 86 -16.801 -11.717 14.773 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.645 -10.409 17.132 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -16.720 -8.380 16.099 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.463 -9.094 15.109 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.434 -9.586 14.693 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.521 -8.345 13.858 1.00 0.00 H new ATOM 1337 N GLN A 87 -17.912 -9.655 18.171 1.00 0.00 N ATOM 1338 CA GLN A 87 -19.078 -9.630 19.062 1.00 0.00 C ATOM 1339 C GLN A 87 -20.368 -9.367 18.304 1.00 0.00 C ATOM 1340 O GLN A 87 -21.358 -10.072 18.477 1.00 0.00 O ATOM 1341 CB GLN A 87 -18.890 -8.556 20.132 1.00 0.00 C ATOM 1342 CG GLN A 87 -20.036 -8.447 21.114 1.00 0.00 C ATOM 1343 CD GLN A 87 -19.781 -7.418 22.195 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -19.086 -6.418 21.974 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -20.331 -7.653 23.366 1.00 0.00 N ATOM 0 H GLN A 87 -17.238 -8.910 18.349 1.00 0.00 H new ATOM 0 HA GLN A 87 -19.156 -10.613 19.526 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.973 -8.766 20.683 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -18.754 -7.592 19.642 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -20.947 -8.185 20.576 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -20.207 -9.419 21.576 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.897 -8.490 23.505 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -20.192 -6.998 24.135 1.00 0.00 H new ATOM 1354 N LEU A 88 -20.345 -8.366 17.448 1.00 0.00 N ATOM 1355 CA LEU A 88 -21.529 -7.980 16.711 1.00 0.00 C ATOM 1356 C LEU A 88 -21.635 -8.698 15.376 1.00 0.00 C ATOM 1357 O LEU A 88 -22.600 -8.523 14.639 1.00 0.00 O ATOM 1358 CB LEU A 88 -21.596 -6.460 16.547 1.00 0.00 C ATOM 1359 CG LEU A 88 -21.733 -5.666 17.849 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -21.762 -4.179 17.565 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -22.982 -6.089 18.611 1.00 0.00 C ATOM 0 H LEU A 88 -19.518 -7.805 17.246 1.00 0.00 H new ATOM 0 HA LEU A 88 -22.394 -8.292 17.296 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -20.696 -6.127 16.031 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -22.441 -6.218 15.903 1.00 0.00 H new ATOM 0 HG LEU A 88 -20.865 -5.881 18.472 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -21.860 -3.631 18.502 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -20.837 -3.885 17.068 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -22.610 -3.948 16.920 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -23.059 -5.512 19.532 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -23.863 -5.908 17.995 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -22.919 -7.150 18.852 1.00 0.00 H new