USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 878 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 24 TYR OH : rot 50:sc= 0 USER MOD Set 1.2: A 64 MET CE :methyl 145:sc= -0.213 (180deg=-1.68) USER MOD Set 2.1: A 62 MET CE :methyl 165:sc= -4.27! (180deg=-4.67!) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 88 MET CE :methyl -178:sc= -2.02 (180deg=-1.62) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.172 X(o=-3.3,f=-3) USER MOD Set 3.2: A 71 MET CE :methyl 153:sc= -3.09! (180deg=-4.69!) USER MOD Single : A 16 MET CE :methyl 158:sc= -0.412 (180deg=-1.11) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.00093) USER MOD Single : A 18 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.86 X(o=-1.9,f=-1.9!) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -120:sc= 1.23 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 130:sc= -2.02! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00871) USER MOD Single : A 60 LYS NZ :NH3+ -153:sc= -0.169 (180deg=-0.702) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -2.37 X(o=-2.4,f=-2.1) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 75 LYS NZ :NH3+ -158:sc= -0.522 (180deg=-1.42!) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.139 USER MOD Single : A 77 GLN : amide:sc= -0.0405 K(o=-0.04,f=-1.1) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -173:sc= -0.463 (180deg=-0.573) USER MOD Single : A 89 MET CE :methyl 174:sc= 0 (180deg=-0.0211) USER MOD Single : A 91 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.9!) USER MOD Single : A 92 ASN : amide:sc= -2.25! C(o=-2.2!,f=-3.2!) USER MOD Single : A 94 CYS SG : rot -26:sc= 0.355 USER MOD Single : A 95 THR OG1 : rot 30:sc= -0.607 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 1.09 K(o=1.1,f=-0.076) USER MOD Single : A 101 SER OG : rot 175:sc= -0.636 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -119:sc= -0.672 (180deg=-2.5!) USER MOD Single : A 111 HIS : no HE2:sc= -0.36 K(o=-0.36,f=-1.1) USER MOD Single : A 112 LYS NZ :NH3+ 150:sc= -0.296 (180deg=-1.45!) USER MOD Single : A 117 THR OG1 : rot 85:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -6.453 18.147 2.632 1.00 0.00 N ATOM 196 CA PRO A 15 -7.540 17.172 2.504 1.00 0.00 C ATOM 197 C PRO A 15 -7.060 15.839 1.941 1.00 0.00 C ATOM 198 O PRO A 15 -7.595 14.783 2.279 1.00 0.00 O ATOM 199 CB PRO A 15 -8.509 17.846 1.529 1.00 0.00 C ATOM 200 CG PRO A 15 -7.659 18.775 0.733 1.00 0.00 C ATOM 201 CD PRO A 15 -6.579 19.251 1.665 1.00 0.00 C ATOM 0 HA PRO A 15 -7.985 16.929 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.001 17.113 0.889 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.294 18.384 2.060 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.232 18.268 -0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.245 19.613 0.355 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.643 19.431 1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.854 20.185 2.155 1.00 0.00 H new ATOM 209 N MET A 16 -6.048 15.895 1.082 1.00 0.00 N ATOM 210 CA MET A 16 -5.494 14.690 0.474 1.00 0.00 C ATOM 211 C MET A 16 -4.871 13.785 1.531 1.00 0.00 C ATOM 212 O MET A 16 -4.572 12.621 1.266 1.00 0.00 O ATOM 213 CB MET A 16 -4.448 15.060 -0.579 1.00 0.00 C ATOM 214 CG MET A 16 -5.048 15.564 -1.881 1.00 0.00 C ATOM 215 SD MET A 16 -3.859 15.575 -3.236 1.00 0.00 S ATOM 216 CE MET A 16 -3.513 13.825 -3.397 1.00 0.00 C ATOM 0 H MET A 16 -5.595 16.761 0.791 1.00 0.00 H new ATOM 0 HA MET A 16 -6.308 14.148 -0.008 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.789 15.827 -0.171 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.830 14.187 -0.787 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.896 14.936 -2.153 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.433 16.573 -1.732 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.126 13.621 -4.395 1.00 0.00 H new ATOM 0 HE2 MET A 16 -2.772 13.531 -2.654 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.430 13.257 -3.240 1.00 0.00 H new ATOM 226 N GLN A 17 -4.678 14.327 2.729 1.00 0.00 N ATOM 227 CA GLN A 17 -4.089 13.567 3.825 1.00 0.00 C ATOM 228 C GLN A 17 -5.069 12.524 4.353 1.00 0.00 C ATOM 229 O GLN A 17 -4.704 11.369 4.568 1.00 0.00 O ATOM 230 CB GLN A 17 -3.667 14.506 4.956 1.00 0.00 C ATOM 231 CG GLN A 17 -2.945 13.802 6.094 1.00 0.00 C ATOM 232 CD GLN A 17 -2.306 14.772 7.069 1.00 0.00 C ATOM 233 OE1 GLN A 17 -1.455 15.578 6.692 1.00 0.00 O ATOM 234 NE2 GLN A 17 -2.714 14.700 8.330 1.00 0.00 N ATOM 0 H GLN A 17 -4.921 15.289 2.965 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.208 13.051 3.443 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.018 15.282 4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.551 15.005 5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.651 13.167 6.629 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.177 13.148 5.682 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.422 14.017 8.599 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.320 15.328 9.030 1.00 0.00 H new ATOM 243 N GLN A 18 -6.314 12.941 4.560 1.00 0.00 N ATOM 244 CA GLN A 18 -7.346 12.043 5.064 1.00 0.00 C ATOM 245 C GLN A 18 -7.698 10.981 4.027 1.00 0.00 C ATOM 246 O GLN A 18 -8.086 9.865 4.372 1.00 0.00 O ATOM 247 CB GLN A 18 -8.598 12.834 5.446 1.00 0.00 C ATOM 248 CG GLN A 18 -8.340 13.919 6.480 1.00 0.00 C ATOM 249 CD GLN A 18 -9.605 14.360 7.190 1.00 0.00 C ATOM 250 OE1 GLN A 18 -10.605 13.643 7.204 1.00 0.00 O ATOM 251 NE2 GLN A 18 -9.566 15.546 7.786 1.00 0.00 N ATOM 0 H GLN A 18 -6.632 13.894 4.387 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.956 11.544 5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.017 13.290 4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.349 12.145 5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.624 13.552 7.215 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.883 14.780 5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.715 16.108 7.749 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.387 15.895 8.281 1.00 0.00 H new ATOM 260 N LYS A 19 -7.560 11.337 2.754 1.00 0.00 N ATOM 261 CA LYS A 19 -7.862 10.415 1.665 1.00 0.00 C ATOM 262 C LYS A 19 -6.811 9.313 1.577 1.00 0.00 C ATOM 263 O LYS A 19 -7.067 8.239 1.032 1.00 0.00 O ATOM 264 CB LYS A 19 -7.936 11.171 0.336 1.00 0.00 C ATOM 265 CG LYS A 19 -8.301 10.289 -0.845 1.00 0.00 C ATOM 266 CD LYS A 19 -9.804 10.102 -0.959 1.00 0.00 C ATOM 267 CE LYS A 19 -10.153 8.886 -1.802 1.00 0.00 C ATOM 268 NZ LYS A 19 -10.011 9.161 -3.259 1.00 0.00 N ATOM 0 H LYS A 19 -7.241 12.257 2.451 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.829 9.955 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.672 11.971 0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.973 11.643 0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.918 10.733 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.820 9.317 -0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.234 9.991 0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.250 10.993 -1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.506 8.054 -1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.177 8.578 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.258 8.307 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.647 9.938 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.028 9.430 -3.467 1.00 0.00 H new ATOM 282 N LEU A 20 -5.628 9.586 2.118 1.00 0.00 N ATOM 283 CA LEU A 20 -4.539 8.616 2.103 1.00 0.00 C ATOM 284 C LEU A 20 -4.698 7.600 3.229 1.00 0.00 C ATOM 285 O LEU A 20 -4.296 6.444 3.097 1.00 0.00 O ATOM 286 CB LEU A 20 -3.192 9.330 2.231 1.00 0.00 C ATOM 287 CG LEU A 20 -2.533 9.761 0.920 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.486 10.834 1.177 1.00 0.00 C ATOM 289 CD2 LEU A 20 -1.912 8.564 0.217 1.00 0.00 C ATOM 0 H LEU A 20 -5.399 10.470 2.572 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.573 8.084 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.330 10.215 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.504 8.672 2.761 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.301 10.180 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.028 11.129 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.959 11.702 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.720 10.442 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.448 8.889 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.156 8.115 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.686 7.828 -0.001 1.00 0.00 H new ATOM 301 N ASN A 21 -5.288 8.039 4.336 1.00 0.00 N ATOM 302 CA ASN A 21 -5.502 7.167 5.485 1.00 0.00 C ATOM 303 C ASN A 21 -6.862 6.481 5.402 1.00 0.00 C ATOM 304 O ASN A 21 -7.147 5.553 6.158 1.00 0.00 O ATOM 305 CB ASN A 21 -5.401 7.968 6.785 1.00 0.00 C ATOM 306 CG ASN A 21 -5.373 7.077 8.012 1.00 0.00 C ATOM 307 OD1 ASN A 21 -6.372 6.940 8.717 1.00 0.00 O ATOM 308 ND2 ASN A 21 -4.223 6.466 8.273 1.00 0.00 N ATOM 0 H ASN A 21 -5.626 8.993 4.462 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.727 6.400 5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.499 8.580 6.763 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.248 8.651 6.854 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.143 5.854 9.085 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.419 6.608 7.661 1.00 0.00 H new ATOM 315 N GLU A 22 -7.697 6.944 4.477 1.00 0.00 N ATOM 316 CA GLU A 22 -9.027 6.375 4.295 1.00 0.00 C ATOM 317 C GLU A 22 -8.991 5.212 3.308 1.00 0.00 C ATOM 318 O GLU A 22 -9.672 4.203 3.494 1.00 0.00 O ATOM 319 CB GLU A 22 -10.002 7.446 3.803 1.00 0.00 C ATOM 320 CG GLU A 22 -9.997 7.626 2.294 1.00 0.00 C ATOM 321 CD GLU A 22 -11.049 8.611 1.820 1.00 0.00 C ATOM 322 OE1 GLU A 22 -11.244 9.642 2.496 1.00 0.00 O ATOM 323 OE2 GLU A 22 -11.677 8.349 0.773 1.00 0.00 O ATOM 0 H GLU A 22 -7.476 7.711 3.842 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.368 6.000 5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.010 7.184 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.753 8.397 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.013 7.970 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.167 6.661 1.816 1.00 0.00 H new ATOM 330 N VAL A 23 -8.192 5.361 2.256 1.00 0.00 N ATOM 331 CA VAL A 23 -8.066 4.324 1.239 1.00 0.00 C ATOM 332 C VAL A 23 -7.199 3.172 1.733 1.00 0.00 C ATOM 333 O VAL A 23 -7.332 2.038 1.272 1.00 0.00 O ATOM 334 CB VAL A 23 -7.461 4.885 -0.062 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.960 3.755 -0.949 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.483 5.739 -0.799 1.00 0.00 C ATOM 0 H VAL A 23 -7.622 6.190 2.086 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.072 3.957 1.035 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.611 5.517 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.536 4.171 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.194 3.188 -0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.790 3.095 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.039 6.127 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.354 5.132 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.789 6.570 -0.163 1.00 0.00 H new ATOM 346 N TYR A 24 -6.311 3.469 2.675 1.00 0.00 N ATOM 347 CA TYR A 24 -5.420 2.458 3.232 1.00 0.00 C ATOM 348 C TYR A 24 -6.162 1.559 4.216 1.00 0.00 C ATOM 349 O TYR A 24 -6.142 0.335 4.093 1.00 0.00 O ATOM 350 CB TYR A 24 -4.231 3.123 3.928 1.00 0.00 C ATOM 351 CG TYR A 24 -3.543 2.230 4.937 1.00 0.00 C ATOM 352 CD1 TYR A 24 -4.059 2.068 6.216 1.00 0.00 C ATOM 353 CD2 TYR A 24 -2.377 1.549 4.609 1.00 0.00 C ATOM 354 CE1 TYR A 24 -3.433 1.254 7.141 1.00 0.00 C ATOM 355 CE2 TYR A 24 -1.745 0.732 5.526 1.00 0.00 C ATOM 356 CZ TYR A 24 -2.277 0.588 6.791 1.00 0.00 C ATOM 357 OH TYR A 24 -1.651 -0.224 7.708 1.00 0.00 O ATOM 0 H TYR A 24 -6.189 4.402 3.069 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.054 1.842 2.411 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.506 3.432 3.175 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.574 4.028 4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.965 2.587 6.493 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.958 1.660 3.620 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.847 1.140 8.132 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.840 0.209 5.255 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.306 -0.837 8.103 1.00 0.00 H new ATOM 367 N GLU A 25 -6.818 2.178 5.193 1.00 0.00 N ATOM 368 CA GLU A 25 -7.568 1.435 6.200 1.00 0.00 C ATOM 369 C GLU A 25 -8.693 0.630 5.555 1.00 0.00 C ATOM 370 O GLU A 25 -8.965 -0.503 5.951 1.00 0.00 O ATOM 371 CB GLU A 25 -8.144 2.390 7.247 1.00 0.00 C ATOM 372 CG GLU A 25 -8.960 3.525 6.652 1.00 0.00 C ATOM 373 CD GLU A 25 -10.427 3.174 6.504 1.00 0.00 C ATOM 374 OE1 GLU A 25 -10.857 2.159 7.091 1.00 0.00 O ATOM 375 OE2 GLU A 25 -11.146 3.915 5.801 1.00 0.00 O ATOM 0 H GLU A 25 -6.845 3.191 5.309 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.883 0.743 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.772 1.825 7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.326 2.810 7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.864 4.407 7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.553 3.787 5.675 1.00 0.00 H new ATOM 382 N ALA A 26 -9.344 1.225 4.561 1.00 0.00 N ATOM 383 CA ALA A 26 -10.438 0.565 3.861 1.00 0.00 C ATOM 384 C ALA A 26 -10.071 -0.870 3.497 1.00 0.00 C ATOM 385 O ALA A 26 -10.880 -1.786 3.646 1.00 0.00 O ATOM 386 CB ALA A 26 -10.815 1.348 2.612 1.00 0.00 C ATOM 0 H ALA A 26 -9.132 2.164 4.223 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.298 0.534 4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.634 0.843 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.128 2.353 2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.953 1.409 1.947 1.00 0.00 H new ATOM 392 N VAL A 27 -8.845 -1.059 3.019 1.00 0.00 N ATOM 393 CA VAL A 27 -8.370 -2.382 2.634 1.00 0.00 C ATOM 394 C VAL A 27 -7.981 -3.204 3.858 1.00 0.00 C ATOM 395 O VAL A 27 -8.041 -4.434 3.839 1.00 0.00 O ATOM 396 CB VAL A 27 -7.160 -2.290 1.686 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.569 -3.670 1.438 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.559 -1.629 0.376 1.00 0.00 C ATOM 0 H VAL A 27 -8.163 -0.312 2.889 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.192 -2.875 2.115 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.396 -1.674 2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.715 -3.585 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.244 -4.102 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.324 -4.313 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.692 -1.572 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.341 -2.217 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.930 -0.624 0.574 1.00 0.00 H new ATOM 408 N LYS A 28 -7.583 -2.517 4.923 1.00 0.00 N ATOM 409 CA LYS A 28 -7.186 -3.182 6.159 1.00 0.00 C ATOM 410 C LYS A 28 -8.388 -3.829 6.838 1.00 0.00 C ATOM 411 O LYS A 28 -8.297 -4.944 7.352 1.00 0.00 O ATOM 412 CB LYS A 28 -6.526 -2.182 7.111 1.00 0.00 C ATOM 413 CG LYS A 28 -5.947 -2.823 8.360 1.00 0.00 C ATOM 414 CD LYS A 28 -5.402 -1.779 9.321 1.00 0.00 C ATOM 415 CE LYS A 28 -4.543 -2.413 10.404 1.00 0.00 C ATOM 416 NZ LYS A 28 -4.484 -1.570 11.630 1.00 0.00 N ATOM 0 H LYS A 28 -7.527 -1.499 4.955 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.468 -3.963 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.731 -1.658 6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.261 -1.433 7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.717 -3.411 8.859 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.151 -3.513 8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.812 -1.047 8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.230 -1.239 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.944 -3.394 10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.534 -2.570 10.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.889 -2.037 12.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.078 -0.642 11.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.444 -1.442 12.009 1.00 0.00 H new ATOM 430 N ASN A 29 -9.515 -3.124 6.836 1.00 0.00 N ATOM 431 CA ASN A 29 -10.735 -3.632 7.452 1.00 0.00 C ATOM 432 C ASN A 29 -11.486 -4.552 6.495 1.00 0.00 C ATOM 433 O ASN A 29 -12.202 -5.458 6.921 1.00 0.00 O ATOM 434 CB ASN A 29 -11.638 -2.471 7.876 1.00 0.00 C ATOM 435 CG ASN A 29 -12.547 -2.007 6.754 1.00 0.00 C ATOM 436 OD1 ASN A 29 -13.540 -2.659 6.434 1.00 0.00 O ATOM 437 ND2 ASN A 29 -12.209 -0.873 6.150 1.00 0.00 N ATOM 0 H ASN A 29 -9.608 -2.200 6.415 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.455 -4.207 8.334 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.244 -2.778 8.728 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.021 -1.637 8.209 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.782 -0.511 5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.376 -0.365 6.448 1.00 0.00 H new ATOM 444 N TYR A 30 -11.318 -4.312 5.199 1.00 0.00 N ATOM 445 CA TYR A 30 -11.981 -5.117 4.180 1.00 0.00 C ATOM 446 C TYR A 30 -12.065 -6.579 4.611 1.00 0.00 C ATOM 447 O TYR A 30 -11.049 -7.264 4.730 1.00 0.00 O ATOM 448 CB TYR A 30 -11.235 -5.009 2.849 1.00 0.00 C ATOM 449 CG TYR A 30 -11.907 -5.751 1.716 1.00 0.00 C ATOM 450 CD1 TYR A 30 -12.904 -5.149 0.959 1.00 0.00 C ATOM 451 CD2 TYR A 30 -11.544 -7.055 1.403 1.00 0.00 C ATOM 452 CE1 TYR A 30 -13.521 -5.824 -0.076 1.00 0.00 C ATOM 453 CE2 TYR A 30 -12.154 -7.737 0.368 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.142 -7.118 -0.368 1.00 0.00 C ATOM 455 OH TYR A 30 -13.753 -7.793 -1.399 1.00 0.00 O ATOM 0 H TYR A 30 -10.728 -3.566 4.829 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.994 -4.735 4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.142 -3.957 2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.224 -5.396 2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.202 -4.135 1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.772 -7.544 1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.296 -5.342 -0.653 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.859 -8.750 0.137 1.00 0.00 H new ATOM 0 HH TYR A 30 -14.037 -7.154 -2.085 1.00 0.00 H new ATOM 465 N THR A 31 -13.286 -7.051 4.843 1.00 0.00 N ATOM 466 CA THR A 31 -13.506 -8.430 5.261 1.00 0.00 C ATOM 467 C THR A 31 -14.021 -9.279 4.105 1.00 0.00 C ATOM 468 O THR A 31 -14.235 -8.778 3.001 1.00 0.00 O ATOM 469 CB THR A 31 -14.507 -8.510 6.428 1.00 0.00 C ATOM 470 OG1 THR A 31 -15.754 -7.920 6.045 1.00 0.00 O ATOM 471 CG2 THR A 31 -13.962 -7.802 7.659 1.00 0.00 C ATOM 0 H THR A 31 -14.138 -6.498 4.748 1.00 0.00 H new ATOM 0 HA THR A 31 -12.542 -8.818 5.592 1.00 0.00 H new ATOM 0 HB THR A 31 -14.662 -9.561 6.672 1.00 0.00 H new ATOM 0 HG1 THR A 31 -16.386 -7.976 6.792 1.00 0.00 H new ATOM 0 HG21 THR A 31 -14.687 -7.872 8.470 1.00 0.00 H new ATOM 0 HG22 THR A 31 -13.028 -8.273 7.966 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.780 -6.753 7.425 1.00 0.00 H new ATOM 479 N ASP A 32 -14.218 -10.567 4.365 1.00 0.00 N ATOM 480 CA ASP A 32 -14.710 -11.486 3.345 1.00 0.00 C ATOM 481 C ASP A 32 -16.215 -11.694 3.482 1.00 0.00 C ATOM 482 O ASP A 32 -16.870 -11.049 4.301 1.00 0.00 O ATOM 483 CB ASP A 32 -13.986 -12.829 3.447 1.00 0.00 C ATOM 484 CG ASP A 32 -13.871 -13.528 2.106 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.026 -13.108 1.288 1.00 0.00 O ATOM 486 OD2 ASP A 32 -14.626 -14.496 1.876 1.00 0.00 O ATOM 0 H ASP A 32 -14.045 -10.998 5.273 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.509 -11.047 2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.989 -12.671 3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.519 -13.474 4.145 1.00 0.00 H new ATOM 491 N LYS A 33 -16.758 -12.598 2.673 1.00 0.00 N ATOM 492 CA LYS A 33 -18.186 -12.892 2.703 1.00 0.00 C ATOM 493 C LYS A 33 -18.580 -13.542 4.025 1.00 0.00 C ATOM 494 O LYS A 33 -19.759 -13.791 4.278 1.00 0.00 O ATOM 495 CB LYS A 33 -18.563 -13.810 1.538 1.00 0.00 C ATOM 496 CG LYS A 33 -18.876 -13.065 0.252 1.00 0.00 C ATOM 497 CD LYS A 33 -20.237 -12.393 0.315 1.00 0.00 C ATOM 498 CE LYS A 33 -20.719 -11.981 -1.068 1.00 0.00 C ATOM 499 NZ LYS A 33 -21.344 -13.118 -1.799 1.00 0.00 N ATOM 0 H LYS A 33 -16.230 -13.140 1.988 1.00 0.00 H new ATOM 0 HA LYS A 33 -18.728 -11.951 2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -17.744 -14.505 1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -19.430 -14.406 1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.107 -12.315 0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.851 -13.760 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -20.960 -13.073 0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -20.181 -11.515 0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -21.440 -11.169 -0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.879 -11.596 -1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.659 -12.797 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.648 -13.883 -1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -22.161 -13.469 -1.261 1.00 0.00 H new ATOM 513 N ARG A 34 -17.587 -13.814 4.865 1.00 0.00 N ATOM 514 CA ARG A 34 -17.830 -14.435 6.161 1.00 0.00 C ATOM 515 C ARG A 34 -17.614 -13.434 7.293 1.00 0.00 C ATOM 516 O ARG A 34 -18.257 -13.516 8.339 1.00 0.00 O ATOM 517 CB ARG A 34 -16.912 -15.643 6.353 1.00 0.00 C ATOM 518 CG ARG A 34 -15.438 -15.282 6.430 1.00 0.00 C ATOM 519 CD ARG A 34 -14.558 -16.521 6.394 1.00 0.00 C ATOM 520 NE ARG A 34 -13.238 -16.239 5.835 1.00 0.00 N ATOM 521 CZ ARG A 34 -12.989 -16.178 4.532 1.00 0.00 C ATOM 522 NH1 ARG A 34 -13.966 -16.377 3.658 1.00 0.00 N ATOM 523 NH2 ARG A 34 -11.762 -15.916 4.101 1.00 0.00 N ATOM 0 H ARG A 34 -16.606 -13.614 4.671 1.00 0.00 H new ATOM 0 HA ARG A 34 -18.867 -14.768 6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -17.198 -16.164 7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.064 -16.339 5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -15.179 -14.626 5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.246 -14.725 7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.447 -16.916 7.404 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.045 -17.295 5.801 1.00 0.00 H new ATOM 0 HE ARG A 34 -12.465 -16.080 6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.911 -16.577 3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.773 -16.330 2.658 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.008 -15.761 4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.572 -15.869 3.100 1.00 0.00 H new ATOM 537 N GLY A 35 -16.703 -12.490 7.075 1.00 0.00 N ATOM 538 CA GLY A 35 -16.418 -11.488 8.085 1.00 0.00 C ATOM 539 C GLY A 35 -14.983 -11.546 8.571 1.00 0.00 C ATOM 540 O GLY A 35 -14.651 -10.986 9.616 1.00 0.00 O ATOM 0 H GLY A 35 -16.158 -12.402 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.620 -10.498 7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.091 -11.628 8.931 1.00 0.00 H new ATOM 544 N ARG A 36 -14.131 -12.226 7.811 1.00 0.00 N ATOM 545 CA ARG A 36 -12.724 -12.358 8.171 1.00 0.00 C ATOM 546 C ARG A 36 -11.863 -11.391 7.363 1.00 0.00 C ATOM 547 O ARG A 36 -11.921 -11.372 6.134 1.00 0.00 O ATOM 548 CB ARG A 36 -12.249 -13.794 7.943 1.00 0.00 C ATOM 549 CG ARG A 36 -12.409 -14.689 9.161 1.00 0.00 C ATOM 550 CD ARG A 36 -13.868 -14.822 9.567 1.00 0.00 C ATOM 551 NE ARG A 36 -14.013 -15.237 10.959 1.00 0.00 N ATOM 552 CZ ARG A 36 -13.743 -16.463 11.393 1.00 0.00 C ATOM 553 NH1 ARG A 36 -13.315 -17.390 10.547 1.00 0.00 N ATOM 554 NH2 ARG A 36 -13.900 -16.764 12.676 1.00 0.00 N ATOM 0 H ARG A 36 -14.390 -12.694 6.942 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.621 -12.113 9.228 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.806 -14.224 7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.199 -13.778 7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.999 -15.676 8.945 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.835 -14.280 9.992 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.374 -13.868 9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.360 -15.548 8.919 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.340 -14.547 11.636 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.192 -17.162 9.560 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.108 -18.331 10.883 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.228 -16.054 13.330 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.692 -17.706 13.008 1.00 0.00 H new ATOM 568 N ARG A 37 -11.066 -10.590 8.063 1.00 0.00 N ATOM 569 CA ARG A 37 -10.194 -9.620 7.410 1.00 0.00 C ATOM 570 C ARG A 37 -9.121 -10.323 6.584 1.00 0.00 C ATOM 571 O ARG A 37 -8.512 -11.294 7.035 1.00 0.00 O ATOM 572 CB ARG A 37 -9.539 -8.711 8.451 1.00 0.00 C ATOM 573 CG ARG A 37 -10.365 -7.482 8.794 1.00 0.00 C ATOM 574 CD ARG A 37 -11.361 -7.773 9.906 1.00 0.00 C ATOM 575 NE ARG A 37 -11.908 -6.549 10.484 1.00 0.00 N ATOM 576 CZ ARG A 37 -11.207 -5.719 11.249 1.00 0.00 C ATOM 577 NH1 ARG A 37 -9.937 -5.981 11.525 1.00 0.00 N ATOM 578 NH2 ARG A 37 -11.776 -4.625 11.738 1.00 0.00 N ATOM 0 H ARG A 37 -11.006 -10.593 9.081 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.803 -9.013 6.740 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.361 -9.284 9.361 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.565 -8.392 8.080 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.704 -6.671 9.099 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.898 -7.141 7.906 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.174 -8.384 9.514 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.873 -8.356 10.687 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.882 -6.318 10.290 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.496 -6.821 11.150 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.401 -5.343 12.112 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.753 -4.420 11.527 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.237 -3.989 12.325 1.00 0.00 H new ATOM 592 N LEU A 38 -8.894 -9.826 5.374 1.00 0.00 N ATOM 593 CA LEU A 38 -7.894 -10.406 4.484 1.00 0.00 C ATOM 594 C LEU A 38 -6.514 -9.818 4.758 1.00 0.00 C ATOM 595 O LEU A 38 -5.501 -10.510 4.656 1.00 0.00 O ATOM 596 CB LEU A 38 -8.282 -10.166 3.023 1.00 0.00 C ATOM 597 CG LEU A 38 -9.312 -11.130 2.435 1.00 0.00 C ATOM 598 CD1 LEU A 38 -10.720 -10.712 2.828 1.00 0.00 C ATOM 599 CD2 LEU A 38 -9.176 -11.197 0.921 1.00 0.00 C ATOM 0 H LEU A 38 -9.389 -9.023 4.986 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.855 -11.479 4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.671 -9.152 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.379 -10.216 2.415 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.124 -12.124 2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.440 -11.410 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.811 -10.717 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.920 -9.709 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.917 -11.888 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.337 -10.206 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.177 -11.545 0.661 1.00 0.00 H new ATOM 611 N SER A 39 -6.481 -8.536 5.110 1.00 0.00 N ATOM 612 CA SER A 39 -5.225 -7.854 5.399 1.00 0.00 C ATOM 613 C SER A 39 -4.473 -8.555 6.525 1.00 0.00 C ATOM 614 O SER A 39 -3.299 -8.278 6.769 1.00 0.00 O ATOM 615 CB SER A 39 -5.488 -6.395 5.776 1.00 0.00 C ATOM 616 OG SER A 39 -5.960 -6.290 7.108 1.00 0.00 O ATOM 0 H SER A 39 -7.310 -7.949 5.202 1.00 0.00 H new ATOM 0 HA SER A 39 -4.608 -7.884 4.501 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.571 -5.816 5.665 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.220 -5.966 5.092 1.00 0.00 H new ATOM 0 HG SER A 39 -6.849 -5.877 7.109 1.00 0.00 H new ATOM 622 N ALA A 40 -5.158 -9.465 7.210 1.00 0.00 N ATOM 623 CA ALA A 40 -4.555 -10.208 8.309 1.00 0.00 C ATOM 624 C ALA A 40 -3.205 -10.789 7.904 1.00 0.00 C ATOM 625 O ALA A 40 -2.194 -10.555 8.567 1.00 0.00 O ATOM 626 CB ALA A 40 -5.490 -11.315 8.774 1.00 0.00 C ATOM 0 H ALA A 40 -6.131 -9.705 7.023 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.390 -9.516 9.135 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.027 -11.862 9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.430 -10.879 9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.684 -11.998 7.947 1.00 0.00 H new ATOM 632 N ILE A 41 -3.196 -11.548 6.813 1.00 0.00 N ATOM 633 CA ILE A 41 -1.969 -12.162 6.320 1.00 0.00 C ATOM 634 C ILE A 41 -1.093 -11.140 5.604 1.00 0.00 C ATOM 635 O ILE A 41 -0.061 -11.486 5.029 1.00 0.00 O ATOM 636 CB ILE A 41 -2.270 -13.328 5.360 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.996 -14.127 5.079 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.869 -12.804 4.063 1.00 0.00 C ATOM 639 CD1 ILE A 41 -1.258 -15.563 4.682 1.00 0.00 C ATOM 0 H ILE A 41 -4.024 -11.752 6.254 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.436 -12.547 7.189 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.996 -13.990 5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.436 -13.635 4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.365 -14.114 5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.076 -13.639 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.796 -12.273 4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.164 -12.124 3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.310 -16.068 4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.790 -16.071 5.486 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.863 -15.585 3.775 1.00 0.00 H new ATOM 651 N PHE A 42 -1.510 -9.879 5.643 1.00 0.00 N ATOM 652 CA PHE A 42 -0.763 -8.806 4.998 1.00 0.00 C ATOM 653 C PHE A 42 -0.630 -7.602 5.926 1.00 0.00 C ATOM 654 O PHE A 42 -0.633 -6.455 5.478 1.00 0.00 O ATOM 655 CB PHE A 42 -1.451 -8.387 3.697 1.00 0.00 C ATOM 656 CG PHE A 42 -1.278 -9.379 2.582 1.00 0.00 C ATOM 657 CD1 PHE A 42 -0.015 -9.807 2.208 1.00 0.00 C ATOM 658 CD2 PHE A 42 -2.379 -9.882 1.908 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.147 -10.719 1.182 1.00 0.00 C ATOM 660 CE2 PHE A 42 -2.224 -10.794 0.881 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.959 -11.214 0.518 1.00 0.00 C ATOM 0 H PHE A 42 -2.362 -9.575 6.115 1.00 0.00 H new ATOM 0 HA PHE A 42 0.235 -9.179 4.769 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.515 -8.247 3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.054 -7.423 3.380 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.853 -9.424 2.724 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.370 -9.558 2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.137 -11.044 0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.091 -11.178 0.363 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.835 -11.928 -0.283 1.00 0.00 H new ATOM 671 N LEU A 43 -0.513 -7.872 7.222 1.00 0.00 N ATOM 672 CA LEU A 43 -0.379 -6.812 8.215 1.00 0.00 C ATOM 673 C LEU A 43 1.084 -6.423 8.402 1.00 0.00 C ATOM 674 O LEU A 43 1.461 -5.268 8.199 1.00 0.00 O ATOM 675 CB LEU A 43 -0.974 -7.259 9.551 1.00 0.00 C ATOM 676 CG LEU A 43 -2.469 -6.998 9.740 1.00 0.00 C ATOM 677 CD1 LEU A 43 -2.932 -7.507 11.097 1.00 0.00 C ATOM 678 CD2 LEU A 43 -2.775 -5.515 9.592 1.00 0.00 C ATOM 0 H LEU A 43 -0.508 -8.816 7.609 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.925 -5.940 7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.795 -8.328 9.667 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.433 -6.757 10.353 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.013 -7.539 8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.998 -7.313 11.214 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.749 -8.579 11.165 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.381 -6.994 11.885 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.843 -5.348 9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.220 -4.952 10.343 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.481 -5.180 8.597 1.00 0.00 H new ATOM 690 N ARG A 44 1.905 -7.394 8.789 1.00 0.00 N ATOM 691 CA ARG A 44 3.327 -7.154 9.003 1.00 0.00 C ATOM 692 C ARG A 44 4.154 -8.355 8.554 1.00 0.00 C ATOM 693 O ARG A 44 3.775 -9.504 8.781 1.00 0.00 O ATOM 694 CB ARG A 44 3.599 -6.856 10.478 1.00 0.00 C ATOM 695 CG ARG A 44 3.515 -5.379 10.827 1.00 0.00 C ATOM 696 CD ARG A 44 2.106 -4.983 11.239 1.00 0.00 C ATOM 697 NE ARG A 44 1.773 -5.460 12.578 1.00 0.00 N ATOM 698 CZ ARG A 44 2.139 -4.837 13.693 1.00 0.00 C ATOM 699 NH1 ARG A 44 2.845 -3.717 13.628 1.00 0.00 N ATOM 700 NH2 ARG A 44 1.797 -5.334 14.875 1.00 0.00 N ATOM 0 H ARG A 44 1.609 -8.355 8.961 1.00 0.00 H new ATOM 0 HA ARG A 44 3.619 -6.290 8.406 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.883 -7.406 11.089 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.591 -7.226 10.738 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.209 -5.156 11.638 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.825 -4.783 9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.010 -3.898 11.207 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.392 -5.387 10.522 1.00 0.00 H new ATOM 0 HE ARG A 44 1.229 -6.319 12.662 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.108 -3.332 12.721 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.125 -3.240 14.485 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.253 -6.195 14.928 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.078 -4.855 15.730 1.00 0.00 H new ATOM 714 N LEU A 45 5.287 -8.080 7.915 1.00 0.00 N ATOM 715 CA LEU A 45 6.169 -9.138 7.433 1.00 0.00 C ATOM 716 C LEU A 45 6.867 -9.836 8.596 1.00 0.00 C ATOM 717 O LEU A 45 7.004 -9.288 9.690 1.00 0.00 O ATOM 718 CB LEU A 45 7.208 -8.562 6.470 1.00 0.00 C ATOM 719 CG LEU A 45 6.750 -8.370 5.024 1.00 0.00 C ATOM 720 CD1 LEU A 45 6.701 -9.705 4.298 1.00 0.00 C ATOM 721 CD2 LEU A 45 5.391 -7.687 4.982 1.00 0.00 C ATOM 0 H LEU A 45 5.616 -7.135 7.719 1.00 0.00 H new ATOM 0 HA LEU A 45 5.561 -9.873 6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.537 -7.598 6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.078 -9.219 6.470 1.00 0.00 H new ATOM 0 HG LEU A 45 7.472 -7.730 4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.373 -9.549 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.694 -10.156 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.001 -10.369 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.080 -7.558 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.659 -8.301 5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.459 -6.712 5.464 1.00 0.00 H new ATOM 733 N PRO A 46 7.323 -11.074 8.355 1.00 0.00 N ATOM 734 CA PRO A 46 8.018 -11.873 9.369 1.00 0.00 C ATOM 735 C PRO A 46 9.402 -11.321 9.693 1.00 0.00 C ATOM 736 O PRO A 46 9.944 -10.502 8.951 1.00 0.00 O ATOM 737 CB PRO A 46 8.132 -13.253 8.716 1.00 0.00 C ATOM 738 CG PRO A 46 8.092 -12.983 7.252 1.00 0.00 C ATOM 739 CD PRO A 46 7.196 -11.789 7.074 1.00 0.00 C ATOM 0 HA PRO A 46 7.485 -11.879 10.320 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.059 -13.751 9.002 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.313 -13.904 9.021 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.091 -12.782 6.865 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.706 -13.845 6.707 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.513 -11.170 6.235 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.165 -12.085 6.880 1.00 0.00 H new ATOM 747 N SER A 47 9.969 -11.775 10.807 1.00 0.00 N ATOM 748 CA SER A 47 11.289 -11.323 11.231 1.00 0.00 C ATOM 749 C SER A 47 12.379 -11.929 10.352 1.00 0.00 C ATOM 750 O SER A 47 12.362 -13.125 10.060 1.00 0.00 O ATOM 751 CB SER A 47 11.532 -11.695 12.695 1.00 0.00 C ATOM 752 OG SER A 47 12.640 -10.987 13.224 1.00 0.00 O ATOM 0 H SER A 47 9.535 -12.455 11.431 1.00 0.00 H new ATOM 0 HA SER A 47 11.325 -10.238 11.128 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.641 -11.474 13.282 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.709 -12.767 12.776 1.00 0.00 H new ATOM 0 HG SER A 47 12.773 -11.241 14.161 1.00 0.00 H new ATOM 758 N ARG A 48 13.325 -11.095 9.935 1.00 0.00 N ATOM 759 CA ARG A 48 14.423 -11.548 9.088 1.00 0.00 C ATOM 760 C ARG A 48 14.883 -12.944 9.495 1.00 0.00 C ATOM 761 O ARG A 48 15.054 -13.823 8.650 1.00 0.00 O ATOM 762 CB ARG A 48 15.596 -10.568 9.171 1.00 0.00 C ATOM 763 CG ARG A 48 16.144 -10.392 10.577 1.00 0.00 C ATOM 764 CD ARG A 48 16.993 -9.135 10.691 1.00 0.00 C ATOM 765 NE ARG A 48 18.309 -9.307 10.082 1.00 0.00 N ATOM 766 CZ ARG A 48 19.219 -8.342 10.012 1.00 0.00 C ATOM 767 NH1 ARG A 48 18.956 -7.142 10.512 1.00 0.00 N ATOM 768 NH2 ARG A 48 20.394 -8.575 9.443 1.00 0.00 N ATOM 0 H ARG A 48 13.354 -10.103 10.169 1.00 0.00 H new ATOM 0 HA ARG A 48 14.064 -11.588 8.060 1.00 0.00 H new ATOM 0 HB2 ARG A 48 16.397 -10.917 8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 48 15.276 -9.598 8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 48 15.318 -10.340 11.287 1.00 0.00 H new ATOM 0 HG3 ARG A 48 16.742 -11.262 10.847 1.00 0.00 H new ATOM 0 HD2 ARG A 48 16.477 -8.304 10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 48 17.111 -8.872 11.742 1.00 0.00 H new ATOM 0 HE ARG A 48 18.542 -10.219 9.689 1.00 0.00 H new ATOM 0 HH11 ARG A 48 18.054 -6.959 10.951 1.00 0.00 H new ATOM 0 HH12 ARG A 48 19.656 -6.402 10.457 1.00 0.00 H new ATOM 0 HH21 ARG A 48 20.600 -9.497 9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 48 21.091 -7.832 9.390 1.00 0.00 H new ATOM 782 N SER A 49 15.083 -13.141 10.794 1.00 0.00 N ATOM 783 CA SER A 49 15.528 -14.429 11.313 1.00 0.00 C ATOM 784 C SER A 49 14.499 -15.517 11.020 1.00 0.00 C ATOM 785 O SER A 49 14.847 -16.612 10.577 1.00 0.00 O ATOM 786 CB SER A 49 15.775 -14.338 12.820 1.00 0.00 C ATOM 787 OG SER A 49 16.853 -13.465 13.108 1.00 0.00 O ATOM 0 H SER A 49 14.944 -12.425 11.507 1.00 0.00 H new ATOM 0 HA SER A 49 16.461 -14.691 10.814 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.873 -13.984 13.319 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.990 -15.330 13.217 1.00 0.00 H new ATOM 0 HG SER A 49 16.990 -13.423 14.078 1.00 0.00 H new ATOM 793 N GLU A 50 13.231 -15.207 11.270 1.00 0.00 N ATOM 794 CA GLU A 50 12.151 -16.158 11.034 1.00 0.00 C ATOM 795 C GLU A 50 12.131 -16.607 9.576 1.00 0.00 C ATOM 796 O GLU A 50 12.414 -17.765 9.266 1.00 0.00 O ATOM 797 CB GLU A 50 10.804 -15.537 11.407 1.00 0.00 C ATOM 798 CG GLU A 50 9.609 -16.377 10.987 1.00 0.00 C ATOM 799 CD GLU A 50 9.338 -17.524 11.941 1.00 0.00 C ATOM 800 OE1 GLU A 50 9.054 -17.256 13.127 1.00 0.00 O ATOM 801 OE2 GLU A 50 9.411 -18.691 11.501 1.00 0.00 O ATOM 0 H GLU A 50 12.926 -14.305 11.636 1.00 0.00 H new ATOM 0 HA GLU A 50 12.326 -17.031 11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.770 -15.385 12.486 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.726 -14.553 10.944 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.725 -15.741 10.929 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.782 -16.774 9.987 1.00 0.00 H new ATOM 808 N LEU A 51 11.794 -15.682 8.683 1.00 0.00 N ATOM 809 CA LEU A 51 11.735 -15.982 7.256 1.00 0.00 C ATOM 810 C LEU A 51 12.614 -15.020 6.462 1.00 0.00 C ATOM 811 O LEU A 51 12.134 -14.075 5.836 1.00 0.00 O ATOM 812 CB LEU A 51 10.291 -15.901 6.757 1.00 0.00 C ATOM 813 CG LEU A 51 10.063 -16.297 5.298 1.00 0.00 C ATOM 814 CD1 LEU A 51 10.607 -17.692 5.031 1.00 0.00 C ATOM 815 CD2 LEU A 51 8.583 -16.224 4.951 1.00 0.00 C ATOM 0 H LEU A 51 11.558 -14.719 8.922 1.00 0.00 H new ATOM 0 HA LEU A 51 12.108 -16.995 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.673 -16.541 7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.936 -14.880 6.895 1.00 0.00 H new ATOM 0 HG LEU A 51 10.600 -15.593 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.435 -17.956 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.677 -17.711 5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.099 -18.410 5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.439 -16.509 3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.025 -16.905 5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.224 -15.206 5.102 1.00 0.00 H new ATOM 827 N PRO A 52 13.932 -15.267 6.486 1.00 0.00 N ATOM 828 CA PRO A 52 14.906 -14.436 5.771 1.00 0.00 C ATOM 829 C PRO A 52 14.803 -14.596 4.258 1.00 0.00 C ATOM 830 O PRO A 52 14.992 -13.637 3.509 1.00 0.00 O ATOM 831 CB PRO A 52 16.254 -14.958 6.273 1.00 0.00 C ATOM 832 CG PRO A 52 15.985 -16.362 6.692 1.00 0.00 C ATOM 833 CD PRO A 52 14.574 -16.376 7.212 1.00 0.00 C ATOM 0 HA PRO A 52 14.749 -13.373 5.956 1.00 0.00 H new ATOM 0 HB2 PRO A 52 17.011 -14.917 5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 52 16.624 -14.360 7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.098 -17.048 5.853 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.688 -16.681 7.462 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.081 -17.327 7.011 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.542 -16.222 8.291 1.00 0.00 H new ATOM 841 N ASP A 53 14.504 -15.812 3.815 1.00 0.00 N ATOM 842 CA ASP A 53 14.375 -16.096 2.390 1.00 0.00 C ATOM 843 C ASP A 53 13.531 -15.031 1.697 1.00 0.00 C ATOM 844 O ASP A 53 13.932 -14.475 0.675 1.00 0.00 O ATOM 845 CB ASP A 53 13.751 -17.477 2.179 1.00 0.00 C ATOM 846 CG ASP A 53 14.383 -18.539 3.057 1.00 0.00 C ATOM 847 OD1 ASP A 53 15.530 -18.941 2.770 1.00 0.00 O ATOM 848 OD2 ASP A 53 13.731 -18.967 4.032 1.00 0.00 O ATOM 0 H ASP A 53 14.346 -16.617 4.422 1.00 0.00 H new ATOM 0 HA ASP A 53 15.372 -16.085 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.683 -17.425 2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.857 -17.764 1.133 1.00 0.00 H new ATOM 853 N TYR A 54 12.360 -14.753 2.260 1.00 0.00 N ATOM 854 CA TYR A 54 11.458 -13.757 1.695 1.00 0.00 C ATOM 855 C TYR A 54 12.233 -12.547 1.183 1.00 0.00 C ATOM 856 O TYR A 54 11.960 -12.034 0.098 1.00 0.00 O ATOM 857 CB TYR A 54 10.433 -13.315 2.741 1.00 0.00 C ATOM 858 CG TYR A 54 9.757 -12.004 2.410 1.00 0.00 C ATOM 859 CD1 TYR A 54 8.758 -11.937 1.448 1.00 0.00 C ATOM 860 CD2 TYR A 54 10.118 -10.830 3.061 1.00 0.00 C ATOM 861 CE1 TYR A 54 8.139 -10.741 1.142 1.00 0.00 C ATOM 862 CE2 TYR A 54 9.504 -9.630 2.763 1.00 0.00 C ATOM 863 CZ TYR A 54 8.515 -9.590 1.802 1.00 0.00 C ATOM 864 OH TYR A 54 7.900 -8.396 1.502 1.00 0.00 O ATOM 0 H TYR A 54 12.014 -15.204 3.107 1.00 0.00 H new ATOM 0 HA TYR A 54 10.936 -14.213 0.854 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.673 -14.090 2.843 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.929 -13.225 3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.460 -12.836 0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.893 -10.857 3.813 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.365 -10.707 0.390 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.796 -8.728 3.279 1.00 0.00 H new ATOM 0 HH TYR A 54 7.605 -7.963 2.330 1.00 0.00 H new ATOM 874 N TYR A 55 13.202 -12.097 1.972 1.00 0.00 N ATOM 875 CA TYR A 55 14.017 -10.947 1.602 1.00 0.00 C ATOM 876 C TYR A 55 14.887 -11.263 0.389 1.00 0.00 C ATOM 877 O TYR A 55 15.066 -10.427 -0.498 1.00 0.00 O ATOM 878 CB TYR A 55 14.898 -10.519 2.777 1.00 0.00 C ATOM 879 CG TYR A 55 14.150 -9.757 3.848 1.00 0.00 C ATOM 880 CD1 TYR A 55 13.366 -8.656 3.525 1.00 0.00 C ATOM 881 CD2 TYR A 55 14.229 -10.137 5.182 1.00 0.00 C ATOM 882 CE1 TYR A 55 12.682 -7.956 4.500 1.00 0.00 C ATOM 883 CE2 TYR A 55 13.547 -9.444 6.163 1.00 0.00 C ATOM 884 CZ TYR A 55 12.775 -8.354 5.818 1.00 0.00 C ATOM 885 OH TYR A 55 12.095 -7.661 6.792 1.00 0.00 O ATOM 0 H TYR A 55 13.442 -12.512 2.872 1.00 0.00 H new ATOM 0 HA TYR A 55 13.346 -10.128 1.342 1.00 0.00 H new ATOM 0 HB2 TYR A 55 15.351 -11.405 3.222 1.00 0.00 H new ATOM 0 HB3 TYR A 55 15.712 -9.898 2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 55 13.290 -8.342 2.494 1.00 0.00 H new ATOM 0 HD2 TYR A 55 14.834 -10.989 5.457 1.00 0.00 H new ATOM 0 HE1 TYR A 55 12.078 -7.102 4.232 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.618 -9.754 7.195 1.00 0.00 H new ATOM 0 HH TYR A 55 12.266 -8.071 7.665 1.00 0.00 H new ATOM 895 N LEU A 56 15.426 -12.477 0.357 1.00 0.00 N ATOM 896 CA LEU A 56 16.277 -12.907 -0.747 1.00 0.00 C ATOM 897 C LEU A 56 15.471 -13.045 -2.035 1.00 0.00 C ATOM 898 O LEU A 56 15.904 -12.607 -3.102 1.00 0.00 O ATOM 899 CB LEU A 56 16.952 -14.238 -0.409 1.00 0.00 C ATOM 900 CG LEU A 56 18.041 -14.185 0.663 1.00 0.00 C ATOM 901 CD1 LEU A 56 18.471 -15.590 1.057 1.00 0.00 C ATOM 902 CD2 LEU A 56 19.234 -13.378 0.172 1.00 0.00 C ATOM 0 H LEU A 56 15.289 -13.181 1.083 1.00 0.00 H new ATOM 0 HA LEU A 56 17.043 -12.147 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.184 -14.940 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.388 -14.643 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 56 17.632 -13.692 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.247 -15.532 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.614 -16.136 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.861 -16.110 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 56 19.999 -13.351 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.643 -13.843 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 56 18.915 -12.362 -0.059 1.00 0.00 H new ATOM 914 N THR A 57 14.295 -13.655 -1.928 1.00 0.00 N ATOM 915 CA THR A 57 13.427 -13.850 -3.083 1.00 0.00 C ATOM 916 C THR A 57 12.796 -12.534 -3.525 1.00 0.00 C ATOM 917 O THR A 57 12.593 -12.302 -4.717 1.00 0.00 O ATOM 918 CB THR A 57 12.310 -14.866 -2.781 1.00 0.00 C ATOM 919 OG1 THR A 57 12.875 -16.078 -2.268 1.00 0.00 O ATOM 920 CG2 THR A 57 11.501 -15.168 -4.033 1.00 0.00 C ATOM 0 H THR A 57 13.921 -14.023 -1.053 1.00 0.00 H new ATOM 0 HA THR A 57 14.053 -14.238 -3.887 1.00 0.00 H new ATOM 0 HB THR A 57 11.646 -14.431 -2.034 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.158 -16.718 -2.077 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.718 -15.888 -3.795 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.048 -14.249 -4.404 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.156 -15.584 -4.798 1.00 0.00 H new ATOM 928 N ILE A 58 12.489 -11.676 -2.557 1.00 0.00 N ATOM 929 CA ILE A 58 11.883 -10.383 -2.848 1.00 0.00 C ATOM 930 C ILE A 58 12.892 -9.252 -2.679 1.00 0.00 C ATOM 931 O ILE A 58 13.299 -8.930 -1.563 1.00 0.00 O ATOM 932 CB ILE A 58 10.670 -10.113 -1.939 1.00 0.00 C ATOM 933 CG1 ILE A 58 9.721 -11.313 -1.948 1.00 0.00 C ATOM 934 CG2 ILE A 58 9.943 -8.853 -2.385 1.00 0.00 C ATOM 935 CD1 ILE A 58 9.233 -11.687 -3.331 1.00 0.00 C ATOM 0 H ILE A 58 12.650 -11.853 -1.566 1.00 0.00 H new ATOM 0 HA ILE A 58 11.550 -10.417 -3.885 1.00 0.00 H new ATOM 0 HB ILE A 58 11.026 -9.962 -0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.228 -12.171 -1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.861 -11.091 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.088 -8.676 -1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.623 -8.003 -2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.597 -8.977 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.565 -12.545 -3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.697 -10.844 -3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.085 -11.941 -3.961 1.00 0.00 H new ATOM 947 N LYS A 59 13.292 -8.652 -3.795 1.00 0.00 N ATOM 948 CA LYS A 59 14.251 -7.554 -3.772 1.00 0.00 C ATOM 949 C LYS A 59 13.679 -6.347 -3.037 1.00 0.00 C ATOM 950 O LYS A 59 14.376 -5.689 -2.264 1.00 0.00 O ATOM 951 CB LYS A 59 14.639 -7.159 -5.199 1.00 0.00 C ATOM 952 CG LYS A 59 15.441 -8.223 -5.928 1.00 0.00 C ATOM 953 CD LYS A 59 16.934 -8.041 -5.712 1.00 0.00 C ATOM 954 CE LYS A 59 17.740 -8.627 -6.861 1.00 0.00 C ATOM 955 NZ LYS A 59 17.575 -10.104 -6.957 1.00 0.00 N ATOM 0 H LYS A 59 12.967 -8.908 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 59 15.140 -7.893 -3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.733 -6.946 -5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.219 -6.237 -5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.140 -9.210 -5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.219 -8.181 -6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.161 -6.980 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.228 -8.520 -4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.427 -8.165 -7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.795 -8.387 -6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.179 -10.472 -7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.849 -10.543 -6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.581 -10.330 -7.164 1.00 0.00 H new ATOM 969 N LYS A 60 12.405 -6.060 -3.281 1.00 0.00 N ATOM 970 CA LYS A 60 11.737 -4.933 -2.640 1.00 0.00 C ATOM 971 C LYS A 60 10.442 -5.379 -1.969 1.00 0.00 C ATOM 972 O LYS A 60 9.368 -5.374 -2.572 1.00 0.00 O ATOM 973 CB LYS A 60 11.441 -3.838 -3.667 1.00 0.00 C ATOM 974 CG LYS A 60 11.209 -2.471 -3.049 1.00 0.00 C ATOM 975 CD LYS A 60 10.976 -1.410 -4.111 1.00 0.00 C ATOM 976 CE LYS A 60 12.288 -0.854 -4.642 1.00 0.00 C ATOM 977 NZ LYS A 60 13.073 -0.172 -3.576 1.00 0.00 N ATOM 0 H LYS A 60 11.814 -6.593 -3.919 1.00 0.00 H new ATOM 0 HA LYS A 60 12.404 -4.534 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.274 -3.774 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.560 -4.121 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.348 -2.514 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.070 -2.195 -2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.401 -1.837 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.379 -0.600 -3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.880 -1.664 -5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.084 -0.151 -5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.681 0.555 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.423 0.275 -2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.664 -0.869 -3.080 1.00 0.00 H new ATOM 991 N PRO A 61 10.542 -5.773 -0.691 1.00 0.00 N ATOM 992 CA PRO A 61 9.387 -6.226 0.091 1.00 0.00 C ATOM 993 C PRO A 61 8.423 -5.090 0.414 1.00 0.00 C ATOM 994 O PRO A 61 8.841 -4.006 0.820 1.00 0.00 O ATOM 995 CB PRO A 61 10.020 -6.772 1.373 1.00 0.00 C ATOM 996 CG PRO A 61 11.314 -6.045 1.497 1.00 0.00 C ATOM 997 CD PRO A 61 11.790 -5.805 0.091 1.00 0.00 C ATOM 0 HA PRO A 61 8.789 -6.959 -0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.381 -6.592 2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.176 -7.849 1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.183 -5.104 2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.039 -6.633 2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.341 -4.868 0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.457 -6.598 -0.248 1.00 0.00 H new ATOM 1005 N MET A 62 7.132 -5.345 0.231 1.00 0.00 N ATOM 1006 CA MET A 62 6.109 -4.343 0.506 1.00 0.00 C ATOM 1007 C MET A 62 5.306 -4.712 1.749 1.00 0.00 C ATOM 1008 O MET A 62 4.561 -5.692 1.750 1.00 0.00 O ATOM 1009 CB MET A 62 5.173 -4.197 -0.696 1.00 0.00 C ATOM 1010 CG MET A 62 3.910 -3.408 -0.390 1.00 0.00 C ATOM 1011 SD MET A 62 4.260 -1.742 0.205 1.00 0.00 S ATOM 1012 CE MET A 62 5.442 -1.186 -1.021 1.00 0.00 C ATOM 0 H MET A 62 6.769 -6.237 -0.106 1.00 0.00 H new ATOM 0 HA MET A 62 6.608 -3.391 0.688 1.00 0.00 H new ATOM 0 HB2 MET A 62 5.711 -3.706 -1.507 1.00 0.00 H new ATOM 0 HB3 MET A 62 4.895 -5.189 -1.052 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.297 -3.347 -1.289 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.325 -3.942 0.359 1.00 0.00 H new ATOM 0 HE1 MET A 62 5.553 -0.104 -0.955 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.406 -1.662 -0.839 1.00 0.00 H new ATOM 0 HE3 MET A 62 5.087 -1.454 -2.016 1.00 0.00 H new ATOM 1022 N ASP A 63 5.463 -3.921 2.805 1.00 0.00 N ATOM 1023 CA ASP A 63 4.751 -4.164 4.055 1.00 0.00 C ATOM 1024 C ASP A 63 3.803 -3.013 4.373 1.00 0.00 C ATOM 1025 O ASP A 63 4.002 -1.888 3.916 1.00 0.00 O ATOM 1026 CB ASP A 63 5.744 -4.357 5.202 1.00 0.00 C ATOM 1027 CG ASP A 63 6.923 -5.225 4.808 1.00 0.00 C ATOM 1028 OD1 ASP A 63 6.970 -5.668 3.642 1.00 0.00 O ATOM 1029 OD2 ASP A 63 7.798 -5.463 5.667 1.00 0.00 O ATOM 0 H ASP A 63 6.077 -3.106 2.821 1.00 0.00 H new ATOM 0 HA ASP A 63 4.161 -5.073 3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.107 -3.384 5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.231 -4.810 6.050 1.00 0.00 H new ATOM 1034 N MET A 64 2.772 -3.302 5.160 1.00 0.00 N ATOM 1035 CA MET A 64 1.793 -2.290 5.540 1.00 0.00 C ATOM 1036 C MET A 64 2.378 -1.327 6.567 1.00 0.00 C ATOM 1037 O MET A 64 1.768 -0.309 6.895 1.00 0.00 O ATOM 1038 CB MET A 64 0.535 -2.953 6.104 1.00 0.00 C ATOM 1039 CG MET A 64 -0.513 -3.266 5.047 1.00 0.00 C ATOM 1040 SD MET A 64 -1.995 -4.023 5.742 1.00 0.00 S ATOM 1041 CE MET A 64 -3.164 -2.675 5.593 1.00 0.00 C ATOM 0 H MET A 64 2.593 -4.229 5.547 1.00 0.00 H new ATOM 0 HA MET A 64 1.527 -1.724 4.647 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.817 -3.877 6.610 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.096 -2.299 6.857 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.788 -2.347 4.530 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.083 -3.935 4.302 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.154 -3.074 5.371 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.199 -2.119 6.530 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.852 -2.010 4.788 1.00 0.00 H new ATOM 1051 N GLU A 65 3.564 -1.654 7.072 1.00 0.00 N ATOM 1052 CA GLU A 65 4.229 -0.817 8.063 1.00 0.00 C ATOM 1053 C GLU A 65 5.091 0.245 7.387 1.00 0.00 C ATOM 1054 O GLU A 65 5.326 1.318 7.944 1.00 0.00 O ATOM 1055 CB GLU A 65 5.091 -1.675 8.992 1.00 0.00 C ATOM 1056 CG GLU A 65 6.066 -2.579 8.255 1.00 0.00 C ATOM 1057 CD GLU A 65 6.947 -3.376 9.196 1.00 0.00 C ATOM 1058 OE1 GLU A 65 7.426 -2.796 10.193 1.00 0.00 O ATOM 1059 OE2 GLU A 65 7.158 -4.579 8.936 1.00 0.00 O ATOM 0 H GLU A 65 4.083 -2.492 6.811 1.00 0.00 H new ATOM 0 HA GLU A 65 3.461 -0.316 8.652 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.650 -1.021 9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.440 -2.288 9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.509 -3.265 7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.694 -1.974 7.601 1.00 0.00 H new ATOM 1066 N LYS A 66 5.562 -0.062 6.183 1.00 0.00 N ATOM 1067 CA LYS A 66 6.398 0.865 5.429 1.00 0.00 C ATOM 1068 C LYS A 66 5.564 2.005 4.854 1.00 0.00 C ATOM 1069 O LYS A 66 6.078 3.094 4.597 1.00 0.00 O ATOM 1070 CB LYS A 66 7.121 0.128 4.300 1.00 0.00 C ATOM 1071 CG LYS A 66 6.361 0.133 2.985 1.00 0.00 C ATOM 1072 CD LYS A 66 7.191 -0.457 1.858 1.00 0.00 C ATOM 1073 CE LYS A 66 8.111 0.584 1.239 1.00 0.00 C ATOM 1074 NZ LYS A 66 8.952 0.007 0.154 1.00 0.00 N ATOM 0 H LYS A 66 5.379 -0.946 5.708 1.00 0.00 H new ATOM 0 HA LYS A 66 7.136 1.287 6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.098 0.585 4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.296 -0.904 4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.438 -0.437 3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.077 1.154 2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.785 -1.288 2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.530 -0.862 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.514 1.404 0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.754 1.005 2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.565 0.748 -0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.540 -0.758 0.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.339 -0.372 -0.596 1.00 0.00 H new ATOM 1088 N ILE A 67 4.276 1.748 4.655 1.00 0.00 N ATOM 1089 CA ILE A 67 3.371 2.755 4.113 1.00 0.00 C ATOM 1090 C ILE A 67 2.699 3.548 5.228 1.00 0.00 C ATOM 1091 O ILE A 67 2.885 4.759 5.342 1.00 0.00 O ATOM 1092 CB ILE A 67 2.286 2.117 3.226 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.925 1.410 2.029 1.00 0.00 C ATOM 1094 CG2 ILE A 67 1.297 3.173 2.757 1.00 0.00 C ATOM 1095 CD1 ILE A 67 2.198 0.151 1.611 1.00 0.00 C ATOM 0 H ILE A 67 3.835 0.851 4.861 1.00 0.00 H new ATOM 0 HA ILE A 67 3.976 3.429 3.506 1.00 0.00 H new ATOM 0 HB ILE A 67 1.745 1.376 3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.956 2.099 1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.957 1.159 2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.536 2.707 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.822 3.636 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.823 3.934 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.707 -0.297 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.189 -0.557 2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.173 0.398 1.334 1.00 0.00 H new ATOM 1107 N ARG A 68 1.918 2.855 6.051 1.00 0.00 N ATOM 1108 CA ARG A 68 1.218 3.495 7.159 1.00 0.00 C ATOM 1109 C ARG A 68 2.115 4.516 7.852 1.00 0.00 C ATOM 1110 O ARG A 68 1.794 5.703 7.907 1.00 0.00 O ATOM 1111 CB ARG A 68 0.749 2.445 8.167 1.00 0.00 C ATOM 1112 CG ARG A 68 -0.454 2.883 8.988 1.00 0.00 C ATOM 1113 CD ARG A 68 -0.560 2.095 10.284 1.00 0.00 C ATOM 1114 NE ARG A 68 0.397 2.558 11.286 1.00 0.00 N ATOM 1115 CZ ARG A 68 0.744 1.848 12.353 1.00 0.00 C ATOM 1116 NH1 ARG A 68 0.216 0.649 12.557 1.00 0.00 N ATOM 1117 NH2 ARG A 68 1.622 2.337 13.220 1.00 0.00 N ATOM 0 H ARG A 68 1.754 1.851 5.972 1.00 0.00 H new ATOM 0 HA ARG A 68 0.349 4.015 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.500 1.528 7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.572 2.208 8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.375 3.947 9.213 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.364 2.748 8.403 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.571 2.184 10.681 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.389 1.038 10.081 1.00 0.00 H new ATOM 0 HE ARG A 68 0.822 3.477 11.159 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.459 0.269 11.893 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.485 0.106 13.378 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.031 3.259 13.067 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.888 1.791 14.039 1.00 0.00 H new ATOM 1131 N SER A 69 3.241 4.046 8.379 1.00 0.00 N ATOM 1132 CA SER A 69 4.182 4.917 9.072 1.00 0.00 C ATOM 1133 C SER A 69 4.525 6.135 8.219 1.00 0.00 C ATOM 1134 O SER A 69 4.517 7.268 8.701 1.00 0.00 O ATOM 1135 CB SER A 69 5.459 4.149 9.421 1.00 0.00 C ATOM 1136 OG SER A 69 6.481 5.029 9.855 1.00 0.00 O ATOM 0 H SER A 69 3.524 3.067 8.339 1.00 0.00 H new ATOM 0 HA SER A 69 3.710 5.261 9.992 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.246 3.420 10.203 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.801 3.591 8.549 1.00 0.00 H new ATOM 0 HG SER A 69 7.286 4.514 10.073 1.00 0.00 H new ATOM 1142 N HIS A 70 4.827 5.892 6.947 1.00 0.00 N ATOM 1143 CA HIS A 70 5.172 6.968 6.025 1.00 0.00 C ATOM 1144 C HIS A 70 4.025 7.966 5.900 1.00 0.00 C ATOM 1145 O HIS A 70 4.243 9.177 5.880 1.00 0.00 O ATOM 1146 CB HIS A 70 5.519 6.397 4.649 1.00 0.00 C ATOM 1147 CG HIS A 70 6.942 5.945 4.530 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.590 5.811 3.320 1.00 0.00 N ATOM 1149 CD2 HIS A 70 7.843 5.597 5.479 1.00 0.00 C ATOM 1150 CE1 HIS A 70 8.827 5.398 3.530 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.006 5.261 4.831 1.00 0.00 N ATOM 0 H HIS A 70 4.840 4.960 6.532 1.00 0.00 H new ATOM 0 HA HIS A 70 6.042 7.490 6.424 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.860 5.555 4.437 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.322 7.154 3.890 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.678 5.586 6.546 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.567 5.205 2.767 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.868 4.955 5.282 1.00 0.00 H new ATOM 1160 N MET A 71 2.804 7.449 5.815 1.00 0.00 N ATOM 1161 CA MET A 71 1.622 8.295 5.692 1.00 0.00 C ATOM 1162 C MET A 71 1.615 9.377 6.767 1.00 0.00 C ATOM 1163 O MET A 71 1.726 10.565 6.466 1.00 0.00 O ATOM 1164 CB MET A 71 0.351 7.451 5.793 1.00 0.00 C ATOM 1165 CG MET A 71 0.176 6.475 4.641 1.00 0.00 C ATOM 1166 SD MET A 71 -1.523 5.894 4.474 1.00 0.00 S ATOM 1167 CE MET A 71 -1.778 5.132 6.075 1.00 0.00 C ATOM 0 H MET A 71 2.607 6.448 5.829 1.00 0.00 H new ATOM 0 HA MET A 71 1.651 8.778 4.715 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.368 6.895 6.730 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.513 8.114 5.831 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.484 6.956 3.713 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.835 5.620 4.791 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.839 5.158 6.325 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.438 4.097 6.044 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.213 5.677 6.831 1.00 0.00 H new ATOM 1177 N MET A 72 1.483 8.958 8.021 1.00 0.00 N ATOM 1178 CA MET A 72 1.462 9.893 9.141 1.00 0.00 C ATOM 1179 C MET A 72 2.795 10.624 9.263 1.00 0.00 C ATOM 1180 O MET A 72 2.938 11.541 10.072 1.00 0.00 O ATOM 1181 CB MET A 72 1.150 9.154 10.444 1.00 0.00 C ATOM 1182 CG MET A 72 0.044 8.121 10.307 1.00 0.00 C ATOM 1183 SD MET A 72 -1.470 8.813 9.614 1.00 0.00 S ATOM 1184 CE MET A 72 -2.470 8.986 11.090 1.00 0.00 C ATOM 0 H MET A 72 1.389 7.978 8.288 1.00 0.00 H new ATOM 0 HA MET A 72 0.680 10.629 8.954 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.055 8.660 10.798 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.865 9.881 11.205 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.390 7.306 9.672 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.172 7.693 11.286 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.441 9.404 10.825 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.609 8.009 11.552 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.969 9.651 11.793 1.00 0.00 H new ATOM 1194 N ALA A 73 3.767 10.212 8.456 1.00 0.00 N ATOM 1195 CA ALA A 73 5.087 10.830 8.474 1.00 0.00 C ATOM 1196 C ALA A 73 5.239 11.833 7.336 1.00 0.00 C ATOM 1197 O ALA A 73 6.324 12.367 7.107 1.00 0.00 O ATOM 1198 CB ALA A 73 6.170 9.764 8.388 1.00 0.00 C ATOM 0 H ALA A 73 3.665 9.453 7.782 1.00 0.00 H new ATOM 0 HA ALA A 73 5.196 11.369 9.415 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.151 10.240 8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.083 9.087 9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.053 9.201 7.462 1.00 0.00 H new ATOM 1204 N ASN A 74 4.145 12.085 6.625 1.00 0.00 N ATOM 1205 CA ASN A 74 4.157 13.024 5.509 1.00 0.00 C ATOM 1206 C ASN A 74 5.332 12.744 4.576 1.00 0.00 C ATOM 1207 O ASN A 74 6.027 13.663 4.143 1.00 0.00 O ATOM 1208 CB ASN A 74 4.233 14.462 6.026 1.00 0.00 C ATOM 1209 CG ASN A 74 3.056 14.820 6.912 1.00 0.00 C ATOM 1210 OD1 ASN A 74 1.910 14.494 6.602 1.00 0.00 O ATOM 1211 ND2 ASN A 74 3.334 15.495 8.021 1.00 0.00 N ATOM 0 H ASN A 74 3.239 11.652 6.802 1.00 0.00 H new ATOM 0 HA ASN A 74 3.231 12.896 4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.159 14.596 6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.269 15.148 5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.583 15.764 8.656 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.299 15.744 8.238 1.00 0.00 H new ATOM 1218 N LYS A 75 5.547 11.469 4.270 1.00 0.00 N ATOM 1219 CA LYS A 75 6.636 11.067 3.387 1.00 0.00 C ATOM 1220 C LYS A 75 6.160 10.984 1.941 1.00 0.00 C ATOM 1221 O LYS A 75 6.883 11.357 1.017 1.00 0.00 O ATOM 1222 CB LYS A 75 7.204 9.716 3.827 1.00 0.00 C ATOM 1223 CG LYS A 75 7.741 9.715 5.248 1.00 0.00 C ATOM 1224 CD LYS A 75 8.852 8.694 5.424 1.00 0.00 C ATOM 1225 CE LYS A 75 10.209 9.279 5.063 1.00 0.00 C ATOM 1226 NZ LYS A 75 10.442 9.273 3.592 1.00 0.00 N ATOM 0 H LYS A 75 4.981 10.696 4.621 1.00 0.00 H new ATOM 0 HA LYS A 75 7.420 11.822 3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.425 8.959 3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.004 9.428 3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.115 10.708 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.931 9.496 5.944 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.868 8.346 6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.651 7.825 4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.275 10.301 5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.994 8.707 5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.464 9.316 3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.050 8.401 3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.976 10.098 3.163 1.00 0.00 H new ATOM 1240 N TYR A 76 4.940 10.493 1.751 1.00 0.00 N ATOM 1241 CA TYR A 76 4.369 10.360 0.416 1.00 0.00 C ATOM 1242 C TYR A 76 4.309 11.712 -0.288 1.00 0.00 C ATOM 1243 O TYR A 76 4.560 12.752 0.320 1.00 0.00 O ATOM 1244 CB TYR A 76 2.967 9.753 0.497 1.00 0.00 C ATOM 1245 CG TYR A 76 2.036 10.500 1.424 1.00 0.00 C ATOM 1246 CD1 TYR A 76 1.712 11.831 1.191 1.00 0.00 C ATOM 1247 CD2 TYR A 76 1.478 9.875 2.533 1.00 0.00 C ATOM 1248 CE1 TYR A 76 0.862 12.518 2.036 1.00 0.00 C ATOM 1249 CE2 TYR A 76 0.626 10.553 3.382 1.00 0.00 C ATOM 1250 CZ TYR A 76 0.321 11.875 3.130 1.00 0.00 C ATOM 1251 OH TYR A 76 -0.527 12.555 3.973 1.00 0.00 O ATOM 0 H TYR A 76 4.328 10.181 2.505 1.00 0.00 H new ATOM 0 HA TYR A 76 5.013 9.697 -0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.531 9.732 -0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.047 8.719 0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.132 12.337 0.334 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.715 8.841 2.734 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.622 13.553 1.841 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.201 10.051 4.239 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.010 13.242 3.467 1.00 0.00 H new ATOM 1261 N GLN A 77 3.975 11.688 -1.574 1.00 0.00 N ATOM 1262 CA GLN A 77 3.882 12.911 -2.362 1.00 0.00 C ATOM 1263 C GLN A 77 2.473 13.097 -2.916 1.00 0.00 C ATOM 1264 O GLN A 77 2.063 14.213 -3.235 1.00 0.00 O ATOM 1265 CB GLN A 77 4.893 12.882 -3.509 1.00 0.00 C ATOM 1266 CG GLN A 77 6.340 12.956 -3.047 1.00 0.00 C ATOM 1267 CD GLN A 77 6.716 14.329 -2.525 1.00 0.00 C ATOM 1268 OE1 GLN A 77 6.131 15.338 -2.920 1.00 0.00 O ATOM 1269 NE2 GLN A 77 7.696 14.374 -1.630 1.00 0.00 N ATOM 0 H GLN A 77 3.764 10.835 -2.092 1.00 0.00 H new ATOM 0 HA GLN A 77 4.109 13.752 -1.707 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.750 11.968 -4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.692 13.716 -4.181 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.506 12.216 -2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.996 12.695 -3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.153 13.513 -1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.991 15.270 -1.242 1.00 0.00 H new ATOM 1278 N ASP A 78 1.737 11.996 -3.027 1.00 0.00 N ATOM 1279 CA ASP A 78 0.373 12.038 -3.542 1.00 0.00 C ATOM 1280 C ASP A 78 -0.285 10.664 -3.449 1.00 0.00 C ATOM 1281 O ASP A 78 0.394 9.651 -3.281 1.00 0.00 O ATOM 1282 CB ASP A 78 0.367 12.523 -4.992 1.00 0.00 C ATOM 1283 CG ASP A 78 1.454 11.872 -5.825 1.00 0.00 C ATOM 1284 OD1 ASP A 78 1.693 10.660 -5.644 1.00 0.00 O ATOM 1285 OD2 ASP A 78 2.066 12.575 -6.657 1.00 0.00 O ATOM 0 H ASP A 78 2.062 11.065 -2.768 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.198 12.737 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.605 12.312 -5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.498 13.605 -5.011 1.00 0.00 H new ATOM 1290 N ILE A 79 -1.609 10.640 -3.557 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.358 9.391 -3.485 1.00 0.00 C ATOM 1292 C ILE A 79 -1.649 8.280 -4.253 1.00 0.00 C ATOM 1293 O ILE A 79 -1.330 7.231 -3.693 1.00 0.00 O ATOM 1294 CB ILE A 79 -3.783 9.557 -4.043 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -4.655 10.332 -3.053 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.395 8.197 -4.345 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.171 9.485 -1.910 1.00 0.00 C ATOM 0 H ILE A 79 -2.185 11.470 -3.695 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.419 9.119 -2.431 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.730 10.124 -4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.079 11.163 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.502 10.762 -3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.403 8.331 -4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.783 7.678 -5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.439 7.606 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.781 10.100 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.775 8.668 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.329 9.076 -1.351 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.405 8.519 -5.537 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.731 7.540 -6.381 1.00 0.00 C ATOM 1311 C ASP A 80 0.455 6.917 -5.652 1.00 0.00 C ATOM 1312 O ASP A 80 0.759 5.738 -5.834 1.00 0.00 O ATOM 1313 CB ASP A 80 -0.260 8.194 -7.681 1.00 0.00 C ATOM 1314 CG ASP A 80 0.046 7.177 -8.763 1.00 0.00 C ATOM 1315 OD1 ASP A 80 -0.838 6.349 -9.068 1.00 0.00 O ATOM 1316 OD2 ASP A 80 1.170 7.210 -9.307 1.00 0.00 O ATOM 0 H ASP A 80 -1.664 9.382 -6.016 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.444 6.750 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.028 8.880 -8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.632 8.789 -7.483 1.00 0.00 H new ATOM 1321 N SER A 81 1.122 7.718 -4.826 1.00 0.00 N ATOM 1322 CA SER A 81 2.278 7.247 -4.073 1.00 0.00 C ATOM 1323 C SER A 81 1.920 6.022 -3.237 1.00 0.00 C ATOM 1324 O SER A 81 2.657 5.037 -3.211 1.00 0.00 O ATOM 1325 CB SER A 81 2.810 8.359 -3.167 1.00 0.00 C ATOM 1326 OG SER A 81 4.178 8.155 -2.859 1.00 0.00 O ATOM 0 H SER A 81 0.881 8.696 -4.662 1.00 0.00 H new ATOM 0 HA SER A 81 3.054 6.965 -4.785 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.685 9.324 -3.658 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.228 8.392 -2.246 1.00 0.00 H new ATOM 0 HG SER A 81 4.495 8.880 -2.280 1.00 0.00 H new ATOM 1332 N MET A 82 0.781 6.092 -2.555 1.00 0.00 N ATOM 1333 CA MET A 82 0.323 4.989 -1.718 1.00 0.00 C ATOM 1334 C MET A 82 -0.048 3.779 -2.569 1.00 0.00 C ATOM 1335 O MET A 82 0.354 2.653 -2.275 1.00 0.00 O ATOM 1336 CB MET A 82 -0.878 5.423 -0.876 1.00 0.00 C ATOM 1337 CG MET A 82 -1.030 4.639 0.417 1.00 0.00 C ATOM 1338 SD MET A 82 -2.430 5.196 1.407 1.00 0.00 S ATOM 1339 CE MET A 82 -3.786 4.391 0.558 1.00 0.00 C ATOM 0 H MET A 82 0.159 6.900 -2.566 1.00 0.00 H new ATOM 0 HA MET A 82 1.140 4.707 -1.053 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.781 6.483 -0.639 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.786 5.310 -1.468 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.153 3.581 0.184 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.116 4.732 1.003 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.732 4.736 0.974 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.746 4.634 -0.504 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.706 3.312 0.686 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.819 4.018 -3.626 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.244 2.948 -4.520 1.00 0.00 C ATOM 1351 C VAL A 83 -0.052 2.132 -5.007 1.00 0.00 C ATOM 1352 O VAL A 83 0.014 0.923 -4.790 1.00 0.00 O ATOM 1353 CB VAL A 83 -2.004 3.504 -5.739 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.342 2.386 -6.713 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.262 4.235 -5.295 1.00 0.00 C ATOM 0 H VAL A 83 -1.162 4.944 -3.884 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.911 2.304 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.360 4.218 -6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.879 2.798 -7.568 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.422 1.912 -7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.968 1.646 -6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.786 4.621 -6.169 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.913 3.546 -4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.990 5.063 -4.640 1.00 0.00 H new ATOM 1365 N GLU A 84 0.889 2.803 -5.664 1.00 0.00 N ATOM 1366 CA GLU A 84 2.079 2.139 -6.182 1.00 0.00 C ATOM 1367 C GLU A 84 2.616 1.124 -5.177 1.00 0.00 C ATOM 1368 O GLU A 84 2.843 -0.038 -5.513 1.00 0.00 O ATOM 1369 CB GLU A 84 3.162 3.169 -6.512 1.00 0.00 C ATOM 1370 CG GLU A 84 2.976 3.836 -7.864 1.00 0.00 C ATOM 1371 CD GLU A 84 2.831 2.835 -8.994 1.00 0.00 C ATOM 1372 OE1 GLU A 84 3.725 1.977 -9.145 1.00 0.00 O ATOM 1373 OE2 GLU A 84 1.823 2.911 -9.727 1.00 0.00 O ATOM 0 H GLU A 84 0.850 3.805 -5.850 1.00 0.00 H new ATOM 0 HA GLU A 84 1.801 1.610 -7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.171 3.935 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.136 2.680 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.092 4.473 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.829 4.484 -8.065 1.00 0.00 H new ATOM 1380 N ASP A 85 2.818 1.572 -3.943 1.00 0.00 N ATOM 1381 CA ASP A 85 3.327 0.704 -2.888 1.00 0.00 C ATOM 1382 C ASP A 85 2.475 -0.554 -2.760 1.00 0.00 C ATOM 1383 O ASP A 85 2.935 -1.660 -3.045 1.00 0.00 O ATOM 1384 CB ASP A 85 3.359 1.451 -1.554 1.00 0.00 C ATOM 1385 CG ASP A 85 4.425 2.529 -1.519 1.00 0.00 C ATOM 1386 OD1 ASP A 85 5.421 2.403 -2.261 1.00 0.00 O ATOM 1387 OD2 ASP A 85 4.262 3.500 -0.750 1.00 0.00 O ATOM 0 H ASP A 85 2.637 2.532 -3.649 1.00 0.00 H new ATOM 0 HA ASP A 85 4.342 0.408 -3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.384 1.902 -1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.538 0.740 -0.747 1.00 0.00 H new ATOM 1392 N PHE A 86 1.230 -0.378 -2.328 1.00 0.00 N ATOM 1393 CA PHE A 86 0.313 -1.500 -2.160 1.00 0.00 C ATOM 1394 C PHE A 86 0.535 -2.550 -3.244 1.00 0.00 C ATOM 1395 O PHE A 86 0.763 -3.724 -2.950 1.00 0.00 O ATOM 1396 CB PHE A 86 -1.136 -1.011 -2.196 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.676 -0.636 -0.845 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -2.260 -1.591 -0.029 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -1.600 0.671 -0.392 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -2.758 -1.250 1.215 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.095 1.018 0.850 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.676 0.057 1.654 1.00 0.00 C ATOM 0 H PHE A 86 0.833 0.531 -2.088 1.00 0.00 H new ATOM 0 HA PHE A 86 0.511 -1.957 -1.190 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.203 -0.148 -2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.764 -1.792 -2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.327 -2.614 -0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.149 1.427 -1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.210 -2.004 1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.028 2.040 1.192 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.066 0.327 2.624 1.00 0.00 H new ATOM 1412 N VAL A 87 0.465 -2.120 -4.500 1.00 0.00 N ATOM 1413 CA VAL A 87 0.658 -3.022 -5.629 1.00 0.00 C ATOM 1414 C VAL A 87 1.799 -3.997 -5.365 1.00 0.00 C ATOM 1415 O VAL A 87 1.618 -5.212 -5.426 1.00 0.00 O ATOM 1416 CB VAL A 87 0.951 -2.243 -6.926 1.00 0.00 C ATOM 1417 CG1 VAL A 87 1.559 -3.162 -7.974 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.316 -1.586 -7.450 1.00 0.00 C ATOM 0 H VAL A 87 0.276 -1.152 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.271 -3.580 -5.751 1.00 0.00 H new ATOM 0 HB VAL A 87 1.674 -1.458 -6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.759 -2.595 -8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.491 -3.580 -7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.863 -3.971 -8.197 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.091 -1.040 -8.366 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.063 -2.352 -7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.703 -0.895 -6.702 1.00 0.00 H new ATOM 1428 N MET A 88 2.977 -3.455 -5.071 1.00 0.00 N ATOM 1429 CA MET A 88 4.149 -4.278 -4.795 1.00 0.00 C ATOM 1430 C MET A 88 3.801 -5.419 -3.846 1.00 0.00 C ATOM 1431 O MET A 88 4.326 -6.525 -3.971 1.00 0.00 O ATOM 1432 CB MET A 88 5.268 -3.424 -4.197 1.00 0.00 C ATOM 1433 CG MET A 88 5.953 -2.521 -5.210 1.00 0.00 C ATOM 1434 SD MET A 88 6.592 -1.006 -4.471 1.00 0.00 S ATOM 1435 CE MET A 88 7.837 -1.668 -3.366 1.00 0.00 C ATOM 0 H MET A 88 3.145 -2.450 -5.018 1.00 0.00 H new ATOM 0 HA MET A 88 4.492 -4.706 -5.737 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.856 -2.810 -3.396 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.012 -4.080 -3.746 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.772 -3.065 -5.680 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.246 -2.265 -5.999 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.299 -0.853 -2.808 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.372 -2.366 -2.670 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.599 -2.188 -3.946 1.00 0.00 H new ATOM 1445 N MET A 89 2.913 -5.143 -2.896 1.00 0.00 N ATOM 1446 CA MET A 89 2.494 -6.148 -1.926 1.00 0.00 C ATOM 1447 C MET A 89 1.915 -7.373 -2.627 1.00 0.00 C ATOM 1448 O MET A 89 2.459 -8.473 -2.527 1.00 0.00 O ATOM 1449 CB MET A 89 1.460 -5.560 -0.964 1.00 0.00 C ATOM 1450 CG MET A 89 1.419 -6.258 0.386 1.00 0.00 C ATOM 1451 SD MET A 89 0.773 -5.200 1.695 1.00 0.00 S ATOM 1452 CE MET A 89 -0.901 -4.932 1.118 1.00 0.00 C ATOM 0 H MET A 89 2.470 -4.232 -2.777 1.00 0.00 H new ATOM 0 HA MET A 89 3.372 -6.457 -1.359 1.00 0.00 H new ATOM 0 HB2 MET A 89 1.678 -4.503 -0.811 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.474 -5.618 -1.424 1.00 0.00 H new ATOM 0 HG2 MET A 89 0.801 -7.153 0.309 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.424 -6.586 0.652 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.463 -4.383 1.874 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.879 -4.356 0.193 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.381 -5.893 0.936 1.00 0.00 H new ATOM 1462 N PHE A 90 0.809 -7.175 -3.337 1.00 0.00 N ATOM 1463 CA PHE A 90 0.156 -8.264 -4.054 1.00 0.00 C ATOM 1464 C PHE A 90 1.123 -8.931 -5.028 1.00 0.00 C ATOM 1465 O PHE A 90 1.457 -10.106 -4.881 1.00 0.00 O ATOM 1466 CB PHE A 90 -1.069 -7.744 -4.809 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.859 -6.724 -4.039 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -2.391 -7.034 -2.798 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -2.069 -5.456 -4.557 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -3.119 -6.098 -2.088 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.796 -4.516 -3.852 1.00 0.00 C ATOM 1472 CZ PHE A 90 -3.320 -4.837 -2.615 1.00 0.00 C ATOM 0 H PHE A 90 0.346 -6.271 -3.431 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.165 -9.006 -3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.745 -7.304 -5.752 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.718 -8.584 -5.055 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.235 -8.018 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.660 -5.200 -5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.530 -6.352 -1.122 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.954 -3.532 -4.268 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.886 -4.103 -2.061 1.00 0.00 H new ATOM 1482 N ASN A 91 1.568 -8.171 -6.024 1.00 0.00 N ATOM 1483 CA ASN A 91 2.496 -8.688 -7.023 1.00 0.00 C ATOM 1484 C ASN A 91 3.588 -9.528 -6.369 1.00 0.00 C ATOM 1485 O ASN A 91 3.783 -10.692 -6.718 1.00 0.00 O ATOM 1486 CB ASN A 91 3.125 -7.536 -7.810 1.00 0.00 C ATOM 1487 CG ASN A 91 2.171 -6.942 -8.828 1.00 0.00 C ATOM 1488 OD1 ASN A 91 1.232 -7.602 -9.274 1.00 0.00 O ATOM 1489 ND2 ASN A 91 2.408 -5.689 -9.200 1.00 0.00 N ATOM 0 H ASN A 91 1.301 -7.196 -6.160 1.00 0.00 H new ATOM 0 HA ASN A 91 1.935 -9.324 -7.708 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.443 -6.757 -7.117 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.019 -7.894 -8.320 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.800 -5.236 -9.882 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.198 -5.180 -8.804 1.00 0.00 H new ATOM 1496 N ASN A 92 4.298 -8.929 -5.419 1.00 0.00 N ATOM 1497 CA ASN A 92 5.372 -9.622 -4.715 1.00 0.00 C ATOM 1498 C ASN A 92 4.858 -10.903 -4.065 1.00 0.00 C ATOM 1499 O ASN A 92 5.511 -11.944 -4.119 1.00 0.00 O ATOM 1500 CB ASN A 92 5.987 -8.708 -3.653 1.00 0.00 C ATOM 1501 CG ASN A 92 6.749 -7.547 -4.261 1.00 0.00 C ATOM 1502 OD1 ASN A 92 7.036 -7.537 -5.458 1.00 0.00 O ATOM 1503 ND2 ASN A 92 7.081 -6.561 -3.435 1.00 0.00 N ATOM 0 H ASN A 92 4.150 -7.966 -5.119 1.00 0.00 H new ATOM 0 HA ASN A 92 6.138 -9.888 -5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.197 -8.323 -3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.659 -9.290 -3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.595 -5.753 -3.786 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.822 -6.612 -2.450 1.00 0.00 H new ATOM 1510 N ALA A 93 3.682 -10.817 -3.450 1.00 0.00 N ATOM 1511 CA ALA A 93 3.079 -11.969 -2.791 1.00 0.00 C ATOM 1512 C ALA A 93 2.873 -13.117 -3.773 1.00 0.00 C ATOM 1513 O ALA A 93 3.179 -14.271 -3.468 1.00 0.00 O ATOM 1514 CB ALA A 93 1.756 -11.577 -2.150 1.00 0.00 C ATOM 0 H ALA A 93 3.129 -9.962 -3.395 1.00 0.00 H new ATOM 0 HA ALA A 93 3.761 -12.309 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.317 -12.447 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.927 -10.794 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.075 -11.209 -2.917 1.00 0.00 H new ATOM 1520 N CYS A 94 2.353 -12.795 -4.952 1.00 0.00 N ATOM 1521 CA CYS A 94 2.104 -13.801 -5.979 1.00 0.00 C ATOM 1522 C CYS A 94 3.349 -14.026 -6.832 1.00 0.00 C ATOM 1523 O CYS A 94 3.256 -14.238 -8.042 1.00 0.00 O ATOM 1524 CB CYS A 94 0.933 -13.376 -6.866 1.00 0.00 C ATOM 1525 SG CYS A 94 1.358 -12.125 -8.101 1.00 0.00 S ATOM 0 H CYS A 94 2.096 -11.845 -5.221 1.00 0.00 H new ATOM 0 HA CYS A 94 1.852 -14.738 -5.482 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.540 -14.255 -7.376 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.134 -12.990 -6.234 1.00 0.00 H new ATOM 0 HG CYS A 94 2.380 -11.437 -7.687 1.00 0.00 H new ATOM 1531 N THR A 95 4.514 -13.976 -6.194 1.00 0.00 N ATOM 1532 CA THR A 95 5.777 -14.171 -6.895 1.00 0.00 C ATOM 1533 C THR A 95 6.249 -15.616 -6.785 1.00 0.00 C ATOM 1534 O THR A 95 6.367 -16.319 -7.789 1.00 0.00 O ATOM 1535 CB THR A 95 6.875 -13.241 -6.343 1.00 0.00 C ATOM 1536 OG1 THR A 95 6.507 -11.873 -6.550 1.00 0.00 O ATOM 1537 CG2 THR A 95 8.210 -13.521 -7.017 1.00 0.00 C ATOM 0 H THR A 95 4.609 -13.802 -5.193 1.00 0.00 H new ATOM 0 HA THR A 95 5.598 -13.929 -7.943 1.00 0.00 H new ATOM 0 HB THR A 95 6.979 -13.431 -5.275 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.531 -11.790 -6.528 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.970 -12.853 -6.611 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.501 -14.555 -6.833 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.117 -13.356 -8.090 1.00 0.00 H new ATOM 1545 N TYR A 96 6.517 -16.055 -5.560 1.00 0.00 N ATOM 1546 CA TYR A 96 6.978 -17.417 -5.319 1.00 0.00 C ATOM 1547 C TYR A 96 5.908 -18.235 -4.603 1.00 0.00 C ATOM 1548 O TYR A 96 6.213 -19.209 -3.915 1.00 0.00 O ATOM 1549 CB TYR A 96 8.265 -17.404 -4.493 1.00 0.00 C ATOM 1550 CG TYR A 96 8.065 -16.935 -3.069 1.00 0.00 C ATOM 1551 CD1 TYR A 96 7.815 -15.598 -2.786 1.00 0.00 C ATOM 1552 CD2 TYR A 96 8.128 -17.829 -2.007 1.00 0.00 C ATOM 1553 CE1 TYR A 96 7.633 -15.165 -1.486 1.00 0.00 C ATOM 1554 CE2 TYR A 96 7.945 -17.406 -0.705 1.00 0.00 C ATOM 1555 CZ TYR A 96 7.698 -16.073 -0.450 1.00 0.00 C ATOM 1556 OH TYR A 96 7.517 -15.647 0.846 1.00 0.00 O ATOM 0 H TYR A 96 6.423 -15.487 -4.718 1.00 0.00 H new ATOM 0 HA TYR A 96 7.179 -17.882 -6.284 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.689 -18.408 -4.480 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.994 -16.757 -4.981 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.762 -14.885 -3.595 1.00 0.00 H new ATOM 0 HD2 TYR A 96 8.323 -18.873 -2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.441 -14.122 -1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.995 -18.115 0.109 1.00 0.00 H new ATOM 0 HH TYR A 96 7.593 -16.411 1.455 1.00 0.00 H new ATOM 1566 N ASN A 97 4.653 -17.832 -4.771 1.00 0.00 N ATOM 1567 CA ASN A 97 3.536 -18.527 -4.141 1.00 0.00 C ATOM 1568 C ASN A 97 2.632 -19.167 -5.190 1.00 0.00 C ATOM 1569 O ASN A 97 2.396 -18.593 -6.252 1.00 0.00 O ATOM 1570 CB ASN A 97 2.727 -17.558 -3.276 1.00 0.00 C ATOM 1571 CG ASN A 97 3.284 -17.433 -1.871 1.00 0.00 C ATOM 1572 OD1 ASN A 97 3.470 -18.431 -1.174 1.00 0.00 O ATOM 1573 ND2 ASN A 97 3.553 -16.204 -1.449 1.00 0.00 N ATOM 0 H ASN A 97 4.384 -17.028 -5.338 1.00 0.00 H new ATOM 0 HA ASN A 97 3.942 -19.316 -3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.717 -16.576 -3.748 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.693 -17.898 -3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.930 -16.057 -0.513 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.383 -15.406 -2.061 1.00 0.00 H new ATOM 1580 N GLU A 98 2.128 -20.358 -4.882 1.00 0.00 N ATOM 1581 CA GLU A 98 1.250 -21.075 -5.799 1.00 0.00 C ATOM 1582 C GLU A 98 -0.065 -20.325 -5.992 1.00 0.00 C ATOM 1583 O GLU A 98 -0.556 -19.642 -5.094 1.00 0.00 O ATOM 1584 CB GLU A 98 0.973 -22.486 -5.276 1.00 0.00 C ATOM 1585 CG GLU A 98 0.253 -22.509 -3.939 1.00 0.00 C ATOM 1586 CD GLU A 98 -0.075 -23.915 -3.476 1.00 0.00 C ATOM 1587 OE1 GLU A 98 -0.993 -24.532 -4.057 1.00 0.00 O ATOM 1588 OE2 GLU A 98 0.586 -24.400 -2.534 1.00 0.00 O ATOM 0 H GLU A 98 2.312 -20.846 -4.006 1.00 0.00 H new ATOM 0 HA GLU A 98 1.753 -21.145 -6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.375 -23.026 -6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.918 -23.021 -5.179 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.873 -22.019 -3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.669 -21.932 -4.017 1.00 0.00 H new ATOM 1595 N PRO A 99 -0.648 -20.453 -7.193 1.00 0.00 N ATOM 1596 CA PRO A 99 -1.913 -19.795 -7.533 1.00 0.00 C ATOM 1597 C PRO A 99 -3.098 -20.395 -6.784 1.00 0.00 C ATOM 1598 O PRO A 99 -4.179 -19.807 -6.743 1.00 0.00 O ATOM 1599 CB PRO A 99 -2.049 -20.044 -9.037 1.00 0.00 C ATOM 1600 CG PRO A 99 -1.260 -21.282 -9.289 1.00 0.00 C ATOM 1601 CD PRO A 99 -0.118 -21.251 -8.311 1.00 0.00 C ATOM 0 HA PRO A 99 -1.910 -18.740 -7.260 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.092 -20.174 -9.324 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -1.662 -19.204 -9.614 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -1.873 -22.172 -9.145 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -0.894 -21.310 -10.315 1.00 0.00 H new ATOM 0 HD2 PRO A 99 0.164 -22.254 -7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.771 -20.793 -8.745 1.00 0.00 H new ATOM 1609 N GLU A 100 -2.888 -21.567 -6.194 1.00 0.00 N ATOM 1610 CA GLU A 100 -3.940 -22.245 -5.447 1.00 0.00 C ATOM 1611 C GLU A 100 -3.765 -22.034 -3.946 1.00 0.00 C ATOM 1612 O GLU A 100 -3.988 -22.946 -3.149 1.00 0.00 O ATOM 1613 CB GLU A 100 -3.939 -23.742 -5.766 1.00 0.00 C ATOM 1614 CG GLU A 100 -5.266 -24.426 -5.482 1.00 0.00 C ATOM 1615 CD GLU A 100 -6.382 -23.929 -6.380 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -6.220 -23.988 -7.617 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -7.418 -23.481 -5.846 1.00 0.00 O ATOM 0 H GLU A 100 -1.999 -22.067 -6.219 1.00 0.00 H new ATOM 0 HA GLU A 100 -4.896 -21.817 -5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.686 -23.881 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.157 -24.229 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -5.151 -25.502 -5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.541 -24.259 -4.441 1.00 0.00 H new ATOM 1624 N SER A 101 -3.363 -20.825 -3.568 1.00 0.00 N ATOM 1625 CA SER A 101 -3.153 -20.494 -2.163 1.00 0.00 C ATOM 1626 C SER A 101 -4.038 -19.325 -1.742 1.00 0.00 C ATOM 1627 O SER A 101 -4.340 -18.440 -2.543 1.00 0.00 O ATOM 1628 CB SER A 101 -1.683 -20.151 -1.912 1.00 0.00 C ATOM 1629 OG SER A 101 -1.469 -19.778 -0.562 1.00 0.00 O ATOM 0 H SER A 101 -3.176 -20.058 -4.214 1.00 0.00 H new ATOM 0 HA SER A 101 -3.423 -21.365 -1.566 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.059 -21.010 -2.158 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.379 -19.337 -2.570 1.00 0.00 H new ATOM 0 HG SER A 101 -0.511 -19.643 -0.408 1.00 0.00 H new ATOM 1635 N LEU A 102 -4.451 -19.329 -0.480 1.00 0.00 N ATOM 1636 CA LEU A 102 -5.302 -18.269 0.050 1.00 0.00 C ATOM 1637 C LEU A 102 -4.642 -16.904 -0.119 1.00 0.00 C ATOM 1638 O LEU A 102 -5.251 -15.970 -0.640 1.00 0.00 O ATOM 1639 CB LEU A 102 -5.606 -18.522 1.528 1.00 0.00 C ATOM 1640 CG LEU A 102 -6.357 -19.815 1.847 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -6.375 -20.067 3.347 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -7.775 -19.757 1.298 1.00 0.00 C ATOM 0 H LEU A 102 -4.211 -20.054 0.196 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.236 -18.272 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.664 -18.528 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.190 -17.683 1.907 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.835 -20.643 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.914 -20.992 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.352 -20.153 3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.872 -19.237 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.295 -20.685 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.306 -18.919 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.741 -19.625 0.217 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.394 -16.798 0.323 1.00 0.00 N ATOM 1655 CA ILE A 103 -2.650 -15.549 0.218 1.00 0.00 C ATOM 1656 C ILE A 103 -2.568 -15.079 -1.230 1.00 0.00 C ATOM 1657 O ILE A 103 -2.336 -13.900 -1.499 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.224 -15.694 0.781 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -0.555 -14.322 0.895 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.398 -16.620 -0.100 1.00 0.00 C ATOM 1661 CD1 ILE A 103 0.758 -14.351 1.644 1.00 0.00 C ATOM 0 H ILE A 103 -2.876 -17.562 0.757 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.191 -14.809 0.808 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.286 -16.132 1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.384 -13.926 -0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.236 -13.635 1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.607 -16.712 0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.867 -17.603 -0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.341 -16.209 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.175 -13.345 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.591 -14.717 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.456 -15.012 1.130 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.760 -16.008 -2.160 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.707 -15.689 -3.582 1.00 0.00 C ATOM 1675 C TYR A 104 -4.012 -15.049 -4.045 1.00 0.00 C ATOM 1676 O TYR A 104 -4.007 -14.078 -4.802 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.426 -16.951 -4.399 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.192 -16.682 -5.868 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -3.246 -16.350 -6.711 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -0.916 -16.758 -6.413 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -3.036 -16.104 -8.053 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -0.697 -16.512 -7.755 1.00 0.00 C ATOM 1683 CZ TYR A 104 -1.760 -16.186 -8.571 1.00 0.00 C ATOM 1684 OH TYR A 104 -1.547 -15.940 -9.908 1.00 0.00 O ATOM 0 H TYR A 104 -2.954 -16.988 -1.955 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.898 -14.976 -3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.551 -17.453 -3.986 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.267 -17.637 -4.293 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.246 -16.283 -6.309 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.081 -17.014 -5.777 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -3.867 -15.849 -8.694 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.301 -16.575 -8.163 1.00 0.00 H new ATOM 0 HH TYR A 104 -0.593 -16.038 -10.111 1.00 0.00 H new ATOM 1694 N LYS A 105 -5.130 -15.601 -3.586 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.444 -15.086 -3.950 1.00 0.00 C ATOM 1696 C LYS A 105 -6.740 -13.783 -3.214 1.00 0.00 C ATOM 1697 O LYS A 105 -7.324 -12.858 -3.780 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.526 -16.120 -3.632 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.680 -17.188 -4.702 1.00 0.00 C ATOM 1700 CD LYS A 105 -6.745 -18.360 -4.457 1.00 0.00 C ATOM 1701 CE LYS A 105 -7.287 -19.291 -3.383 1.00 0.00 C ATOM 1702 NZ LYS A 105 -6.527 -20.570 -3.322 1.00 0.00 N ATOM 0 H LYS A 105 -5.152 -16.406 -2.960 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.444 -14.887 -5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.290 -16.600 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.479 -15.608 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.711 -17.541 -4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.475 -16.756 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.605 -18.915 -5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.765 -17.988 -4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.240 -18.794 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.338 -19.502 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.167 -21.364 -3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.762 -20.553 -4.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.121 -20.687 -2.372 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.334 -13.716 -1.951 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.554 -12.525 -1.139 1.00 0.00 C ATOM 1718 C ASP A 106 -5.892 -11.305 -1.773 1.00 0.00 C ATOM 1719 O ASP A 106 -6.508 -10.247 -1.896 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.010 -12.738 0.275 1.00 0.00 C ATOM 1721 CG ASP A 106 -6.867 -13.690 1.087 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -8.108 -13.571 1.025 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -6.295 -14.554 1.784 1.00 0.00 O ATOM 0 H ASP A 106 -5.851 -14.473 -1.467 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.628 -12.346 -1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.994 -13.129 0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -5.953 -11.778 0.788 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.635 -11.462 -2.174 1.00 0.00 N ATOM 1729 CA ALA A 107 -3.890 -10.374 -2.796 1.00 0.00 C ATOM 1730 C ALA A 107 -4.674 -9.764 -3.953 1.00 0.00 C ATOM 1731 O ALA A 107 -4.831 -8.545 -4.036 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.535 -10.870 -3.277 1.00 0.00 C ATOM 0 H ALA A 107 -4.111 -12.332 -2.079 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.735 -9.597 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.990 -10.047 -3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.966 -11.252 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.677 -11.667 -4.007 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.164 -10.618 -4.845 1.00 0.00 N ATOM 1739 CA LEU A 108 -5.932 -10.162 -5.999 1.00 0.00 C ATOM 1740 C LEU A 108 -7.150 -9.357 -5.559 1.00 0.00 C ATOM 1741 O LEU A 108 -7.266 -8.170 -5.863 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.374 -11.357 -6.846 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.254 -12.175 -7.489 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -5.758 -13.556 -7.879 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -4.692 -11.448 -8.702 1.00 0.00 C ATOM 0 H LEU A 108 -5.043 -11.629 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.291 -9.516 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.968 -12.022 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.031 -10.993 -7.636 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.453 -12.296 -6.759 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.947 -14.124 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.112 -14.079 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.577 -13.457 -8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.896 -12.045 -9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.485 -11.296 -9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.292 -10.482 -8.394 1.00 0.00 H new ATOM 1757 N VAL A 109 -8.057 -10.011 -4.839 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.265 -9.355 -4.354 1.00 0.00 C ATOM 1759 C VAL A 109 -8.951 -7.979 -3.780 1.00 0.00 C ATOM 1760 O VAL A 109 -9.559 -6.979 -4.165 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.968 -10.201 -3.276 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.213 -9.491 -2.767 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.316 -11.578 -3.822 1.00 0.00 C ATOM 0 H VAL A 109 -7.978 -10.994 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.931 -9.244 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.284 -10.330 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.696 -10.104 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.933 -8.530 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.904 -9.329 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.812 -12.162 -3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.982 -11.472 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.404 -12.088 -4.132 1.00 0.00 H new ATOM 1773 N LEU A 110 -7.998 -7.933 -2.855 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.601 -6.678 -2.227 1.00 0.00 C ATOM 1775 C LEU A 110 -7.169 -5.657 -3.274 1.00 0.00 C ATOM 1776 O LEU A 110 -7.731 -4.564 -3.360 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.463 -6.920 -1.234 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.780 -7.850 -0.063 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.501 -8.440 0.512 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.557 -7.107 1.014 1.00 0.00 C ATOM 0 H LEU A 110 -7.486 -8.751 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.463 -6.279 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.614 -7.332 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.148 -5.957 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.400 -8.667 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.747 -9.099 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.983 -9.008 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.856 -7.635 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.774 -7.785 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.963 -6.269 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.492 -6.734 0.596 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.169 -6.021 -4.071 1.00 0.00 N ATOM 1793 CA HIS A 111 -5.664 -5.137 -5.115 1.00 0.00 C ATOM 1794 C HIS A 111 -6.807 -4.391 -5.796 1.00 0.00 C ATOM 1795 O HIS A 111 -6.805 -3.162 -5.868 1.00 0.00 O ATOM 1796 CB HIS A 111 -4.873 -5.937 -6.151 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.191 -5.083 -7.175 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -3.808 -5.553 -8.413 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -3.825 -3.780 -7.139 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.235 -4.577 -9.094 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.233 -3.490 -8.343 1.00 0.00 N ATOM 0 H HIS A 111 -5.693 -6.921 -4.014 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.003 -4.406 -4.649 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.125 -6.541 -5.637 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.548 -6.627 -6.657 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -3.946 -6.506 -8.750 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.972 -3.096 -6.316 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.836 -4.654 -10.095 1.00 0.00 H new ATOM 1810 N LYS A 112 -7.783 -5.142 -6.295 1.00 0.00 N ATOM 1811 CA LYS A 112 -8.933 -4.553 -6.970 1.00 0.00 C ATOM 1812 C LYS A 112 -9.664 -3.579 -6.050 1.00 0.00 C ATOM 1813 O LYS A 112 -10.042 -2.484 -6.465 1.00 0.00 O ATOM 1814 CB LYS A 112 -9.894 -5.649 -7.436 1.00 0.00 C ATOM 1815 CG LYS A 112 -9.518 -6.259 -8.775 1.00 0.00 C ATOM 1816 CD LYS A 112 -9.885 -5.340 -9.928 1.00 0.00 C ATOM 1817 CE LYS A 112 -11.308 -5.587 -10.406 1.00 0.00 C ATOM 1818 NZ LYS A 112 -12.305 -4.841 -9.588 1.00 0.00 N ATOM 0 H LYS A 112 -7.800 -6.161 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 112 -8.570 -4.003 -7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.926 -6.437 -6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.899 -5.234 -7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.447 -6.461 -8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -10.025 -7.216 -8.895 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.780 -4.301 -9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.191 -5.495 -10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -11.398 -5.287 -11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -11.526 -6.654 -10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -13.129 -4.604 -10.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -12.609 -5.432 -8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.874 -3.966 -9.228 1.00 0.00 H new ATOM 1832 N VAL A 113 -9.858 -3.986 -4.800 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.540 -3.148 -3.821 1.00 0.00 C ATOM 1834 C VAL A 113 -9.878 -1.779 -3.711 1.00 0.00 C ATOM 1835 O VAL A 113 -10.534 -0.747 -3.853 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.558 -3.810 -2.430 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.165 -2.871 -1.399 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.319 -5.127 -2.477 1.00 0.00 C ATOM 0 H VAL A 113 -9.553 -4.891 -4.441 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.565 -3.025 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.530 -4.020 -2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.169 -3.356 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.574 -1.957 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.187 -2.626 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.322 -5.581 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.345 -4.943 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.836 -5.801 -3.184 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.574 -1.778 -3.459 1.00 0.00 N ATOM 1849 CA LEU A 114 -7.820 -0.536 -3.331 1.00 0.00 C ATOM 1850 C LEU A 114 -8.139 0.415 -4.480 1.00 0.00 C ATOM 1851 O LEU A 114 -8.194 1.632 -4.296 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.319 -0.827 -3.297 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.397 0.376 -3.496 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.450 1.296 -2.287 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -3.969 -0.084 -3.756 1.00 0.00 C ATOM 0 H LEU A 114 -8.016 -2.624 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.112 -0.058 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.080 -1.288 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.094 -1.563 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.743 0.934 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.787 2.146 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.470 1.653 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.131 0.749 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.326 0.785 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.613 -0.665 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.943 -0.702 -4.654 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.350 -0.147 -5.665 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.666 0.651 -6.845 1.00 0.00 C ATOM 1869 C LEU A 115 -10.068 1.243 -6.742 1.00 0.00 C ATOM 1870 O LEU A 115 -10.233 2.460 -6.668 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.553 -0.204 -8.108 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.226 -0.938 -8.305 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.328 -1.925 -9.458 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -6.099 0.055 -8.549 1.00 0.00 C ATOM 0 H LEU A 115 -8.308 -1.152 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.949 1.470 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.355 -0.942 -8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.723 0.437 -8.973 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.002 -1.495 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.374 -2.438 -9.583 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.108 -2.656 -9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.575 -1.389 -10.375 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.162 -0.485 -8.687 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.316 0.639 -9.443 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.010 0.723 -7.692 1.00 0.00 H new ATOM 1886 N GLU A 116 -11.074 0.374 -6.736 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.461 0.812 -6.641 1.00 0.00 C ATOM 1888 C GLU A 116 -12.624 1.867 -5.551 1.00 0.00 C ATOM 1889 O GLU A 116 -13.217 2.923 -5.776 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.377 -0.380 -6.354 1.00 0.00 C ATOM 1891 CG GLU A 116 -12.863 -1.291 -5.252 1.00 0.00 C ATOM 1892 CD GLU A 116 -13.646 -2.586 -5.154 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -13.286 -3.552 -5.858 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -14.619 -2.632 -4.372 1.00 0.00 O ATOM 0 H GLU A 116 -10.954 -0.637 -6.796 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.742 1.255 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -14.364 -0.010 -6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -13.499 -0.962 -7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.813 -1.519 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.915 -0.766 -4.298 1.00 0.00 H new ATOM 1901 N THR A 117 -12.095 1.574 -4.367 1.00 0.00 N ATOM 1902 CA THR A 117 -12.183 2.495 -3.241 1.00 0.00 C ATOM 1903 C THR A 117 -12.014 3.939 -3.697 1.00 0.00 C ATOM 1904 O THR A 117 -12.831 4.802 -3.375 1.00 0.00 O ATOM 1905 CB THR A 117 -11.120 2.178 -2.172 1.00 0.00 C ATOM 1906 OG1 THR A 117 -11.145 0.782 -1.854 1.00 0.00 O ATOM 1907 CG2 THR A 117 -11.360 2.995 -0.911 1.00 0.00 C ATOM 0 H THR A 117 -11.601 0.705 -4.163 1.00 0.00 H new ATOM 0 HA THR A 117 -13.174 2.368 -2.806 1.00 0.00 H new ATOM 0 HB THR A 117 -10.142 2.440 -2.575 1.00 0.00 H new ATOM 0 HG1 THR A 117 -10.591 0.290 -2.496 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.597 2.754 -0.171 1.00 0.00 H new ATOM 0 HG22 THR A 117 -11.310 4.057 -1.151 1.00 0.00 H new ATOM 0 HG23 THR A 117 -12.345 2.760 -0.507 1.00 0.00 H new ATOM 1915 N ARG A 118 -10.949 4.196 -4.450 1.00 0.00 N ATOM 1916 CA ARG A 118 -10.674 5.538 -4.951 1.00 0.00 C ATOM 1917 C ARG A 118 -11.939 6.180 -5.510 1.00 0.00 C ATOM 1918 O ARG A 118 -12.341 7.261 -5.080 1.00 0.00 O ATOM 1919 CB ARG A 118 -9.592 5.489 -6.032 1.00 0.00 C ATOM 1920 CG ARG A 118 -8.237 5.033 -5.517 1.00 0.00 C ATOM 1921 CD ARG A 118 -7.119 5.424 -6.472 1.00 0.00 C ATOM 1922 NE ARG A 118 -6.885 4.401 -7.488 1.00 0.00 N ATOM 1923 CZ ARG A 118 -7.578 4.315 -8.618 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -8.543 5.187 -8.875 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -7.306 3.356 -9.493 1.00 0.00 N ATOM 0 H ARG A 118 -10.263 3.493 -4.726 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.319 6.144 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.914 4.816 -6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.488 6.479 -6.475 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.051 5.474 -4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.242 3.951 -5.384 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.370 6.367 -6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.202 5.591 -5.907 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.149 3.715 -7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.755 5.926 -8.204 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -9.074 5.119 -9.743 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -6.564 2.684 -9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -7.839 3.291 -10.360 1.00 0.00 H new