USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=26 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 97 ASN : amide:sc= -1 K(o=-0.7,f=-6.2!) USER MOD Set 1.2: A 101 SER OG : rot 140:sc= 0.302 USER MOD Set 2.1: A 91 ASN : amide:sc= -0.277 X(o=0.4,f=0.54) USER MOD Set 2.2: A 94 CYS SG : rot -40:sc= 0.679 USER MOD Set 3.1: A 77 GLN : amide:sc= -2.93! C(o=-2.5!,f=-11!) USER MOD Set 3.2: A 81 SER OG : rot 157:sc= 0.43 USER MOD Set 4.1: A 39 SER OG : rot 21:sc= 0.426! USER MOD Set 4.2: A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 21 ASN : amide:sc= -0.138 K(o=-2.3,f=-3.9) USER MOD Set 5.2: A 71 MET CE :methyl -119:sc= -1.98 (180deg=-5.69!) USER MOD Set 5.3: A 72 MET CE :methyl -124:sc= -0.141 (180deg=-0.00848) USER MOD Single : A 16 MET CE :methyl -164:sc= -1.62 (180deg=-3.26!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00864) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 30 TYR OH : rot 180: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 47 SER OG : rot 180:sc= -0.933 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 154:sc= 0.103 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 168:sc= -1.02 (180deg=-1.32) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.36) USER MOD Single : A 74 ASN : amide:sc= -0.219 K(o=-0.22,f=-2.5!) USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.036) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.342 USER MOD Single : A 82 MET CE :methyl -132:sc= -0.849 (180deg=-4.04!) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -159:sc= -0.0271 (180deg=-0.253) USER MOD Single : A 92 ASN : amide:sc= -0.373 K(o=-0.37,f=-1.4) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -130:sc=-0.00501 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0225 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -7.755 17.800 2.273 1.00 0.00 N ATOM 196 CA PRO A 15 -8.562 16.614 1.971 1.00 0.00 C ATOM 197 C PRO A 15 -7.726 15.473 1.402 1.00 0.00 C ATOM 198 O PRO A 15 -8.015 14.300 1.640 1.00 0.00 O ATOM 199 CB PRO A 15 -9.560 17.119 0.926 1.00 0.00 C ATOM 200 CG PRO A 15 -8.878 18.276 0.281 1.00 0.00 C ATOM 201 CD PRO A 15 -8.041 18.915 1.354 1.00 0.00 C ATOM 0 HA PRO A 15 -9.032 16.203 2.865 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.798 16.343 0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.500 17.421 1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.258 17.948 -0.553 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.604 18.983 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.126 19.345 0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.577 19.721 1.855 1.00 0.00 H new ATOM 209 N MET A 16 -6.689 15.824 0.649 1.00 0.00 N ATOM 210 CA MET A 16 -5.810 14.829 0.046 1.00 0.00 C ATOM 211 C MET A 16 -4.989 14.112 1.113 1.00 0.00 C ATOM 212 O MET A 16 -4.362 13.089 0.842 1.00 0.00 O ATOM 213 CB MET A 16 -4.879 15.489 -0.973 1.00 0.00 C ATOM 214 CG MET A 16 -5.513 15.678 -2.341 1.00 0.00 C ATOM 215 SD MET A 16 -5.534 14.159 -3.313 1.00 0.00 S ATOM 216 CE MET A 16 -3.805 13.695 -3.254 1.00 0.00 C ATOM 0 H MET A 16 -6.437 16.790 0.442 1.00 0.00 H new ATOM 0 HA MET A 16 -6.432 14.094 -0.465 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.564 16.460 -0.590 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.980 14.881 -1.079 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.534 16.040 -2.217 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.967 16.447 -2.887 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.601 12.953 -4.026 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.186 14.576 -3.425 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.575 13.274 -2.276 1.00 0.00 H new ATOM 226 N GLN A 17 -4.998 14.657 2.326 1.00 0.00 N ATOM 227 CA GLN A 17 -4.253 14.068 3.432 1.00 0.00 C ATOM 228 C GLN A 17 -5.102 13.044 4.178 1.00 0.00 C ATOM 229 O GLN A 17 -4.602 12.006 4.609 1.00 0.00 O ATOM 230 CB GLN A 17 -3.785 15.160 4.397 1.00 0.00 C ATOM 231 CG GLN A 17 -2.972 14.630 5.567 1.00 0.00 C ATOM 232 CD GLN A 17 -2.475 15.734 6.480 1.00 0.00 C ATOM 233 OE1 GLN A 17 -2.964 15.898 7.598 1.00 0.00 O ATOM 234 NE2 GLN A 17 -1.498 16.498 6.007 1.00 0.00 N ATOM 0 H GLN A 17 -5.512 15.504 2.567 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.382 13.558 3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.185 15.886 3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.656 15.691 4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.582 13.934 6.143 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.120 14.067 5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.122 16.326 5.074 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.123 17.257 6.576 1.00 0.00 H new ATOM 243 N GLN A 18 -6.388 13.344 4.325 1.00 0.00 N ATOM 244 CA GLN A 18 -7.307 12.449 5.019 1.00 0.00 C ATOM 245 C GLN A 18 -7.550 11.182 4.207 1.00 0.00 C ATOM 246 O GLN A 18 -7.584 10.078 4.752 1.00 0.00 O ATOM 247 CB GLN A 18 -8.635 13.158 5.291 1.00 0.00 C ATOM 248 CG GLN A 18 -8.535 14.258 6.336 1.00 0.00 C ATOM 249 CD GLN A 18 -8.751 13.745 7.746 1.00 0.00 C ATOM 250 OE1 GLN A 18 -9.850 13.318 8.101 1.00 0.00 O ATOM 251 NE2 GLN A 18 -7.702 13.785 8.558 1.00 0.00 N ATOM 0 H GLN A 18 -6.818 14.200 3.973 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.853 12.168 5.969 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.006 13.586 4.360 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.369 12.422 5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.554 14.728 6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.273 15.030 6.117 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.810 14.147 8.221 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.788 13.454 9.519 1.00 0.00 H new ATOM 260 N LYS A 19 -7.719 11.346 2.899 1.00 0.00 N ATOM 261 CA LYS A 19 -7.958 10.216 2.010 1.00 0.00 C ATOM 262 C LYS A 19 -6.898 9.137 2.203 1.00 0.00 C ATOM 263 O LYS A 19 -7.209 8.007 2.582 1.00 0.00 O ATOM 264 CB LYS A 19 -7.967 10.681 0.551 1.00 0.00 C ATOM 265 CG LYS A 19 -9.326 11.168 0.077 1.00 0.00 C ATOM 266 CD LYS A 19 -9.521 10.915 -1.409 1.00 0.00 C ATOM 267 CE LYS A 19 -10.995 10.902 -1.783 1.00 0.00 C ATOM 268 NZ LYS A 19 -11.488 12.261 -2.141 1.00 0.00 N ATOM 0 H LYS A 19 -7.695 12.252 2.431 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.932 9.792 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.240 11.484 0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.643 9.858 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.111 10.663 0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.423 12.234 0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.006 11.687 -1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.067 9.961 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.150 10.226 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.578 10.512 -0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.497 12.210 -2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.363 12.900 -1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.949 12.623 -2.953 1.00 0.00 H new ATOM 282 N LEU A 20 -5.644 9.492 1.943 1.00 0.00 N ATOM 283 CA LEU A 20 -4.537 8.554 2.090 1.00 0.00 C ATOM 284 C LEU A 20 -4.780 7.604 3.257 1.00 0.00 C ATOM 285 O LEU A 20 -4.738 6.385 3.097 1.00 0.00 O ATOM 286 CB LEU A 20 -3.225 9.313 2.300 1.00 0.00 C ATOM 287 CG LEU A 20 -2.515 9.789 1.032 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.516 10.888 1.361 1.00 0.00 C ATOM 289 CD2 LEU A 20 -1.821 8.625 0.340 1.00 0.00 C ATOM 0 H LEU A 20 -5.369 10.423 1.629 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.467 7.966 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.427 10.181 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.542 8.671 2.856 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.262 10.197 0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.020 11.215 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.039 11.732 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.772 10.506 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.321 8.983 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.085 8.187 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.559 7.870 0.070 1.00 0.00 H new ATOM 301 N ASN A 21 -5.037 8.170 4.432 1.00 0.00 N ATOM 302 CA ASN A 21 -5.290 7.373 5.626 1.00 0.00 C ATOM 303 C ASN A 21 -6.511 6.478 5.435 1.00 0.00 C ATOM 304 O ASN A 21 -6.481 5.293 5.765 1.00 0.00 O ATOM 305 CB ASN A 21 -5.496 8.283 6.839 1.00 0.00 C ATOM 306 CG ASN A 21 -5.565 7.507 8.140 1.00 0.00 C ATOM 307 OD1 ASN A 21 -4.539 7.140 8.712 1.00 0.00 O ATOM 308 ND2 ASN A 21 -6.780 7.252 8.612 1.00 0.00 N ATOM 0 H ASN A 21 -5.075 9.178 4.582 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.420 6.739 5.799 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.680 9.003 6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.416 8.853 6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.890 6.732 9.483 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.603 7.576 8.104 1.00 0.00 H new ATOM 315 N GLU A 22 -7.582 7.054 4.900 1.00 0.00 N ATOM 316 CA GLU A 22 -8.813 6.308 4.665 1.00 0.00 C ATOM 317 C GLU A 22 -8.564 5.129 3.730 1.00 0.00 C ATOM 318 O GLU A 22 -8.757 3.972 4.106 1.00 0.00 O ATOM 319 CB GLU A 22 -9.886 7.225 4.074 1.00 0.00 C ATOM 320 CG GLU A 22 -10.369 8.297 5.036 1.00 0.00 C ATOM 321 CD GLU A 22 -11.759 8.800 4.700 1.00 0.00 C ATOM 322 OE1 GLU A 22 -12.618 7.971 4.333 1.00 0.00 O ATOM 323 OE2 GLU A 22 -11.988 10.023 4.804 1.00 0.00 O ATOM 0 H GLU A 22 -7.623 8.034 4.621 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.163 5.922 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.489 7.704 3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.737 6.620 3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.367 7.897 6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.671 9.134 5.022 1.00 0.00 H new ATOM 330 N VAL A 23 -8.136 5.430 2.508 1.00 0.00 N ATOM 331 CA VAL A 23 -7.860 4.396 1.518 1.00 0.00 C ATOM 332 C VAL A 23 -7.077 3.241 2.133 1.00 0.00 C ATOM 333 O VAL A 23 -7.341 2.074 1.842 1.00 0.00 O ATOM 334 CB VAL A 23 -7.068 4.960 0.323 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.806 3.870 -0.706 1.00 0.00 C ATOM 336 CG2 VAL A 23 -7.812 6.129 -0.304 1.00 0.00 C ATOM 0 H VAL A 23 -7.973 6.382 2.180 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.824 4.030 1.165 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.106 5.323 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.246 4.287 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.229 3.067 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.755 3.474 -1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.239 6.515 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.789 5.794 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.943 6.917 0.438 1.00 0.00 H new ATOM 346 N TYR A 24 -6.114 3.574 2.984 1.00 0.00 N ATOM 347 CA TYR A 24 -5.290 2.565 3.640 1.00 0.00 C ATOM 348 C TYR A 24 -6.141 1.655 4.520 1.00 0.00 C ATOM 349 O TYR A 24 -6.072 0.431 4.414 1.00 0.00 O ATOM 350 CB TYR A 24 -4.201 3.233 4.481 1.00 0.00 C ATOM 351 CG TYR A 24 -3.554 2.303 5.482 1.00 0.00 C ATOM 352 CD1 TYR A 24 -2.471 1.509 5.123 1.00 0.00 C ATOM 353 CD2 TYR A 24 -4.024 2.217 6.786 1.00 0.00 C ATOM 354 CE1 TYR A 24 -1.876 0.657 6.034 1.00 0.00 C ATOM 355 CE2 TYR A 24 -3.435 1.369 7.704 1.00 0.00 C ATOM 356 CZ TYR A 24 -2.362 0.591 7.323 1.00 0.00 C ATOM 357 OH TYR A 24 -1.773 -0.255 8.234 1.00 0.00 O ATOM 0 H TYR A 24 -5.884 4.535 3.236 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.821 1.957 2.866 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.433 3.630 3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.633 4.081 5.012 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.088 1.559 4.114 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.865 2.824 7.088 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.036 0.047 5.738 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.813 1.316 8.714 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.234 -0.180 9.095 1.00 0.00 H new ATOM 367 N GLU A 25 -6.945 2.263 5.387 1.00 0.00 N ATOM 368 CA GLU A 25 -7.810 1.508 6.285 1.00 0.00 C ATOM 369 C GLU A 25 -8.852 0.717 5.500 1.00 0.00 C ATOM 370 O GLU A 25 -8.969 -0.498 5.653 1.00 0.00 O ATOM 371 CB GLU A 25 -8.504 2.449 7.272 1.00 0.00 C ATOM 372 CG GLU A 25 -7.558 3.082 8.278 1.00 0.00 C ATOM 373 CD GLU A 25 -8.260 3.503 9.554 1.00 0.00 C ATOM 374 OE1 GLU A 25 -8.875 4.590 9.561 1.00 0.00 O ATOM 375 OE2 GLU A 25 -8.194 2.747 10.546 1.00 0.00 O ATOM 0 H GLU A 25 -7.015 3.276 5.486 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.189 0.805 6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.009 3.238 6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.274 1.895 7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.765 2.375 8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.082 3.952 7.826 1.00 0.00 H new ATOM 382 N ALA A 26 -9.607 1.417 4.660 1.00 0.00 N ATOM 383 CA ALA A 26 -10.639 0.782 3.850 1.00 0.00 C ATOM 384 C ALA A 26 -10.203 -0.608 3.397 1.00 0.00 C ATOM 385 O ALA A 26 -10.985 -1.558 3.436 1.00 0.00 O ATOM 386 CB ALA A 26 -10.974 1.650 2.646 1.00 0.00 C ATOM 0 H ALA A 26 -9.523 2.424 4.523 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.532 0.672 4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.746 1.163 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.336 2.620 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.080 1.789 2.038 1.00 0.00 H new ATOM 392 N VAL A 27 -8.951 -0.719 2.967 1.00 0.00 N ATOM 393 CA VAL A 27 -8.411 -1.993 2.507 1.00 0.00 C ATOM 394 C VAL A 27 -8.170 -2.942 3.676 1.00 0.00 C ATOM 395 O VAL A 27 -8.420 -4.144 3.576 1.00 0.00 O ATOM 396 CB VAL A 27 -7.091 -1.799 1.738 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.518 -3.141 1.310 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.304 -0.893 0.534 1.00 0.00 C ATOM 0 H VAL A 27 -8.291 0.058 2.927 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.153 -2.427 1.837 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.372 -1.320 2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.586 -2.982 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.326 -3.752 2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.231 -3.651 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.361 -0.767 0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.040 -1.342 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.664 0.079 0.870 1.00 0.00 H new ATOM 408 N LYS A 28 -7.683 -2.395 4.784 1.00 0.00 N ATOM 409 CA LYS A 28 -7.409 -3.191 5.974 1.00 0.00 C ATOM 410 C LYS A 28 -8.700 -3.750 6.564 1.00 0.00 C ATOM 411 O LYS A 28 -8.824 -4.954 6.781 1.00 0.00 O ATOM 412 CB LYS A 28 -6.681 -2.346 7.022 1.00 0.00 C ATOM 413 CG LYS A 28 -6.476 -3.062 8.346 1.00 0.00 C ATOM 414 CD LYS A 28 -5.812 -2.159 9.371 1.00 0.00 C ATOM 415 CE LYS A 28 -5.399 -2.934 10.613 1.00 0.00 C ATOM 416 NZ LYS A 28 -6.577 -3.487 11.339 1.00 0.00 N ATOM 0 H LYS A 28 -7.470 -1.402 4.883 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.772 -4.026 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.710 -2.048 6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.248 -1.432 7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.438 -3.403 8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.862 -3.949 8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.935 -1.687 8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.498 -1.359 9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.733 -3.748 10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.836 -2.280 11.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.256 -3.979 12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.217 -2.711 11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.081 -4.157 10.724 1.00 0.00 H new ATOM 430 N ASN A 29 -9.659 -2.866 6.821 1.00 0.00 N ATOM 431 CA ASN A 29 -10.941 -3.271 7.385 1.00 0.00 C ATOM 432 C ASN A 29 -11.623 -4.306 6.496 1.00 0.00 C ATOM 433 O ASN A 29 -12.256 -5.241 6.988 1.00 0.00 O ATOM 434 CB ASN A 29 -11.852 -2.054 7.561 1.00 0.00 C ATOM 435 CG ASN A 29 -12.840 -2.231 8.698 1.00 0.00 C ATOM 436 OD1 ASN A 29 -13.728 -3.082 8.636 1.00 0.00 O ATOM 437 ND2 ASN A 29 -12.689 -1.427 9.743 1.00 0.00 N ATOM 0 H ASN A 29 -9.572 -1.865 6.647 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.755 -3.721 8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.241 -1.171 7.748 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.397 -1.874 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.323 -1.500 10.538 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.939 -0.736 9.751 1.00 0.00 H new ATOM 444 N TYR A 30 -11.490 -4.133 5.186 1.00 0.00 N ATOM 445 CA TYR A 30 -12.094 -5.051 4.228 1.00 0.00 C ATOM 446 C TYR A 30 -12.081 -6.481 4.761 1.00 0.00 C ATOM 447 O TYR A 30 -11.083 -6.941 5.316 1.00 0.00 O ATOM 448 CB TYR A 30 -11.355 -4.986 2.891 1.00 0.00 C ATOM 449 CG TYR A 30 -12.110 -5.628 1.749 1.00 0.00 C ATOM 450 CD1 TYR A 30 -13.117 -4.942 1.083 1.00 0.00 C ATOM 451 CD2 TYR A 30 -11.815 -6.922 1.337 1.00 0.00 C ATOM 452 CE1 TYR A 30 -13.810 -5.526 0.040 1.00 0.00 C ATOM 453 CE2 TYR A 30 -12.502 -7.513 0.294 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.499 -6.811 -0.351 1.00 0.00 C ATOM 455 OH TYR A 30 -14.186 -7.395 -1.390 1.00 0.00 O ATOM 0 H TYR A 30 -10.969 -3.365 4.763 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.130 -4.748 4.077 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.159 -3.943 2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.387 -5.476 2.996 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.363 -3.935 1.385 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.036 -7.475 1.840 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.591 -4.979 -0.466 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.260 -8.519 -0.015 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.844 -8.301 -1.540 1.00 0.00 H new ATOM 465 N THR A 31 -13.197 -7.181 4.586 1.00 0.00 N ATOM 466 CA THR A 31 -13.316 -8.558 5.048 1.00 0.00 C ATOM 467 C THR A 31 -14.084 -9.411 4.044 1.00 0.00 C ATOM 468 O THR A 31 -14.465 -8.935 2.975 1.00 0.00 O ATOM 469 CB THR A 31 -14.023 -8.633 6.415 1.00 0.00 C ATOM 470 OG1 THR A 31 -15.189 -7.802 6.409 1.00 0.00 O ATOM 471 CG2 THR A 31 -13.088 -8.197 7.532 1.00 0.00 C ATOM 0 H THR A 31 -14.032 -6.817 4.127 1.00 0.00 H new ATOM 0 HA THR A 31 -12.302 -8.946 5.150 1.00 0.00 H new ATOM 0 HB THR A 31 -14.316 -9.668 6.592 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.634 -7.856 7.281 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.609 -8.258 8.487 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.216 -8.850 7.552 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.768 -7.170 7.358 1.00 0.00 H new ATOM 479 N ASP A 32 -14.308 -10.672 4.396 1.00 0.00 N ATOM 480 CA ASP A 32 -15.032 -11.591 3.526 1.00 0.00 C ATOM 481 C ASP A 32 -16.531 -11.537 3.805 1.00 0.00 C ATOM 482 O ASP A 32 -16.990 -10.759 4.642 1.00 0.00 O ATOM 483 CB ASP A 32 -14.517 -13.019 3.714 1.00 0.00 C ATOM 484 CG ASP A 32 -14.708 -13.871 2.475 1.00 0.00 C ATOM 485 OD1 ASP A 32 -14.265 -13.445 1.387 1.00 0.00 O ATOM 486 OD2 ASP A 32 -15.298 -14.965 2.593 1.00 0.00 O ATOM 0 H ASP A 32 -13.999 -11.081 5.278 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.861 -11.285 2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.458 -12.989 3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.036 -13.482 4.553 1.00 0.00 H new ATOM 491 N LYS A 33 -17.290 -12.367 3.098 1.00 0.00 N ATOM 492 CA LYS A 33 -18.738 -12.414 3.269 1.00 0.00 C ATOM 493 C LYS A 33 -19.105 -12.698 4.722 1.00 0.00 C ATOM 494 O LYS A 33 -20.255 -12.528 5.126 1.00 0.00 O ATOM 495 CB LYS A 33 -19.344 -13.486 2.360 1.00 0.00 C ATOM 496 CG LYS A 33 -19.699 -12.978 0.974 1.00 0.00 C ATOM 497 CD LYS A 33 -21.097 -12.384 0.939 1.00 0.00 C ATOM 498 CE LYS A 33 -21.105 -10.947 1.437 1.00 0.00 C ATOM 499 NZ LYS A 33 -22.325 -10.215 0.998 1.00 0.00 N ATOM 0 H LYS A 33 -16.927 -13.017 2.401 1.00 0.00 H new ATOM 0 HA LYS A 33 -19.144 -11.440 2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -18.639 -14.312 2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -20.241 -13.886 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.975 -12.224 0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -19.632 -13.797 0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -21.483 -12.419 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -21.765 -12.987 1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -21.049 -10.940 2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -20.219 -10.430 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -22.293 -9.240 1.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -22.366 -10.200 -0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -23.170 -10.694 1.371 1.00 0.00 H new ATOM 513 N ARG A 34 -18.119 -13.128 5.504 1.00 0.00 N ATOM 514 CA ARG A 34 -18.339 -13.434 6.912 1.00 0.00 C ATOM 515 C ARG A 34 -17.807 -12.314 7.801 1.00 0.00 C ATOM 516 O ARG A 34 -18.563 -11.672 8.529 1.00 0.00 O ATOM 517 CB ARG A 34 -17.665 -14.756 7.280 1.00 0.00 C ATOM 518 CG ARG A 34 -18.147 -15.937 6.452 1.00 0.00 C ATOM 519 CD ARG A 34 -17.109 -17.048 6.410 1.00 0.00 C ATOM 520 NE ARG A 34 -17.646 -18.276 5.829 1.00 0.00 N ATOM 521 CZ ARG A 34 -18.337 -19.175 6.520 1.00 0.00 C ATOM 522 NH1 ARG A 34 -18.576 -18.984 7.810 1.00 0.00 N ATOM 523 NH2 ARG A 34 -18.793 -20.267 5.920 1.00 0.00 N ATOM 0 H ARG A 34 -17.161 -13.272 5.186 1.00 0.00 H new ATOM 0 HA ARG A 34 -19.413 -13.525 7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.587 -14.652 7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.845 -14.965 8.335 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -19.077 -16.322 6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -18.368 -15.606 5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.248 -16.718 5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.753 -17.250 7.420 1.00 0.00 H new ATOM 0 HE ARG A 34 -17.481 -18.453 4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.229 -18.145 8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.107 -19.676 8.338 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -18.613 -20.416 4.927 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.324 -20.957 6.452 1.00 0.00 H new ATOM 537 N GLY A 35 -16.498 -12.086 7.737 1.00 0.00 N ATOM 538 CA GLY A 35 -15.887 -11.044 8.542 1.00 0.00 C ATOM 539 C GLY A 35 -14.419 -11.308 8.814 1.00 0.00 C ATOM 540 O GLY A 35 -13.925 -11.035 9.908 1.00 0.00 O ATOM 0 H GLY A 35 -15.851 -12.604 7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.993 -10.086 8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.420 -10.961 9.489 1.00 0.00 H new ATOM 544 N ARG A 36 -13.721 -11.843 7.818 1.00 0.00 N ATOM 545 CA ARG A 36 -12.302 -12.148 7.956 1.00 0.00 C ATOM 546 C ARG A 36 -11.459 -11.208 7.100 1.00 0.00 C ATOM 547 O ARG A 36 -11.527 -11.241 5.872 1.00 0.00 O ATOM 548 CB ARG A 36 -12.029 -13.599 7.560 1.00 0.00 C ATOM 549 CG ARG A 36 -12.366 -14.603 8.650 1.00 0.00 C ATOM 550 CD ARG A 36 -11.208 -14.783 9.619 1.00 0.00 C ATOM 551 NE ARG A 36 -10.105 -15.531 9.021 1.00 0.00 N ATOM 552 CZ ARG A 36 -10.091 -16.855 8.909 1.00 0.00 C ATOM 553 NH1 ARG A 36 -11.114 -17.572 9.351 1.00 0.00 N ATOM 554 NH2 ARG A 36 -9.051 -17.463 8.352 1.00 0.00 N ATOM 0 H ARG A 36 -14.115 -12.074 6.906 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.026 -12.007 9.001 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.607 -13.838 6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.977 -13.702 7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.249 -14.268 9.195 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.616 -15.563 8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.850 -13.805 9.942 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.558 -15.304 10.510 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.302 -15.009 8.670 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.915 -17.108 9.779 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.100 -18.588 9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.262 -16.914 8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.040 -18.479 8.266 1.00 0.00 H new ATOM 568 N ARG A 37 -10.664 -10.370 7.758 1.00 0.00 N ATOM 569 CA ARG A 37 -9.808 -9.419 7.057 1.00 0.00 C ATOM 570 C ARG A 37 -8.616 -10.128 6.421 1.00 0.00 C ATOM 571 O ARG A 37 -7.925 -10.911 7.073 1.00 0.00 O ATOM 572 CB ARG A 37 -9.318 -8.336 8.020 1.00 0.00 C ATOM 573 CG ARG A 37 -8.519 -8.881 9.193 1.00 0.00 C ATOM 574 CD ARG A 37 -8.564 -7.937 10.384 1.00 0.00 C ATOM 575 NE ARG A 37 -7.726 -8.404 11.485 1.00 0.00 N ATOM 576 CZ ARG A 37 -8.061 -9.407 12.289 1.00 0.00 C ATOM 577 NH1 ARG A 37 -9.210 -10.045 12.115 1.00 0.00 N ATOM 578 NH2 ARG A 37 -7.245 -9.775 13.269 1.00 0.00 N ATOM 0 H ARG A 37 -10.595 -10.330 8.775 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.395 -8.953 6.266 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.701 -7.625 7.470 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.178 -7.785 8.401 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.915 -9.854 9.483 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.484 -9.036 8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.235 -6.946 10.073 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.593 -7.837 10.729 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.835 -7.934 11.645 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.839 -9.766 11.362 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.465 -10.815 12.734 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.360 -9.287 13.405 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.503 -10.545 13.886 1.00 0.00 H new ATOM 592 N LEU A 38 -8.381 -9.847 5.144 1.00 0.00 N ATOM 593 CA LEU A 38 -7.272 -10.457 4.418 1.00 0.00 C ATOM 594 C LEU A 38 -5.944 -9.823 4.820 1.00 0.00 C ATOM 595 O LEU A 38 -4.892 -10.458 4.738 1.00 0.00 O ATOM 596 CB LEU A 38 -7.483 -10.314 2.910 1.00 0.00 C ATOM 597 CG LEU A 38 -8.803 -10.859 2.363 1.00 0.00 C ATOM 598 CD1 LEU A 38 -9.949 -9.916 2.698 1.00 0.00 C ATOM 599 CD2 LEU A 38 -8.709 -11.073 0.859 1.00 0.00 C ATOM 0 H LEU A 38 -8.943 -9.201 4.590 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.241 -11.516 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.415 -9.257 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.664 -10.820 2.399 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.001 -11.821 2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.880 -10.320 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.030 -9.812 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.758 -8.939 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.657 -11.461 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.488 -10.124 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.914 -11.787 0.642 1.00 0.00 H new ATOM 611 N SER A 39 -6.001 -8.569 5.255 1.00 0.00 N ATOM 612 CA SER A 39 -4.802 -7.848 5.668 1.00 0.00 C ATOM 613 C SER A 39 -4.150 -8.523 6.871 1.00 0.00 C ATOM 614 O SER A 39 -3.040 -8.170 7.268 1.00 0.00 O ATOM 615 CB SER A 39 -5.146 -6.397 6.007 1.00 0.00 C ATOM 616 OG SER A 39 -4.272 -5.884 6.998 1.00 0.00 O ATOM 0 H SER A 39 -6.864 -8.031 5.331 1.00 0.00 H new ATOM 0 HA SER A 39 -4.095 -7.862 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.080 -5.785 5.108 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.176 -6.337 6.359 1.00 0.00 H new ATOM 0 HG SER A 39 -3.452 -6.420 7.020 1.00 0.00 H new ATOM 622 N ALA A 40 -4.849 -9.496 7.447 1.00 0.00 N ATOM 623 CA ALA A 40 -4.338 -10.222 8.603 1.00 0.00 C ATOM 624 C ALA A 40 -3.029 -10.929 8.273 1.00 0.00 C ATOM 625 O ALA A 40 -2.052 -10.825 9.015 1.00 0.00 O ATOM 626 CB ALA A 40 -5.372 -11.224 9.096 1.00 0.00 C ATOM 0 H ALA A 40 -5.770 -9.799 7.132 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.140 -9.500 9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.977 -11.759 9.960 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.283 -10.697 9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.598 -11.935 8.301 1.00 0.00 H new ATOM 632 N ILE A 41 -3.016 -11.649 7.156 1.00 0.00 N ATOM 633 CA ILE A 41 -1.825 -12.373 6.728 1.00 0.00 C ATOM 634 C ILE A 41 -0.833 -11.442 6.040 1.00 0.00 C ATOM 635 O ILE A 41 0.128 -11.893 5.417 1.00 0.00 O ATOM 636 CB ILE A 41 -2.181 -13.525 5.769 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.959 -14.414 5.529 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.709 -12.974 4.453 1.00 0.00 C ATOM 639 CD1 ILE A 41 -1.311 -15.839 5.166 1.00 0.00 C ATOM 0 H ILE A 41 -3.816 -11.747 6.531 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.368 -12.787 7.627 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.963 -14.131 6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.357 -13.982 4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.341 -14.418 6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.956 -13.800 3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.603 -12.379 4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.947 -12.348 3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.396 -16.411 5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.887 -16.289 5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.903 -15.846 4.251 1.00 0.00 H new ATOM 651 N PHE A 42 -1.071 -10.140 6.159 1.00 0.00 N ATOM 652 CA PHE A 42 -0.198 -9.144 5.550 1.00 0.00 C ATOM 653 C PHE A 42 0.165 -8.053 6.552 1.00 0.00 C ATOM 654 O PHE A 42 0.855 -7.089 6.216 1.00 0.00 O ATOM 655 CB PHE A 42 -0.874 -8.524 4.325 1.00 0.00 C ATOM 656 CG PHE A 42 -0.895 -9.431 3.128 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.276 -9.998 2.652 1.00 0.00 C ATOM 658 CD2 PHE A 42 -2.086 -9.717 2.480 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.259 -10.832 1.550 1.00 0.00 C ATOM 660 CE2 PHE A 42 -2.109 -10.551 1.379 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.935 -11.110 0.913 1.00 0.00 C ATOM 0 H PHE A 42 -1.862 -9.750 6.672 1.00 0.00 H new ATOM 0 HA PHE A 42 0.719 -9.643 5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.898 -8.253 4.583 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.356 -7.601 4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.212 -9.786 3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.007 -9.283 2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.179 -11.266 1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.044 -10.766 0.883 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.950 -11.763 0.053 1.00 0.00 H new ATOM 671 N LEU A 43 -0.306 -8.210 7.785 1.00 0.00 N ATOM 672 CA LEU A 43 -0.032 -7.238 8.838 1.00 0.00 C ATOM 673 C LEU A 43 1.469 -7.055 9.033 1.00 0.00 C ATOM 674 O LEU A 43 2.022 -6.001 8.719 1.00 0.00 O ATOM 675 CB LEU A 43 -0.679 -7.683 10.151 1.00 0.00 C ATOM 676 CG LEU A 43 -2.175 -7.400 10.292 1.00 0.00 C ATOM 677 CD1 LEU A 43 -2.626 -7.621 11.728 1.00 0.00 C ATOM 678 CD2 LEU A 43 -2.494 -5.981 9.844 1.00 0.00 C ATOM 0 H LEU A 43 -0.879 -9.001 8.080 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.459 -6.282 8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.520 -8.755 10.266 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.158 -7.193 10.974 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.719 -8.093 9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.693 -7.415 11.810 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.433 -8.655 12.015 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.076 -6.952 12.389 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.563 -5.797 9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.940 -5.272 10.460 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.207 -5.856 8.800 1.00 0.00 H new ATOM 690 N ARG A 44 2.123 -8.089 9.552 1.00 0.00 N ATOM 691 CA ARG A 44 3.561 -8.043 9.788 1.00 0.00 C ATOM 692 C ARG A 44 4.269 -9.183 9.062 1.00 0.00 C ATOM 693 O ARG A 44 3.836 -10.335 9.122 1.00 0.00 O ATOM 694 CB ARG A 44 3.856 -8.118 11.287 1.00 0.00 C ATOM 695 CG ARG A 44 2.964 -7.220 12.129 1.00 0.00 C ATOM 696 CD ARG A 44 1.645 -7.899 12.461 1.00 0.00 C ATOM 697 NE ARG A 44 1.759 -8.781 13.620 1.00 0.00 N ATOM 698 CZ ARG A 44 2.008 -10.083 13.532 1.00 0.00 C ATOM 699 NH1 ARG A 44 2.168 -10.651 12.344 1.00 0.00 N ATOM 700 NH2 ARG A 44 2.097 -10.819 14.632 1.00 0.00 N ATOM 0 H ARG A 44 1.680 -8.969 9.817 1.00 0.00 H new ATOM 0 HA ARG A 44 3.937 -7.098 9.397 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.738 -9.149 11.621 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.897 -7.845 11.458 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.480 -6.955 13.052 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.771 -6.291 11.593 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.886 -7.141 12.656 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.307 -8.475 11.599 1.00 0.00 H new ATOM 0 HE ARG A 44 1.641 -8.375 14.548 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.100 -10.088 11.496 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.359 -11.651 12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.974 -10.385 15.547 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.288 -11.819 14.563 1.00 0.00 H new ATOM 714 N LEU A 45 5.358 -8.855 8.376 1.00 0.00 N ATOM 715 CA LEU A 45 6.126 -9.851 7.637 1.00 0.00 C ATOM 716 C LEU A 45 7.187 -10.490 8.526 1.00 0.00 C ATOM 717 O LEU A 45 7.700 -9.876 9.461 1.00 0.00 O ATOM 718 CB LEU A 45 6.787 -9.211 6.415 1.00 0.00 C ATOM 719 CG LEU A 45 5.846 -8.797 5.282 1.00 0.00 C ATOM 720 CD1 LEU A 45 6.601 -8.012 4.221 1.00 0.00 C ATOM 721 CD2 LEU A 45 5.178 -10.020 4.670 1.00 0.00 C ATOM 0 H LEU A 45 5.729 -7.907 8.316 1.00 0.00 H new ATOM 0 HA LEU A 45 5.439 -10.630 7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.337 -8.329 6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.519 -9.912 6.014 1.00 0.00 H new ATOM 0 HG LEU A 45 5.070 -8.153 5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.915 -7.726 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.031 -7.116 4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.399 -8.631 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.512 -9.707 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.940 -10.689 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.603 -10.541 5.435 1.00 0.00 H new ATOM 733 N PRO A 46 7.526 -11.754 8.229 1.00 0.00 N ATOM 734 CA PRO A 46 8.531 -12.503 8.988 1.00 0.00 C ATOM 735 C PRO A 46 9.942 -11.969 8.767 1.00 0.00 C ATOM 736 O PRO A 46 10.379 -11.798 7.629 1.00 0.00 O ATOM 737 CB PRO A 46 8.405 -13.925 8.436 1.00 0.00 C ATOM 738 CG PRO A 46 7.853 -13.751 7.063 1.00 0.00 C ATOM 739 CD PRO A 46 6.954 -12.547 7.128 1.00 0.00 C ATOM 0 HA PRO A 46 8.366 -12.432 10.063 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.372 -14.428 8.413 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.744 -14.533 9.054 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.652 -13.603 6.337 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.298 -14.636 6.750 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.957 -11.992 6.190 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.920 -12.828 7.330 1.00 0.00 H new ATOM 747 N SER A 47 10.649 -11.708 9.862 1.00 0.00 N ATOM 748 CA SER A 47 12.010 -11.190 9.786 1.00 0.00 C ATOM 749 C SER A 47 12.949 -12.218 9.163 1.00 0.00 C ATOM 750 O SER A 47 12.532 -13.319 8.804 1.00 0.00 O ATOM 751 CB SER A 47 12.510 -10.805 11.181 1.00 0.00 C ATOM 752 OG SER A 47 13.101 -11.915 11.834 1.00 0.00 O ATOM 0 H SER A 47 10.302 -11.847 10.811 1.00 0.00 H new ATOM 0 HA SER A 47 12.000 -10.303 9.153 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.237 -9.997 11.100 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.679 -10.428 11.777 1.00 0.00 H new ATOM 0 HG SER A 47 13.413 -11.644 12.722 1.00 0.00 H new ATOM 758 N ARG A 48 14.220 -11.850 9.038 1.00 0.00 N ATOM 759 CA ARG A 48 15.219 -12.739 8.457 1.00 0.00 C ATOM 760 C ARG A 48 15.487 -13.928 9.374 1.00 0.00 C ATOM 761 O ARG A 48 15.549 -15.072 8.922 1.00 0.00 O ATOM 762 CB ARG A 48 16.521 -11.977 8.197 1.00 0.00 C ATOM 763 CG ARG A 48 17.078 -11.286 9.431 1.00 0.00 C ATOM 764 CD ARG A 48 18.234 -10.363 9.078 1.00 0.00 C ATOM 765 NE ARG A 48 19.357 -11.091 8.494 1.00 0.00 N ATOM 766 CZ ARG A 48 20.540 -10.540 8.246 1.00 0.00 C ATOM 767 NH1 ARG A 48 20.753 -9.263 8.530 1.00 0.00 N ATOM 768 NH2 ARG A 48 21.514 -11.268 7.714 1.00 0.00 N ATOM 0 H ARG A 48 14.582 -10.943 9.331 1.00 0.00 H new ATOM 0 HA ARG A 48 14.830 -13.113 7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 48 17.268 -12.671 7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 48 16.347 -11.232 7.421 1.00 0.00 H new ATOM 0 HG2 ARG A 48 16.288 -10.713 9.916 1.00 0.00 H new ATOM 0 HG3 ARG A 48 17.415 -12.035 10.148 1.00 0.00 H new ATOM 0 HD2 ARG A 48 17.890 -9.603 8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 48 18.568 -9.841 9.975 1.00 0.00 H new ATOM 0 HE ARG A 48 19.226 -12.076 8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 48 20.007 -8.701 8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 48 21.662 -8.843 8.338 1.00 0.00 H new ATOM 0 HH21 ARG A 48 21.354 -12.251 7.495 1.00 0.00 H new ATOM 0 HH22 ARG A 48 22.422 -10.844 7.524 1.00 0.00 H new ATOM 782 N SER A 49 15.647 -13.651 10.664 1.00 0.00 N ATOM 783 CA SER A 49 15.912 -14.697 11.644 1.00 0.00 C ATOM 784 C SER A 49 14.877 -15.813 11.542 1.00 0.00 C ATOM 785 O SER A 49 15.097 -16.924 12.023 1.00 0.00 O ATOM 786 CB SER A 49 15.912 -14.113 13.058 1.00 0.00 C ATOM 787 OG SER A 49 16.633 -14.943 13.952 1.00 0.00 O ATOM 0 H SER A 49 15.598 -12.710 11.055 1.00 0.00 H new ATOM 0 HA SER A 49 16.895 -15.117 11.432 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.355 -13.117 13.044 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.886 -14.000 13.408 1.00 0.00 H new ATOM 0 HG SER A 49 16.620 -14.547 14.849 1.00 0.00 H new ATOM 793 N GLU A 50 13.747 -15.507 10.912 1.00 0.00 N ATOM 794 CA GLU A 50 12.676 -16.483 10.747 1.00 0.00 C ATOM 795 C GLU A 50 12.596 -16.964 9.301 1.00 0.00 C ATOM 796 O GLU A 50 12.732 -18.157 9.023 1.00 0.00 O ATOM 797 CB GLU A 50 11.336 -15.879 11.171 1.00 0.00 C ATOM 798 CG GLU A 50 11.228 -15.624 12.665 1.00 0.00 C ATOM 799 CD GLU A 50 11.723 -14.246 13.058 1.00 0.00 C ATOM 800 OE1 GLU A 50 11.120 -13.248 12.612 1.00 0.00 O ATOM 801 OE2 GLU A 50 12.714 -14.167 13.814 1.00 0.00 O ATOM 0 H GLU A 50 13.550 -14.592 10.508 1.00 0.00 H new ATOM 0 HA GLU A 50 12.898 -17.339 11.384 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.186 -14.940 10.639 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.532 -16.549 10.867 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.189 -15.735 12.975 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.803 -16.379 13.201 1.00 0.00 H new ATOM 808 N LEU A 51 12.374 -16.029 8.385 1.00 0.00 N ATOM 809 CA LEU A 51 12.274 -16.356 6.966 1.00 0.00 C ATOM 810 C LEU A 51 13.280 -15.551 6.150 1.00 0.00 C ATOM 811 O LEU A 51 12.949 -14.535 5.539 1.00 0.00 O ATOM 812 CB LEU A 51 10.857 -16.087 6.459 1.00 0.00 C ATOM 813 CG LEU A 51 10.476 -16.763 5.141 1.00 0.00 C ATOM 814 CD1 LEU A 51 10.835 -18.240 5.176 1.00 0.00 C ATOM 815 CD2 LEU A 51 8.992 -16.579 4.857 1.00 0.00 C ATOM 0 H LEU A 51 12.260 -15.038 8.598 1.00 0.00 H new ATOM 0 HA LEU A 51 12.501 -17.415 6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.151 -16.407 7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.733 -15.011 6.341 1.00 0.00 H new ATOM 0 HG LEU A 51 11.041 -16.292 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.557 -18.705 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.908 -18.350 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.298 -18.726 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.739 -17.066 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.409 -17.023 5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.764 -15.515 4.788 1.00 0.00 H new ATOM 827 N PRO A 52 14.539 -16.015 6.137 1.00 0.00 N ATOM 828 CA PRO A 52 15.618 -15.355 5.397 1.00 0.00 C ATOM 829 C PRO A 52 15.450 -15.485 3.887 1.00 0.00 C ATOM 830 O PRO A 52 15.832 -14.591 3.131 1.00 0.00 O ATOM 831 CB PRO A 52 16.873 -16.098 5.862 1.00 0.00 C ATOM 832 CG PRO A 52 16.383 -17.440 6.285 1.00 0.00 C ATOM 833 CD PRO A 52 15.004 -17.220 6.843 1.00 0.00 C ATOM 0 HA PRO A 52 15.646 -14.282 5.588 1.00 0.00 H new ATOM 0 HB2 PRO A 52 17.606 -16.179 5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.360 -15.576 6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.357 -18.130 5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 52 17.042 -17.878 7.035 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.353 -18.073 6.653 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.026 -17.070 7.922 1.00 0.00 H new ATOM 841 N ASP A 53 14.877 -16.602 3.455 1.00 0.00 N ATOM 842 CA ASP A 53 14.657 -16.849 2.034 1.00 0.00 C ATOM 843 C ASP A 53 13.822 -15.734 1.412 1.00 0.00 C ATOM 844 O ASP A 53 13.911 -15.474 0.212 1.00 0.00 O ATOM 845 CB ASP A 53 13.963 -18.197 1.830 1.00 0.00 C ATOM 846 CG ASP A 53 14.087 -18.702 0.406 1.00 0.00 C ATOM 847 OD1 ASP A 53 15.207 -18.656 -0.144 1.00 0.00 O ATOM 848 OD2 ASP A 53 13.064 -19.141 -0.159 1.00 0.00 O ATOM 0 H ASP A 53 14.556 -17.352 4.068 1.00 0.00 H new ATOM 0 HA ASP A 53 15.628 -16.871 1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.393 -18.931 2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.908 -18.102 2.088 1.00 0.00 H new ATOM 853 N TYR A 54 13.012 -15.079 2.236 1.00 0.00 N ATOM 854 CA TYR A 54 12.159 -13.994 1.766 1.00 0.00 C ATOM 855 C TYR A 54 12.995 -12.816 1.275 1.00 0.00 C ATOM 856 O TYR A 54 12.981 -12.481 0.091 1.00 0.00 O ATOM 857 CB TYR A 54 11.219 -13.536 2.883 1.00 0.00 C ATOM 858 CG TYR A 54 10.022 -12.757 2.385 1.00 0.00 C ATOM 859 CD1 TYR A 54 10.180 -11.522 1.768 1.00 0.00 C ATOM 860 CD2 TYR A 54 8.733 -13.255 2.534 1.00 0.00 C ATOM 861 CE1 TYR A 54 9.089 -10.807 1.312 1.00 0.00 C ATOM 862 CE2 TYR A 54 7.637 -12.547 2.080 1.00 0.00 C ATOM 863 CZ TYR A 54 7.820 -11.323 1.470 1.00 0.00 C ATOM 864 OH TYR A 54 6.731 -10.615 1.019 1.00 0.00 O ATOM 0 H TYR A 54 12.928 -15.280 3.232 1.00 0.00 H new ATOM 0 HA TYR A 54 11.566 -14.368 0.931 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.870 -14.409 3.434 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.777 -12.918 3.586 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.172 -11.114 1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.586 -14.212 3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.229 -9.849 0.834 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.642 -12.949 2.202 1.00 0.00 H new ATOM 0 HH TYR A 54 5.912 -11.119 1.207 1.00 0.00 H new ATOM 874 N TYR A 55 13.723 -12.192 2.195 1.00 0.00 N ATOM 875 CA TYR A 55 14.565 -11.051 1.858 1.00 0.00 C ATOM 876 C TYR A 55 15.547 -11.407 0.746 1.00 0.00 C ATOM 877 O TYR A 55 16.116 -10.528 0.098 1.00 0.00 O ATOM 878 CB TYR A 55 15.329 -10.572 3.094 1.00 0.00 C ATOM 879 CG TYR A 55 14.497 -9.724 4.029 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.080 -8.451 3.660 1.00 0.00 C ATOM 881 CD2 TYR A 55 14.128 -10.196 5.283 1.00 0.00 C ATOM 882 CE1 TYR A 55 13.320 -7.673 4.511 1.00 0.00 C ATOM 883 CE2 TYR A 55 13.367 -9.425 6.141 1.00 0.00 C ATOM 884 CZ TYR A 55 12.965 -8.165 5.750 1.00 0.00 C ATOM 885 OH TYR A 55 12.208 -7.393 6.602 1.00 0.00 O ATOM 0 H TYR A 55 13.747 -12.457 3.180 1.00 0.00 H new ATOM 0 HA TYR A 55 13.919 -10.248 1.504 1.00 0.00 H new ATOM 0 HB2 TYR A 55 15.702 -11.439 3.639 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.199 -9.998 2.774 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.355 -8.063 2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 55 14.441 -11.182 5.592 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.005 -6.685 4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.089 -9.807 7.112 1.00 0.00 H new ATOM 0 HH TYR A 55 12.044 -7.887 7.433 1.00 0.00 H new ATOM 895 N LEU A 56 15.741 -12.704 0.530 1.00 0.00 N ATOM 896 CA LEU A 56 16.653 -13.179 -0.504 1.00 0.00 C ATOM 897 C LEU A 56 16.039 -13.013 -1.890 1.00 0.00 C ATOM 898 O LEU A 56 16.661 -12.455 -2.795 1.00 0.00 O ATOM 899 CB LEU A 56 17.007 -14.648 -0.263 1.00 0.00 C ATOM 900 CG LEU A 56 18.076 -14.915 0.797 1.00 0.00 C ATOM 901 CD1 LEU A 56 18.393 -16.401 0.872 1.00 0.00 C ATOM 902 CD2 LEU A 56 19.335 -14.114 0.498 1.00 0.00 C ATOM 0 H LEU A 56 15.279 -13.445 1.057 1.00 0.00 H new ATOM 0 HA LEU A 56 17.562 -12.579 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.099 -15.178 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.343 -15.080 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 56 17.688 -14.597 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.156 -16.572 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.490 -16.953 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.761 -16.744 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.085 -14.316 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.725 -14.401 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.097 -13.050 0.495 1.00 0.00 H new ATOM 914 N THR A 57 14.812 -13.500 -2.051 1.00 0.00 N ATOM 915 CA THR A 57 14.112 -13.404 -3.326 1.00 0.00 C ATOM 916 C THR A 57 13.723 -11.963 -3.633 1.00 0.00 C ATOM 917 O THR A 57 14.237 -11.358 -4.574 1.00 0.00 O ATOM 918 CB THR A 57 12.846 -14.280 -3.338 1.00 0.00 C ATOM 919 OG1 THR A 57 13.042 -15.438 -2.519 1.00 0.00 O ATOM 920 CG2 THR A 57 12.498 -14.709 -4.756 1.00 0.00 C ATOM 0 H THR A 57 14.283 -13.965 -1.314 1.00 0.00 H new ATOM 0 HA THR A 57 14.800 -13.762 -4.092 1.00 0.00 H new ATOM 0 HB THR A 57 12.020 -13.690 -2.940 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.175 -15.758 -2.192 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.600 -15.327 -4.739 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.319 -13.826 -5.370 1.00 0.00 H new ATOM 0 HG23 THR A 57 13.325 -15.282 -5.176 1.00 0.00 H new ATOM 928 N ILE A 58 12.812 -11.418 -2.833 1.00 0.00 N ATOM 929 CA ILE A 58 12.356 -10.046 -3.019 1.00 0.00 C ATOM 930 C ILE A 58 13.347 -9.052 -2.425 1.00 0.00 C ATOM 931 O ILE A 58 13.555 -9.015 -1.212 1.00 0.00 O ATOM 932 CB ILE A 58 10.973 -9.821 -2.380 1.00 0.00 C ATOM 933 CG1 ILE A 58 9.882 -10.479 -3.226 1.00 0.00 C ATOM 934 CG2 ILE A 58 10.700 -8.333 -2.217 1.00 0.00 C ATOM 935 CD1 ILE A 58 10.235 -11.876 -3.687 1.00 0.00 C ATOM 0 H ILE A 58 12.376 -11.905 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 58 12.281 -9.881 -4.094 1.00 0.00 H new ATOM 0 HB ILE A 58 10.967 -10.282 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.959 -10.518 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.685 -9.856 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.719 -8.191 -1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.463 -7.891 -1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.722 -7.850 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.416 -12.281 -4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.140 -11.841 -4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.403 -12.514 -2.819 1.00 0.00 H new ATOM 947 N LYS A 59 13.955 -8.244 -3.286 1.00 0.00 N ATOM 948 CA LYS A 59 14.923 -7.245 -2.847 1.00 0.00 C ATOM 949 C LYS A 59 14.218 -5.984 -2.356 1.00 0.00 C ATOM 950 O LYS A 59 14.703 -5.301 -1.455 1.00 0.00 O ATOM 951 CB LYS A 59 15.879 -6.895 -3.990 1.00 0.00 C ATOM 952 CG LYS A 59 16.978 -7.923 -4.199 1.00 0.00 C ATOM 953 CD LYS A 59 18.052 -7.816 -3.130 1.00 0.00 C ATOM 954 CE LYS A 59 19.095 -6.769 -3.490 1.00 0.00 C ATOM 955 NZ LYS A 59 20.005 -6.477 -2.348 1.00 0.00 N ATOM 0 H LYS A 59 13.795 -8.261 -4.293 1.00 0.00 H new ATOM 0 HA LYS A 59 15.494 -7.667 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.307 -6.794 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.334 -5.925 -3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.548 -8.925 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.427 -7.782 -5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.592 -7.560 -2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.536 -8.784 -3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 59 19.680 -7.117 -4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.596 -5.851 -3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 20.701 -5.759 -2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 19.450 -6.121 -1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 20.501 -7.347 -2.068 1.00 0.00 H new ATOM 969 N LYS A 60 13.071 -5.682 -2.954 1.00 0.00 N ATOM 970 CA LYS A 60 12.297 -4.505 -2.576 1.00 0.00 C ATOM 971 C LYS A 60 10.954 -4.907 -1.975 1.00 0.00 C ATOM 972 O LYS A 60 9.898 -4.733 -2.584 1.00 0.00 O ATOM 973 CB LYS A 60 12.075 -3.604 -3.793 1.00 0.00 C ATOM 974 CG LYS A 60 12.012 -4.361 -5.108 1.00 0.00 C ATOM 975 CD LYS A 60 10.737 -5.180 -5.220 1.00 0.00 C ATOM 976 CE LYS A 60 10.607 -5.822 -6.593 1.00 0.00 C ATOM 977 NZ LYS A 60 10.118 -4.855 -7.614 1.00 0.00 N ATOM 0 H LYS A 60 12.656 -6.236 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 60 12.862 -3.955 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.147 -3.049 -3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.880 -2.871 -3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.067 -3.656 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.877 -5.019 -5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.732 -5.954 -4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.875 -4.540 -5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.575 -6.218 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.921 -6.667 -6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.043 -5.331 -8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.183 -4.496 -7.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.786 -4.061 -7.688 1.00 0.00 H new ATOM 991 N PRO A 61 10.992 -5.456 -0.752 1.00 0.00 N ATOM 992 CA PRO A 61 9.786 -5.892 -0.042 1.00 0.00 C ATOM 993 C PRO A 61 8.921 -4.719 0.405 1.00 0.00 C ATOM 994 O PRO A 61 9.432 -3.702 0.874 1.00 0.00 O ATOM 995 CB PRO A 61 10.341 -6.641 1.172 1.00 0.00 C ATOM 996 CG PRO A 61 11.692 -6.054 1.394 1.00 0.00 C ATOM 997 CD PRO A 61 12.216 -5.694 0.032 1.00 0.00 C ATOM 0 HA PRO A 61 9.137 -6.498 -0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.703 -6.507 2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.401 -7.713 0.982 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.635 -5.174 2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.351 -6.767 1.890 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.850 -4.808 0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.816 -6.499 -0.393 1.00 0.00 H new ATOM 1005 N MET A 62 7.609 -4.867 0.257 1.00 0.00 N ATOM 1006 CA MET A 62 6.673 -3.819 0.648 1.00 0.00 C ATOM 1007 C MET A 62 5.644 -4.351 1.640 1.00 0.00 C ATOM 1008 O MET A 62 4.904 -5.288 1.338 1.00 0.00 O ATOM 1009 CB MET A 62 5.965 -3.252 -0.584 1.00 0.00 C ATOM 1010 CG MET A 62 4.848 -2.278 -0.249 1.00 0.00 C ATOM 1011 SD MET A 62 5.408 -0.904 0.776 1.00 0.00 S ATOM 1012 CE MET A 62 6.518 -0.069 -0.355 1.00 0.00 C ATOM 0 H MET A 62 7.170 -5.702 -0.131 1.00 0.00 H new ATOM 0 HA MET A 62 7.239 -3.023 1.131 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.698 -2.748 -1.214 1.00 0.00 H new ATOM 0 HB3 MET A 62 5.555 -4.076 -1.168 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.423 -1.887 -1.173 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.050 -2.810 0.268 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.779 0.910 0.048 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.423 -0.663 -0.481 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.028 0.055 -1.321 1.00 0.00 H new ATOM 1022 N ASP A 63 5.602 -3.749 2.823 1.00 0.00 N ATOM 1023 CA ASP A 63 4.663 -4.162 3.859 1.00 0.00 C ATOM 1024 C ASP A 63 3.714 -3.023 4.219 1.00 0.00 C ATOM 1025 O ASP A 63 4.027 -1.852 4.007 1.00 0.00 O ATOM 1026 CB ASP A 63 5.417 -4.626 5.106 1.00 0.00 C ATOM 1027 CG ASP A 63 6.732 -3.896 5.292 1.00 0.00 C ATOM 1028 OD1 ASP A 63 6.715 -2.771 5.835 1.00 0.00 O ATOM 1029 OD2 ASP A 63 7.779 -4.449 4.896 1.00 0.00 O ATOM 0 H ASP A 63 6.208 -2.973 3.089 1.00 0.00 H new ATOM 0 HA ASP A 63 4.074 -4.992 3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.791 -4.470 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.606 -5.697 5.035 1.00 0.00 H new ATOM 1034 N MET A 64 2.553 -3.375 4.762 1.00 0.00 N ATOM 1035 CA MET A 64 1.559 -2.382 5.150 1.00 0.00 C ATOM 1036 C MET A 64 2.177 -1.319 6.053 1.00 0.00 C ATOM 1037 O MET A 64 1.792 -0.151 6.004 1.00 0.00 O ATOM 1038 CB MET A 64 0.386 -3.055 5.864 1.00 0.00 C ATOM 1039 CG MET A 64 -0.624 -3.683 4.917 1.00 0.00 C ATOM 1040 SD MET A 64 -1.732 -2.467 4.178 1.00 0.00 S ATOM 1041 CE MET A 64 -3.178 -2.651 5.220 1.00 0.00 C ATOM 0 H MET A 64 2.278 -4.340 4.943 1.00 0.00 H new ATOM 0 HA MET A 64 1.194 -1.897 4.245 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.772 -3.825 6.533 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.121 -2.317 6.486 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.094 -4.214 4.126 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.213 -4.423 5.459 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.955 -1.963 4.888 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.547 -3.675 5.153 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.913 -2.428 6.253 1.00 0.00 H new ATOM 1051 N GLU A 65 3.136 -1.732 6.876 1.00 0.00 N ATOM 1052 CA GLU A 65 3.805 -0.814 7.790 1.00 0.00 C ATOM 1053 C GLU A 65 4.581 0.251 7.021 1.00 0.00 C ATOM 1054 O GLU A 65 4.497 1.441 7.328 1.00 0.00 O ATOM 1055 CB GLU A 65 4.751 -1.581 8.716 1.00 0.00 C ATOM 1056 CG GLU A 65 4.053 -2.223 9.903 1.00 0.00 C ATOM 1057 CD GLU A 65 3.796 -1.242 11.031 1.00 0.00 C ATOM 1058 OE1 GLU A 65 3.692 -0.030 10.751 1.00 0.00 O ATOM 1059 OE2 GLU A 65 3.699 -1.688 12.193 1.00 0.00 O ATOM 0 H GLU A 65 3.467 -2.696 6.928 1.00 0.00 H new ATOM 0 HA GLU A 65 3.042 -0.319 8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.259 -2.356 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.519 -0.900 9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.105 -2.650 9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.662 -3.047 10.275 1.00 0.00 H new ATOM 1066 N LYS A 66 5.337 -0.185 6.019 1.00 0.00 N ATOM 1067 CA LYS A 66 6.128 0.729 5.204 1.00 0.00 C ATOM 1068 C LYS A 66 5.252 1.828 4.611 1.00 0.00 C ATOM 1069 O LYS A 66 5.745 2.889 4.227 1.00 0.00 O ATOM 1070 CB LYS A 66 6.833 -0.036 4.081 1.00 0.00 C ATOM 1071 CG LYS A 66 8.154 0.584 3.658 1.00 0.00 C ATOM 1072 CD LYS A 66 8.677 -0.041 2.376 1.00 0.00 C ATOM 1073 CE LYS A 66 9.513 0.947 1.576 1.00 0.00 C ATOM 1074 NZ LYS A 66 10.952 0.888 1.952 1.00 0.00 N ATOM 0 H LYS A 66 5.418 -1.166 5.752 1.00 0.00 H new ATOM 0 HA LYS A 66 6.877 1.192 5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.010 -1.061 4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.171 -0.086 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.024 1.657 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.889 0.455 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.278 -0.918 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.839 -0.386 1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.407 0.735 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.136 1.957 1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.487 1.576 1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.057 1.115 2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.319 -0.069 1.773 1.00 0.00 H new ATOM 1088 N ILE A 67 3.951 1.567 4.541 1.00 0.00 N ATOM 1089 CA ILE A 67 3.006 2.536 3.998 1.00 0.00 C ATOM 1090 C ILE A 67 2.410 3.401 5.103 1.00 0.00 C ATOM 1091 O ILE A 67 2.644 4.609 5.154 1.00 0.00 O ATOM 1092 CB ILE A 67 1.865 1.841 3.233 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.368 1.321 1.885 1.00 0.00 C ATOM 1094 CG2 ILE A 67 0.699 2.799 3.035 1.00 0.00 C ATOM 1095 CD1 ILE A 67 1.583 0.138 1.362 1.00 0.00 C ATOM 0 H ILE A 67 3.527 0.693 4.853 1.00 0.00 H new ATOM 0 HA ILE A 67 3.564 3.168 3.307 1.00 0.00 H new ATOM 0 HB ILE A 67 1.517 0.992 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.323 2.128 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.416 1.037 1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.100 2.293 2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.328 3.126 4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.033 3.665 2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.995 -0.177 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.648 -0.685 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.539 0.423 1.232 1.00 0.00 H new ATOM 1107 N ARG A 68 1.640 2.775 5.986 1.00 0.00 N ATOM 1108 CA ARG A 68 1.010 3.487 7.091 1.00 0.00 C ATOM 1109 C ARG A 68 2.034 4.323 7.854 1.00 0.00 C ATOM 1110 O ARG A 68 1.791 5.489 8.164 1.00 0.00 O ATOM 1111 CB ARG A 68 0.331 2.499 8.043 1.00 0.00 C ATOM 1112 CG ARG A 68 -0.883 3.074 8.753 1.00 0.00 C ATOM 1113 CD ARG A 68 -0.484 3.851 9.998 1.00 0.00 C ATOM 1114 NE ARG A 68 -1.647 4.294 10.763 1.00 0.00 N ATOM 1115 CZ ARG A 68 -1.605 4.597 12.055 1.00 0.00 C ATOM 1116 NH1 ARG A 68 -0.464 4.505 12.724 1.00 0.00 N ATOM 1117 NH2 ARG A 68 -2.705 4.992 12.682 1.00 0.00 N ATOM 0 H ARG A 68 1.437 1.776 5.958 1.00 0.00 H new ATOM 0 HA ARG A 68 0.257 4.156 6.676 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.028 1.616 7.481 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.055 2.170 8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.427 3.729 8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.561 2.266 9.029 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.148 3.226 10.629 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.111 4.717 9.709 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.541 4.375 10.278 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.384 4.201 12.246 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.434 4.738 13.716 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.585 5.063 12.172 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.671 5.224 13.675 1.00 0.00 H new ATOM 1131 N SER A 69 3.178 3.717 8.154 1.00 0.00 N ATOM 1132 CA SER A 69 4.238 4.403 8.884 1.00 0.00 C ATOM 1133 C SER A 69 4.638 5.694 8.176 1.00 0.00 C ATOM 1134 O SER A 69 4.383 6.792 8.671 1.00 0.00 O ATOM 1135 CB SER A 69 5.457 3.491 9.033 1.00 0.00 C ATOM 1136 OG SER A 69 6.469 4.114 9.804 1.00 0.00 O ATOM 0 H SER A 69 3.395 2.752 7.903 1.00 0.00 H new ATOM 0 HA SER A 69 3.859 4.655 9.874 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.159 2.555 9.506 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.849 3.239 8.048 1.00 0.00 H new ATOM 0 HG SER A 69 7.236 3.510 9.886 1.00 0.00 H new ATOM 1142 N HIS A 70 5.267 5.553 7.013 1.00 0.00 N ATOM 1143 CA HIS A 70 5.702 6.707 6.234 1.00 0.00 C ATOM 1144 C HIS A 70 4.555 7.692 6.035 1.00 0.00 C ATOM 1145 O HIS A 70 4.750 8.906 6.087 1.00 0.00 O ATOM 1146 CB HIS A 70 6.246 6.257 4.878 1.00 0.00 C ATOM 1147 CG HIS A 70 7.614 5.652 4.952 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.876 4.460 5.594 1.00 0.00 N ATOM 1149 CD2 HIS A 70 8.799 6.079 4.457 1.00 0.00 C ATOM 1150 CE1 HIS A 70 9.163 4.182 5.494 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.746 5.149 4.807 1.00 0.00 N ATOM 0 H HIS A 70 5.487 4.651 6.590 1.00 0.00 H new ATOM 0 HA HIS A 70 6.496 7.209 6.787 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.559 5.530 4.443 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.272 7.113 4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.968 6.983 3.892 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.655 3.313 5.904 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.738 5.196 4.575 1.00 0.00 H new ATOM 1160 N MET A 71 3.358 7.161 5.804 1.00 0.00 N ATOM 1161 CA MET A 71 2.180 7.994 5.597 1.00 0.00 C ATOM 1162 C MET A 71 2.018 8.999 6.733 1.00 0.00 C ATOM 1163 O MET A 71 1.887 10.200 6.498 1.00 0.00 O ATOM 1164 CB MET A 71 0.926 7.124 5.488 1.00 0.00 C ATOM 1165 CG MET A 71 -0.369 7.898 5.668 1.00 0.00 C ATOM 1166 SD MET A 71 -1.822 6.942 5.193 1.00 0.00 S ATOM 1167 CE MET A 71 -1.831 5.684 6.467 1.00 0.00 C ATOM 0 H MET A 71 3.179 6.158 5.756 1.00 0.00 H new ATOM 0 HA MET A 71 2.314 8.544 4.665 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.916 6.637 4.513 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.975 6.335 6.238 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.464 8.202 6.710 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.328 8.810 5.072 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.726 4.701 6.008 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.001 5.855 7.153 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.771 5.730 7.017 1.00 0.00 H new ATOM 1177 N MET A 72 2.028 8.500 7.965 1.00 0.00 N ATOM 1178 CA MET A 72 1.883 9.355 9.137 1.00 0.00 C ATOM 1179 C MET A 72 3.070 10.304 9.267 1.00 0.00 C ATOM 1180 O MET A 72 3.076 11.193 10.119 1.00 0.00 O ATOM 1181 CB MET A 72 1.753 8.506 10.402 1.00 0.00 C ATOM 1182 CG MET A 72 0.403 7.820 10.537 1.00 0.00 C ATOM 1183 SD MET A 72 -0.890 8.938 11.112 1.00 0.00 S ATOM 1184 CE MET A 72 -2.355 8.091 10.525 1.00 0.00 C ATOM 0 H MET A 72 2.135 7.508 8.177 1.00 0.00 H new ATOM 0 HA MET A 72 0.977 9.949 9.013 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.538 7.749 10.404 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.918 9.139 11.274 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.114 7.402 9.573 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.492 6.985 11.232 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.936 8.764 9.895 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.062 7.215 9.947 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.960 7.778 11.376 1.00 0.00 H new ATOM 1194 N ALA A 73 4.074 10.109 8.418 1.00 0.00 N ATOM 1195 CA ALA A 73 5.265 10.949 8.438 1.00 0.00 C ATOM 1196 C ALA A 73 5.259 11.939 7.279 1.00 0.00 C ATOM 1197 O ALA A 73 6.250 12.623 7.029 1.00 0.00 O ATOM 1198 CB ALA A 73 6.519 10.087 8.393 1.00 0.00 C ATOM 0 H ALA A 73 4.086 9.377 7.708 1.00 0.00 H new ATOM 0 HA ALA A 73 5.262 11.519 9.367 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.401 10.727 8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.536 9.424 9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.519 9.492 7.480 1.00 0.00 H new ATOM 1204 N ASN A 74 4.135 12.008 6.572 1.00 0.00 N ATOM 1205 CA ASN A 74 4.001 12.914 5.437 1.00 0.00 C ATOM 1206 C ASN A 74 5.225 12.835 4.530 1.00 0.00 C ATOM 1207 O ASN A 74 5.784 13.858 4.133 1.00 0.00 O ATOM 1208 CB ASN A 74 3.805 14.351 5.925 1.00 0.00 C ATOM 1209 CG ASN A 74 2.580 14.501 6.805 1.00 0.00 C ATOM 1210 OD1 ASN A 74 1.886 13.525 7.093 1.00 0.00 O ATOM 1211 ND2 ASN A 74 2.308 15.727 7.237 1.00 0.00 N ATOM 0 H ASN A 74 3.305 11.448 6.765 1.00 0.00 H new ATOM 0 HA ASN A 74 3.126 12.610 4.863 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.688 14.667 6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.715 15.015 5.065 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.496 15.889 7.833 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.911 16.506 6.973 1.00 0.00 H new ATOM 1218 N LYS A 75 5.637 11.614 4.206 1.00 0.00 N ATOM 1219 CA LYS A 75 6.794 11.400 3.345 1.00 0.00 C ATOM 1220 C LYS A 75 6.358 11.093 1.915 1.00 0.00 C ATOM 1221 O LYS A 75 7.190 10.830 1.046 1.00 0.00 O ATOM 1222 CB LYS A 75 7.652 10.254 3.885 1.00 0.00 C ATOM 1223 CG LYS A 75 8.584 10.670 5.010 1.00 0.00 C ATOM 1224 CD LYS A 75 9.556 9.559 5.370 1.00 0.00 C ATOM 1225 CE LYS A 75 10.257 9.837 6.690 1.00 0.00 C ATOM 1226 NZ LYS A 75 11.032 11.109 6.650 1.00 0.00 N ATOM 0 H LYS A 75 5.186 10.757 4.527 1.00 0.00 H new ATOM 0 HA LYS A 75 7.385 12.316 3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.998 9.458 4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.244 9.839 3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.140 11.559 4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.998 10.940 5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.020 8.612 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.298 9.453 4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.518 9.887 7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.927 9.011 6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.589 11.204 7.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.672 11.100 5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.377 11.912 6.569 1.00 0.00 H new ATOM 1240 N TYR A 76 5.052 11.129 1.679 1.00 0.00 N ATOM 1241 CA TYR A 76 4.506 10.854 0.355 1.00 0.00 C ATOM 1242 C TYR A 76 4.422 12.130 -0.475 1.00 0.00 C ATOM 1243 O TYR A 76 4.866 13.194 -0.045 1.00 0.00 O ATOM 1244 CB TYR A 76 3.121 10.216 0.474 1.00 0.00 C ATOM 1245 CG TYR A 76 2.179 10.979 1.377 1.00 0.00 C ATOM 1246 CD1 TYR A 76 1.716 12.241 1.025 1.00 0.00 C ATOM 1247 CD2 TYR A 76 1.750 10.438 2.583 1.00 0.00 C ATOM 1248 CE1 TYR A 76 0.856 12.942 1.847 1.00 0.00 C ATOM 1249 CE2 TYR A 76 0.889 11.131 3.411 1.00 0.00 C ATOM 1250 CZ TYR A 76 0.445 12.383 3.039 1.00 0.00 C ATOM 1251 OH TYR A 76 -0.413 13.078 3.861 1.00 0.00 O ATOM 0 H TYR A 76 4.351 11.346 2.387 1.00 0.00 H new ATOM 0 HA TYR A 76 5.176 10.158 -0.150 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.678 10.141 -0.519 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.230 9.199 0.852 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.035 12.681 0.092 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.096 9.458 2.878 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.507 13.922 1.558 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.565 10.695 4.345 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.605 12.544 4.660 1.00 0.00 H new ATOM 1261 N GLN A 77 3.848 12.015 -1.669 1.00 0.00 N ATOM 1262 CA GLN A 77 3.704 13.160 -2.561 1.00 0.00 C ATOM 1263 C GLN A 77 2.272 13.276 -3.071 1.00 0.00 C ATOM 1264 O GLN A 77 1.778 14.376 -3.320 1.00 0.00 O ATOM 1265 CB GLN A 77 4.670 13.038 -3.740 1.00 0.00 C ATOM 1266 CG GLN A 77 6.134 13.108 -3.338 1.00 0.00 C ATOM 1267 CD GLN A 77 6.683 11.766 -2.896 1.00 0.00 C ATOM 1268 OE1 GLN A 77 5.949 10.919 -2.386 1.00 0.00 O ATOM 1269 NE2 GLN A 77 7.981 11.564 -3.089 1.00 0.00 N ATOM 0 H GLN A 77 3.475 11.141 -2.041 1.00 0.00 H new ATOM 0 HA GLN A 77 3.943 14.061 -1.996 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.487 12.093 -4.252 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.460 13.834 -4.455 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.721 13.477 -4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.250 13.828 -2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.553 12.293 -3.515 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.406 10.680 -2.811 1.00 0.00 H new ATOM 1278 N ASP A 78 1.609 12.135 -3.225 1.00 0.00 N ATOM 1279 CA ASP A 78 0.233 12.108 -3.705 1.00 0.00 C ATOM 1280 C ASP A 78 -0.386 10.728 -3.507 1.00 0.00 C ATOM 1281 O ASP A 78 0.315 9.760 -3.208 1.00 0.00 O ATOM 1282 CB ASP A 78 0.178 12.498 -5.183 1.00 0.00 C ATOM 1283 CG ASP A 78 -1.200 12.302 -5.783 1.00 0.00 C ATOM 1284 OD1 ASP A 78 -1.490 11.180 -6.250 1.00 0.00 O ATOM 1285 OD2 ASP A 78 -1.989 13.269 -5.786 1.00 0.00 O ATOM 0 H ASP A 78 2.003 11.216 -3.024 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.342 12.830 -3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.473 13.542 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.902 11.903 -5.740 1.00 0.00 H new ATOM 1290 N ILE A 79 -1.701 10.645 -3.675 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.413 9.383 -3.515 1.00 0.00 C ATOM 1292 C ILE A 79 -1.698 8.252 -4.246 1.00 0.00 C ATOM 1293 O ILE A 79 -1.415 7.204 -3.665 1.00 0.00 O ATOM 1294 CB ILE A 79 -3.859 9.483 -4.034 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -4.720 10.288 -3.059 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.444 8.094 -4.243 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.225 9.477 -1.886 1.00 0.00 C ATOM 0 H ILE A 79 -2.295 11.436 -3.922 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.434 9.165 -2.447 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.850 10.000 -4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.139 11.131 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.572 10.703 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.467 8.181 -4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.842 7.552 -4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.443 7.553 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.828 10.112 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.834 8.650 -2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.378 9.084 -1.324 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.408 8.472 -5.524 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.723 7.472 -6.335 1.00 0.00 C ATOM 1311 C ASP A 80 0.540 6.978 -5.637 1.00 0.00 C ATOM 1312 O ASP A 80 0.998 5.861 -5.879 1.00 0.00 O ATOM 1313 CB ASP A 80 -0.370 8.052 -7.706 1.00 0.00 C ATOM 1314 CG ASP A 80 -1.499 7.901 -8.707 1.00 0.00 C ATOM 1315 OD1 ASP A 80 -2.244 6.903 -8.615 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -1.637 8.781 -9.583 1.00 0.00 O ATOM 0 H ASP A 80 -1.636 9.333 -6.020 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.396 6.625 -6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.123 9.108 -7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.521 7.554 -8.089 1.00 0.00 H new ATOM 1321 N SER A 81 1.098 7.818 -4.771 1.00 0.00 N ATOM 1322 CA SER A 81 2.312 7.468 -4.042 1.00 0.00 C ATOM 1323 C SER A 81 2.070 6.270 -3.128 1.00 0.00 C ATOM 1324 O SER A 81 2.944 5.420 -2.958 1.00 0.00 O ATOM 1325 CB SER A 81 2.798 8.662 -3.218 1.00 0.00 C ATOM 1326 OG SER A 81 4.201 8.608 -3.022 1.00 0.00 O ATOM 0 H SER A 81 0.729 8.745 -4.557 1.00 0.00 H new ATOM 0 HA SER A 81 3.079 7.200 -4.769 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.534 9.590 -3.725 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.293 8.672 -2.252 1.00 0.00 H new ATOM 0 HG SER A 81 4.541 9.509 -2.842 1.00 0.00 H new ATOM 1332 N MET A 82 0.878 6.211 -2.544 1.00 0.00 N ATOM 1333 CA MET A 82 0.520 5.117 -1.649 1.00 0.00 C ATOM 1334 C MET A 82 -0.046 3.936 -2.432 1.00 0.00 C ATOM 1335 O MET A 82 0.155 2.779 -2.062 1.00 0.00 O ATOM 1336 CB MET A 82 -0.499 5.591 -0.611 1.00 0.00 C ATOM 1337 CG MET A 82 -0.884 4.520 0.397 1.00 0.00 C ATOM 1338 SD MET A 82 -2.295 3.535 -0.141 1.00 0.00 S ATOM 1339 CE MET A 82 -3.654 4.540 0.452 1.00 0.00 C ATOM 0 H MET A 82 0.144 6.907 -2.674 1.00 0.00 H new ATOM 0 HA MET A 82 1.425 4.790 -1.136 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.090 6.449 -0.078 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.397 5.933 -1.126 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.031 3.863 0.567 1.00 0.00 H new ATOM 0 HG3 MET A 82 -1.118 4.992 1.351 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.367 3.910 0.984 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.273 5.306 1.127 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.150 5.016 -0.394 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.755 4.236 -3.515 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.350 3.199 -4.351 1.00 0.00 C ATOM 1351 C VAL A 83 -0.281 2.278 -4.927 1.00 0.00 C ATOM 1352 O VAL A 83 -0.366 1.057 -4.800 1.00 0.00 O ATOM 1353 CB VAL A 83 -2.164 3.809 -5.507 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.637 2.721 -6.459 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.342 4.606 -4.967 1.00 0.00 C ATOM 0 H VAL A 83 -0.932 5.188 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.018 2.621 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.519 4.490 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.210 3.171 -7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.774 2.198 -6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.266 2.013 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.906 5.030 -5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.990 3.949 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.975 5.411 -4.330 1.00 0.00 H new ATOM 1365 N GLU A 84 0.726 2.871 -5.560 1.00 0.00 N ATOM 1366 CA GLU A 84 1.813 2.103 -6.156 1.00 0.00 C ATOM 1367 C GLU A 84 2.350 1.068 -5.172 1.00 0.00 C ATOM 1368 O GLU A 84 2.523 -0.101 -5.517 1.00 0.00 O ATOM 1369 CB GLU A 84 2.942 3.034 -6.601 1.00 0.00 C ATOM 1370 CG GLU A 84 2.621 3.820 -7.862 1.00 0.00 C ATOM 1371 CD GLU A 84 2.146 2.934 -8.997 1.00 0.00 C ATOM 1372 OE1 GLU A 84 3.001 2.408 -9.739 1.00 0.00 O ATOM 1373 OE2 GLU A 84 0.916 2.766 -9.142 1.00 0.00 O ATOM 0 H GLU A 84 0.812 3.881 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 84 1.419 1.581 -7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.165 3.732 -5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.843 2.444 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.853 4.560 -7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.508 4.367 -8.180 1.00 0.00 H new ATOM 1380 N ASP A 85 2.614 1.507 -3.946 1.00 0.00 N ATOM 1381 CA ASP A 85 3.131 0.619 -2.911 1.00 0.00 C ATOM 1382 C ASP A 85 2.263 -0.628 -2.780 1.00 0.00 C ATOM 1383 O ASP A 85 2.697 -1.735 -3.099 1.00 0.00 O ATOM 1384 CB ASP A 85 3.200 1.351 -1.570 1.00 0.00 C ATOM 1385 CG ASP A 85 4.243 2.451 -1.564 1.00 0.00 C ATOM 1386 OD1 ASP A 85 4.647 2.892 -2.660 1.00 0.00 O ATOM 1387 OD2 ASP A 85 4.656 2.872 -0.462 1.00 0.00 O ATOM 0 H ASP A 85 2.479 2.472 -3.645 1.00 0.00 H new ATOM 0 HA ASP A 85 4.136 0.311 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.224 1.779 -1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.427 0.635 -0.780 1.00 0.00 H new ATOM 1392 N PHE A 86 1.035 -0.441 -2.308 1.00 0.00 N ATOM 1393 CA PHE A 86 0.106 -1.551 -2.133 1.00 0.00 C ATOM 1394 C PHE A 86 0.209 -2.535 -3.295 1.00 0.00 C ATOM 1395 O PHE A 86 0.405 -3.734 -3.093 1.00 0.00 O ATOM 1396 CB PHE A 86 -1.328 -1.030 -2.017 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.745 -0.731 -0.606 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -1.493 0.511 -0.044 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -2.388 -1.690 0.159 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -1.875 0.789 1.255 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.773 -1.418 1.459 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.516 -0.176 2.007 1.00 0.00 C ATOM 0 H PHE A 86 0.660 0.469 -2.040 1.00 0.00 H new ATOM 0 HA PHE A 86 0.371 -2.073 -1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.427 -0.125 -2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.009 -1.768 -2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.993 1.270 -0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.591 -2.662 -0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.672 1.760 1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.274 -2.175 2.045 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.816 0.040 3.022 1.00 0.00 H new ATOM 1412 N VAL A 87 0.074 -2.020 -4.513 1.00 0.00 N ATOM 1413 CA VAL A 87 0.153 -2.852 -5.708 1.00 0.00 C ATOM 1414 C VAL A 87 1.369 -3.770 -5.659 1.00 0.00 C ATOM 1415 O VAL A 87 1.275 -4.958 -5.967 1.00 0.00 O ATOM 1416 CB VAL A 87 0.222 -1.994 -6.985 1.00 0.00 C ATOM 1417 CG1 VAL A 87 0.280 -2.880 -8.221 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.966 -1.046 -7.055 1.00 0.00 C ATOM 0 H VAL A 87 -0.091 -1.031 -4.698 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.754 -3.456 -5.734 1.00 0.00 H new ATOM 0 HB VAL A 87 1.133 -1.397 -6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.328 -2.256 -9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.165 -3.514 -8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.612 -3.505 -8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.901 -0.448 -7.964 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.891 -1.622 -7.066 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.958 -0.388 -6.186 1.00 0.00 H new ATOM 1428 N MET A 88 2.510 -3.212 -5.270 1.00 0.00 N ATOM 1429 CA MET A 88 3.745 -3.982 -5.179 1.00 0.00 C ATOM 1430 C MET A 88 3.637 -5.059 -4.104 1.00 0.00 C ATOM 1431 O MET A 88 4.139 -6.169 -4.273 1.00 0.00 O ATOM 1432 CB MET A 88 4.926 -3.058 -4.875 1.00 0.00 C ATOM 1433 CG MET A 88 6.278 -3.744 -4.984 1.00 0.00 C ATOM 1434 SD MET A 88 7.595 -2.610 -5.468 1.00 0.00 S ATOM 1435 CE MET A 88 7.786 -1.653 -3.966 1.00 0.00 C ATOM 0 H MET A 88 2.605 -2.230 -5.013 1.00 0.00 H new ATOM 0 HA MET A 88 3.912 -4.469 -6.140 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.901 -2.212 -5.562 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.812 -2.655 -3.868 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.529 -4.198 -4.026 1.00 0.00 H new ATOM 0 HG3 MET A 88 6.213 -4.552 -5.713 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.568 -0.906 -4.107 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.846 -1.154 -3.730 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.061 -2.315 -3.145 1.00 0.00 H new ATOM 1445 N MET A 89 2.978 -4.722 -3.000 1.00 0.00 N ATOM 1446 CA MET A 89 2.804 -5.662 -1.898 1.00 0.00 C ATOM 1447 C MET A 89 2.157 -6.955 -2.384 1.00 0.00 C ATOM 1448 O MET A 89 2.294 -8.004 -1.754 1.00 0.00 O ATOM 1449 CB MET A 89 1.951 -5.034 -0.794 1.00 0.00 C ATOM 1450 CG MET A 89 1.907 -5.857 0.482 1.00 0.00 C ATOM 1451 SD MET A 89 1.172 -4.960 1.863 1.00 0.00 S ATOM 1452 CE MET A 89 -0.572 -5.187 1.525 1.00 0.00 C ATOM 0 H MET A 89 2.556 -3.806 -2.845 1.00 0.00 H new ATOM 0 HA MET A 89 3.789 -5.899 -1.496 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.342 -4.043 -0.564 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.935 -4.898 -1.164 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.338 -6.769 0.302 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.919 -6.161 0.749 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.146 -4.415 2.038 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.747 -5.116 0.451 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.887 -6.169 1.879 1.00 0.00 H new ATOM 1462 N PHE A 90 1.451 -6.872 -3.507 1.00 0.00 N ATOM 1463 CA PHE A 90 0.782 -8.036 -4.076 1.00 0.00 C ATOM 1464 C PHE A 90 1.738 -8.840 -4.951 1.00 0.00 C ATOM 1465 O PHE A 90 1.643 -10.064 -5.032 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.434 -7.601 -4.896 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.441 -6.815 -4.106 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.868 -7.260 -2.865 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -1.959 -5.630 -4.603 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.794 -6.539 -2.136 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.885 -4.903 -3.878 1.00 0.00 C ATOM 1472 CZ PHE A 90 -3.302 -5.358 -2.642 1.00 0.00 C ATOM 0 H PHE A 90 1.328 -6.011 -4.041 1.00 0.00 H new ATOM 0 HA PHE A 90 0.450 -8.670 -3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.096 -6.999 -5.740 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.919 -8.486 -5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.472 -8.181 -2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.636 -5.270 -5.568 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.121 -6.898 -1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.282 -3.981 -4.277 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.024 -4.792 -2.072 1.00 0.00 H new ATOM 1482 N ASN A 91 2.661 -8.142 -5.606 1.00 0.00 N ATOM 1483 CA ASN A 91 3.635 -8.790 -6.476 1.00 0.00 C ATOM 1484 C ASN A 91 4.549 -9.713 -5.677 1.00 0.00 C ATOM 1485 O ASN A 91 4.804 -10.848 -6.077 1.00 0.00 O ATOM 1486 CB ASN A 91 4.470 -7.740 -7.213 1.00 0.00 C ATOM 1487 CG ASN A 91 3.843 -7.322 -8.529 1.00 0.00 C ATOM 1488 OD1 ASN A 91 3.776 -8.108 -9.474 1.00 0.00 O ATOM 1489 ND2 ASN A 91 3.380 -6.079 -8.595 1.00 0.00 N ATOM 0 H ASN A 91 2.754 -7.128 -5.550 1.00 0.00 H new ATOM 0 HA ASN A 91 3.091 -9.390 -7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.590 -6.863 -6.576 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.467 -8.138 -7.399 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.947 -5.741 -9.455 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.457 -5.462 -7.786 1.00 0.00 H new ATOM 1496 N ASN A 92 5.039 -9.218 -4.545 1.00 0.00 N ATOM 1497 CA ASN A 92 5.925 -9.999 -3.690 1.00 0.00 C ATOM 1498 C ASN A 92 5.310 -11.357 -3.365 1.00 0.00 C ATOM 1499 O ASN A 92 6.022 -12.318 -3.075 1.00 0.00 O ATOM 1500 CB ASN A 92 6.220 -9.237 -2.396 1.00 0.00 C ATOM 1501 CG ASN A 92 6.574 -7.784 -2.648 1.00 0.00 C ATOM 1502 OD1 ASN A 92 5.950 -6.877 -2.098 1.00 0.00 O ATOM 1503 ND2 ASN A 92 7.581 -7.558 -3.483 1.00 0.00 N ATOM 0 H ASN A 92 4.837 -8.280 -4.199 1.00 0.00 H new ATOM 0 HA ASN A 92 6.858 -10.163 -4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.350 -9.288 -1.741 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.043 -9.723 -1.871 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.866 -6.601 -3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.070 -8.341 -3.916 1.00 0.00 H new ATOM 1510 N ALA A 93 3.984 -11.427 -3.417 1.00 0.00 N ATOM 1511 CA ALA A 93 3.273 -12.667 -3.131 1.00 0.00 C ATOM 1512 C ALA A 93 3.213 -13.562 -4.364 1.00 0.00 C ATOM 1513 O ALA A 93 3.136 -14.786 -4.251 1.00 0.00 O ATOM 1514 CB ALA A 93 1.870 -12.367 -2.625 1.00 0.00 C ATOM 0 H ALA A 93 3.381 -10.640 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 93 3.821 -13.200 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.351 -13.302 -2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.931 -11.774 -1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.321 -11.809 -3.384 1.00 0.00 H new ATOM 1520 N CYS A 94 3.247 -12.945 -5.540 1.00 0.00 N ATOM 1521 CA CYS A 94 3.195 -13.686 -6.795 1.00 0.00 C ATOM 1522 C CYS A 94 4.579 -14.196 -7.183 1.00 0.00 C ATOM 1523 O CYS A 94 4.711 -15.245 -7.816 1.00 0.00 O ATOM 1524 CB CYS A 94 2.632 -12.803 -7.909 1.00 0.00 C ATOM 1525 SG CYS A 94 3.851 -11.702 -8.665 1.00 0.00 S ATOM 0 H CYS A 94 3.310 -11.933 -5.650 1.00 0.00 H new ATOM 0 HA CYS A 94 2.538 -14.544 -6.655 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.205 -13.441 -8.683 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.817 -12.203 -7.505 1.00 0.00 H new ATOM 0 HG CYS A 94 4.635 -11.225 -7.744 1.00 0.00 H new ATOM 1531 N THR A 95 5.609 -13.447 -6.801 1.00 0.00 N ATOM 1532 CA THR A 95 6.982 -13.822 -7.112 1.00 0.00 C ATOM 1533 C THR A 95 7.577 -14.693 -6.011 1.00 0.00 C ATOM 1534 O THR A 95 8.505 -15.466 -6.251 1.00 0.00 O ATOM 1535 CB THR A 95 7.873 -12.580 -7.305 1.00 0.00 C ATOM 1536 OG1 THR A 95 9.231 -12.980 -7.523 1.00 0.00 O ATOM 1537 CG2 THR A 95 7.797 -11.665 -6.092 1.00 0.00 C ATOM 0 H THR A 95 5.518 -12.577 -6.276 1.00 0.00 H new ATOM 0 HA THR A 95 6.952 -14.388 -8.043 1.00 0.00 H new ATOM 0 HB THR A 95 7.512 -12.033 -8.176 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.790 -12.185 -7.646 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.434 -10.795 -6.252 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.767 -11.339 -5.946 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.135 -12.205 -5.207 1.00 0.00 H new ATOM 1545 N TYR A 96 7.037 -14.564 -4.804 1.00 0.00 N ATOM 1546 CA TYR A 96 7.516 -15.339 -3.666 1.00 0.00 C ATOM 1547 C TYR A 96 6.654 -16.579 -3.450 1.00 0.00 C ATOM 1548 O TYR A 96 7.143 -17.706 -3.514 1.00 0.00 O ATOM 1549 CB TYR A 96 7.516 -14.479 -2.401 1.00 0.00 C ATOM 1550 CG TYR A 96 8.334 -15.064 -1.271 1.00 0.00 C ATOM 1551 CD1 TYR A 96 9.677 -15.372 -1.447 1.00 0.00 C ATOM 1552 CD2 TYR A 96 7.763 -15.307 -0.028 1.00 0.00 C ATOM 1553 CE1 TYR A 96 10.427 -15.908 -0.418 1.00 0.00 C ATOM 1554 CE2 TYR A 96 8.506 -15.840 1.007 1.00 0.00 C ATOM 1555 CZ TYR A 96 9.838 -16.140 0.807 1.00 0.00 C ATOM 1556 OH TYR A 96 10.582 -16.671 1.835 1.00 0.00 O ATOM 0 H TYR A 96 6.267 -13.930 -4.589 1.00 0.00 H new ATOM 0 HA TYR A 96 8.535 -15.660 -3.880 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.903 -13.490 -2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.488 -14.345 -2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.143 -15.189 -2.404 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.720 -15.075 0.132 1.00 0.00 H new ATOM 0 HE1 TYR A 96 11.470 -16.144 -0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.047 -16.021 1.968 1.00 0.00 H new ATOM 0 HH TYR A 96 10.104 -17.433 2.225 1.00 0.00 H new ATOM 1566 N ASN A 97 5.368 -16.361 -3.195 1.00 0.00 N ATOM 1567 CA ASN A 97 4.437 -17.461 -2.970 1.00 0.00 C ATOM 1568 C ASN A 97 3.751 -17.868 -4.271 1.00 0.00 C ATOM 1569 O ASN A 97 3.458 -17.026 -5.119 1.00 0.00 O ATOM 1570 CB ASN A 97 3.387 -17.063 -1.930 1.00 0.00 C ATOM 1571 CG ASN A 97 2.058 -17.758 -2.154 1.00 0.00 C ATOM 1572 OD1 ASN A 97 1.928 -18.961 -1.925 1.00 0.00 O ATOM 1573 ND2 ASN A 97 1.064 -17.002 -2.605 1.00 0.00 N ATOM 0 H ASN A 97 4.947 -15.434 -3.139 1.00 0.00 H new ATOM 0 HA ASN A 97 5.004 -18.314 -2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.757 -17.305 -0.934 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.239 -15.984 -1.962 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.147 -17.414 -2.776 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.218 -16.009 -2.781 1.00 0.00 H new ATOM 1580 N GLU A 98 3.498 -19.164 -4.419 1.00 0.00 N ATOM 1581 CA GLU A 98 2.847 -19.682 -5.617 1.00 0.00 C ATOM 1582 C GLU A 98 1.380 -19.262 -5.664 1.00 0.00 C ATOM 1583 O GLU A 98 0.736 -19.050 -4.637 1.00 0.00 O ATOM 1584 CB GLU A 98 2.953 -21.208 -5.663 1.00 0.00 C ATOM 1585 CG GLU A 98 4.383 -21.717 -5.736 1.00 0.00 C ATOM 1586 CD GLU A 98 5.060 -21.751 -4.380 1.00 0.00 C ATOM 1587 OE1 GLU A 98 4.890 -22.755 -3.657 1.00 0.00 O ATOM 1588 OE2 GLU A 98 5.760 -20.774 -4.042 1.00 0.00 O ATOM 0 H GLU A 98 3.733 -19.874 -3.726 1.00 0.00 H new ATOM 0 HA GLU A 98 3.355 -19.263 -6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.473 -21.624 -4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.401 -21.576 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.387 -22.719 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.957 -21.080 -6.409 1.00 0.00 H new ATOM 1595 N PRO A 99 0.840 -19.138 -6.885 1.00 0.00 N ATOM 1596 CA PRO A 99 -0.556 -18.742 -7.097 1.00 0.00 C ATOM 1597 C PRO A 99 -1.537 -19.826 -6.665 1.00 0.00 C ATOM 1598 O PRO A 99 -2.751 -19.629 -6.708 1.00 0.00 O ATOM 1599 CB PRO A 99 -0.636 -18.520 -8.609 1.00 0.00 C ATOM 1600 CG PRO A 99 0.446 -19.373 -9.175 1.00 0.00 C ATOM 1601 CD PRO A 99 1.549 -19.375 -8.154 1.00 0.00 C ATOM 0 HA PRO A 99 -0.825 -17.864 -6.509 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -1.612 -18.807 -9.000 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -0.487 -17.471 -8.863 1.00 0.00 H new ATOM 0 HG2 PRO A 99 0.087 -20.385 -9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.797 -18.977 -10.128 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.085 -20.324 -8.144 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.284 -18.596 -8.355 1.00 0.00 H new ATOM 1609 N GLU A 100 -1.003 -20.970 -6.248 1.00 0.00 N ATOM 1610 CA GLU A 100 -1.834 -22.085 -5.809 1.00 0.00 C ATOM 1611 C GLU A 100 -2.348 -21.855 -4.391 1.00 0.00 C ATOM 1612 O GLU A 100 -3.501 -22.153 -4.080 1.00 0.00 O ATOM 1613 CB GLU A 100 -1.045 -23.394 -5.871 1.00 0.00 C ATOM 1614 CG GLU A 100 -1.154 -24.108 -7.208 1.00 0.00 C ATOM 1615 CD GLU A 100 -0.163 -23.585 -8.231 1.00 0.00 C ATOM 1616 OE1 GLU A 100 1.024 -23.963 -8.154 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -0.577 -22.799 -9.108 1.00 0.00 O ATOM 0 H GLU A 100 0.000 -21.149 -6.205 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.690 -22.153 -6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.005 -23.186 -5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.399 -24.059 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.989 -25.175 -7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.166 -23.993 -7.596 1.00 0.00 H new ATOM 1624 N SER A 101 -1.483 -21.323 -3.533 1.00 0.00 N ATOM 1625 CA SER A 101 -1.846 -21.057 -2.146 1.00 0.00 C ATOM 1626 C SER A 101 -3.123 -20.224 -2.070 1.00 0.00 C ATOM 1627 O SER A 101 -3.609 -19.717 -3.081 1.00 0.00 O ATOM 1628 CB SER A 101 -0.707 -20.331 -1.429 1.00 0.00 C ATOM 1629 OG SER A 101 0.330 -21.231 -1.078 1.00 0.00 O ATOM 0 H SER A 101 -0.525 -21.068 -3.774 1.00 0.00 H new ATOM 0 HA SER A 101 -2.025 -22.012 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.309 -19.546 -2.073 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.089 -19.844 -0.532 1.00 0.00 H new ATOM 0 HG SER A 101 1.199 -20.806 -1.234 1.00 0.00 H new ATOM 1635 N LEU A 102 -3.660 -20.088 -0.863 1.00 0.00 N ATOM 1636 CA LEU A 102 -4.881 -19.317 -0.652 1.00 0.00 C ATOM 1637 C LEU A 102 -4.575 -17.825 -0.565 1.00 0.00 C ATOM 1638 O LEU A 102 -5.319 -16.997 -1.092 1.00 0.00 O ATOM 1639 CB LEU A 102 -5.585 -19.779 0.625 1.00 0.00 C ATOM 1640 CG LEU A 102 -5.025 -19.230 1.937 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -5.635 -17.872 2.251 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -5.280 -20.206 3.076 1.00 0.00 C ATOM 0 H LEU A 102 -3.270 -20.501 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.539 -19.485 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.637 -19.500 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.546 -20.868 0.664 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.948 -19.105 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.225 -17.497 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.402 -17.174 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.717 -17.971 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.874 -19.798 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.353 -20.363 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.796 -21.157 2.855 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.475 -17.490 0.100 1.00 0.00 N ATOM 1655 CA ILE A 103 -3.069 -16.098 0.253 1.00 0.00 C ATOM 1656 C ILE A 103 -3.034 -15.385 -1.095 1.00 0.00 C ATOM 1657 O ILE A 103 -3.081 -14.156 -1.160 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.683 -15.985 0.916 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -1.236 -14.523 0.969 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.665 -16.829 0.163 1.00 0.00 C ATOM 1661 CD1 ILE A 103 0.117 -14.327 1.616 1.00 0.00 C ATOM 0 H ILE A 103 -2.849 -18.163 0.542 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.810 -15.622 0.895 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.754 -16.361 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.206 -14.124 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.979 -13.944 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.309 -16.739 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.979 -17.873 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.595 -16.481 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.369 -13.267 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.087 -14.695 2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.872 -14.878 1.055 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.955 -16.164 -2.168 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.914 -15.607 -3.515 1.00 0.00 C ATOM 1675 C TYR A 104 -4.248 -14.961 -3.878 1.00 0.00 C ATOM 1676 O TYR A 104 -4.299 -13.799 -4.282 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.570 -16.698 -4.530 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.624 -16.228 -5.966 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -1.584 -15.487 -6.515 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -3.715 -16.523 -6.774 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -1.629 -15.055 -7.826 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -3.768 -16.096 -8.087 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.723 -15.362 -8.608 1.00 0.00 C ATOM 1684 OH TYR A 104 -2.773 -14.933 -9.915 1.00 0.00 O ATOM 0 H TYR A 104 -2.918 -17.183 -2.131 1.00 0.00 H new ATOM 0 HA TYR A 104 -2.140 -14.840 -3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.570 -17.077 -4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.261 -17.531 -4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -0.726 -15.245 -5.906 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.536 -17.096 -6.369 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.812 -14.480 -8.237 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.623 -16.336 -8.702 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.610 -15.234 -10.326 1.00 0.00 H new ATOM 1694 N LYS A 105 -5.326 -15.723 -3.730 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.662 -15.227 -4.040 1.00 0.00 C ATOM 1696 C LYS A 105 -6.959 -13.946 -3.268 1.00 0.00 C ATOM 1697 O LYS A 105 -7.697 -13.081 -3.741 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.712 -16.290 -3.708 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.941 -17.289 -4.829 1.00 0.00 C ATOM 1700 CD LYS A 105 -9.151 -18.166 -4.556 1.00 0.00 C ATOM 1701 CE LYS A 105 -10.442 -17.483 -4.981 1.00 0.00 C ATOM 1702 NZ LYS A 105 -11.598 -17.913 -4.146 1.00 0.00 N ATOM 0 H LYS A 105 -5.301 -16.687 -3.397 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.702 -15.005 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.402 -16.827 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.655 -15.796 -3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.082 -16.756 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.056 -17.915 -4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.045 -19.110 -5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.197 -18.404 -3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.322 -16.402 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.646 -17.710 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.459 -17.425 -4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.728 -18.941 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.415 -17.673 -3.151 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.380 -13.829 -2.078 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.581 -12.652 -1.241 1.00 0.00 C ATOM 1718 C ASP A 106 -5.894 -11.431 -1.847 1.00 0.00 C ATOM 1719 O ASP A 106 -6.508 -10.377 -2.007 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.047 -12.905 0.169 1.00 0.00 C ATOM 1721 CG ASP A 106 -7.040 -13.651 1.039 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -7.485 -14.743 0.629 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -7.371 -13.142 2.130 1.00 0.00 O ATOM 0 H ASP A 106 -5.767 -14.536 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.652 -12.455 -1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.121 -13.477 0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -5.802 -11.952 0.638 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.617 -11.583 -2.182 1.00 0.00 N ATOM 1729 CA ALA A 107 -3.848 -10.493 -2.770 1.00 0.00 C ATOM 1730 C ALA A 107 -4.613 -9.836 -3.913 1.00 0.00 C ATOM 1731 O ALA A 107 -4.651 -8.609 -4.025 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.500 -11.004 -3.260 1.00 0.00 C ATOM 0 H ALA A 107 -4.094 -12.449 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.682 -9.741 -1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.936 -10.180 -3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.942 -11.421 -2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.656 -11.777 -4.013 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.222 -10.657 -4.761 1.00 0.00 N ATOM 1739 CA LEU A 108 -5.987 -10.155 -5.897 1.00 0.00 C ATOM 1740 C LEU A 108 -7.206 -9.367 -5.427 1.00 0.00 C ATOM 1741 O LEU A 108 -7.409 -8.220 -5.827 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.429 -11.314 -6.792 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.398 -11.809 -7.807 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -5.758 -13.203 -8.297 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -5.292 -10.841 -8.976 1.00 0.00 C ATOM 0 H LEU A 108 -5.201 -11.674 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.344 -9.487 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.713 -12.151 -6.154 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.324 -11.008 -7.333 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.427 -11.859 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.013 -13.539 -9.019 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.781 -13.891 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.739 -13.180 -8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.554 -11.210 -9.688 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.261 -10.758 -9.468 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.985 -9.861 -8.610 1.00 0.00 H new ATOM 1757 N VAL A 109 -8.014 -9.989 -4.575 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.211 -9.345 -4.048 1.00 0.00 C ATOM 1759 C VAL A 109 -8.907 -7.932 -3.564 1.00 0.00 C ATOM 1760 O VAL A 109 -9.503 -6.962 -4.034 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.818 -10.154 -2.886 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.020 -9.430 -2.301 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.201 -11.551 -3.352 1.00 0.00 C ATOM 0 H VAL A 109 -7.861 -10.938 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.931 -9.299 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.066 -10.251 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.435 -10.017 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.711 -8.454 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.778 -9.299 -3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.628 -12.108 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.935 -11.478 -4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.314 -12.068 -3.718 1.00 0.00 H new ATOM 1773 N LEU A 110 -7.976 -7.822 -2.623 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.592 -6.526 -2.075 1.00 0.00 C ATOM 1775 C LEU A 110 -7.213 -5.555 -3.188 1.00 0.00 C ATOM 1776 O LEU A 110 -7.645 -4.401 -3.194 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.421 -6.688 -1.104 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.703 -7.507 0.157 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.433 -8.186 0.647 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.291 -6.622 1.246 1.00 0.00 C ATOM 0 H LEU A 110 -7.473 -8.614 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.448 -6.118 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.594 -7.155 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.086 -5.696 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.432 -8.279 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.653 -8.764 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.053 -8.851 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.682 -7.430 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.486 -7.221 2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.585 -5.828 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.224 -6.182 0.893 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.405 -6.029 -4.131 1.00 0.00 N ATOM 1793 CA HIS A 111 -5.970 -5.203 -5.252 1.00 0.00 C ATOM 1794 C HIS A 111 -7.165 -4.550 -5.941 1.00 0.00 C ATOM 1795 O HIS A 111 -7.196 -3.334 -6.133 1.00 0.00 O ATOM 1796 CB HIS A 111 -5.185 -6.045 -6.258 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.595 -5.244 -7.378 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -4.243 -5.793 -8.592 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -4.297 -3.926 -7.462 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.752 -4.849 -9.375 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.775 -3.706 -8.713 1.00 0.00 N ATOM 0 H HIS A 111 -6.038 -6.981 -4.141 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.323 -4.417 -4.863 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.384 -6.568 -5.735 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.844 -6.807 -6.675 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -4.443 -3.186 -6.689 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.393 -4.988 -10.384 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.457 -2.806 -9.073 1.00 0.00 H new ATOM 1810 N LYS A 112 -8.147 -5.365 -6.311 1.00 0.00 N ATOM 1811 CA LYS A 112 -9.344 -4.867 -6.978 1.00 0.00 C ATOM 1812 C LYS A 112 -10.059 -3.833 -6.113 1.00 0.00 C ATOM 1813 O LYS A 112 -10.583 -2.841 -6.620 1.00 0.00 O ATOM 1814 CB LYS A 112 -10.293 -6.024 -7.297 1.00 0.00 C ATOM 1815 CG LYS A 112 -9.967 -6.739 -8.597 1.00 0.00 C ATOM 1816 CD LYS A 112 -10.674 -8.080 -8.689 1.00 0.00 C ATOM 1817 CE LYS A 112 -10.084 -8.947 -9.791 1.00 0.00 C ATOM 1818 NZ LYS A 112 -10.594 -10.345 -9.730 1.00 0.00 N ATOM 0 H LYS A 112 -8.137 -6.374 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 112 -9.039 -4.388 -7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -10.262 -6.744 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -11.313 -5.643 -7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -10.260 -6.114 -9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.890 -6.889 -8.670 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.596 -8.600 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -11.735 -7.921 -8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.325 -8.514 -10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.997 -8.953 -9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -10.168 -10.904 -10.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.342 -10.767 -8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.629 -10.342 -9.837 1.00 0.00 H new ATOM 1832 N VAL A 113 -10.074 -4.071 -4.806 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.722 -3.159 -3.870 1.00 0.00 C ATOM 1834 C VAL A 113 -10.107 -1.766 -3.946 1.00 0.00 C ATOM 1835 O VAL A 113 -10.773 -0.800 -4.319 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.621 -3.675 -2.423 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.304 -2.711 -1.464 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.224 -5.067 -2.311 1.00 0.00 C ATOM 0 H VAL A 113 -9.645 -4.888 -4.371 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.773 -3.105 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.568 -3.737 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.223 -3.092 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.823 -1.735 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.356 -2.615 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.144 -5.416 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.274 -5.033 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.687 -5.750 -2.969 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.830 -1.669 -3.590 1.00 0.00 N ATOM 1849 CA LEU A 114 -8.123 -0.394 -3.618 1.00 0.00 C ATOM 1850 C LEU A 114 -8.597 0.467 -4.785 1.00 0.00 C ATOM 1851 O LEU A 114 -9.075 1.585 -4.591 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.615 -0.627 -3.721 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.740 0.627 -3.711 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.696 1.237 -2.319 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -4.335 0.301 -4.197 1.00 0.00 C ATOM 0 H LEU A 114 -8.264 -2.458 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.341 0.134 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.309 -1.266 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.415 -1.178 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 114 -6.178 1.357 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.069 2.128 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.705 1.508 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.283 0.513 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.726 1.205 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.888 -0.447 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.383 -0.089 -5.214 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.464 -0.063 -5.995 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.881 0.655 -7.195 1.00 0.00 C ATOM 1869 C LEU A 115 -10.296 1.203 -7.037 1.00 0.00 C ATOM 1870 O LEU A 115 -10.567 2.354 -7.377 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.811 -0.265 -8.415 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.471 -0.961 -8.654 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.602 -2.010 -9.748 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -6.398 0.057 -9.014 1.00 0.00 C ATOM 0 H LEU A 115 -8.071 -0.987 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.200 1.494 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.582 -1.029 -8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.057 0.320 -9.301 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.174 -1.462 -7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.638 -2.495 -9.904 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.339 -2.756 -9.451 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.922 -1.532 -10.674 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.451 -0.456 -9.181 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.688 0.586 -9.921 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.285 0.771 -8.198 1.00 0.00 H new ATOM 1886 N GLU A 116 -11.193 0.370 -6.519 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.580 0.772 -6.315 1.00 0.00 C ATOM 1888 C GLU A 116 -12.671 1.925 -5.320 1.00 0.00 C ATOM 1889 O GLU A 116 -13.169 3.004 -5.645 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.410 -0.413 -5.817 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.634 -1.485 -6.870 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.354 -2.701 -6.321 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -15.587 -2.628 -6.135 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -13.684 -3.726 -6.077 1.00 0.00 O ATOM 0 H GLU A 116 -10.984 -0.587 -6.233 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.979 1.108 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.911 -0.859 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -14.377 -0.048 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -14.213 -1.065 -7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.672 -1.792 -7.281 1.00 0.00 H new ATOM 1901 N THR A 117 -12.188 1.690 -4.104 1.00 0.00 N ATOM 1902 CA THR A 117 -12.216 2.707 -3.060 1.00 0.00 C ATOM 1903 C THR A 117 -12.005 4.099 -3.644 1.00 0.00 C ATOM 1904 O THR A 117 -12.850 4.981 -3.492 1.00 0.00 O ATOM 1905 CB THR A 117 -11.141 2.443 -1.989 1.00 0.00 C ATOM 1906 OG1 THR A 117 -11.112 1.050 -1.658 1.00 0.00 O ATOM 1907 CG2 THR A 117 -11.412 3.262 -0.737 1.00 0.00 C ATOM 0 H THR A 117 -11.772 0.804 -3.818 1.00 0.00 H new ATOM 0 HA THR A 117 -13.201 2.656 -2.595 1.00 0.00 H new ATOM 0 HB THR A 117 -10.174 2.740 -2.395 1.00 0.00 H new ATOM 0 HG1 THR A 117 -10.425 0.890 -0.978 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.640 3.059 0.005 1.00 0.00 H new ATOM 0 HG22 THR A 117 -11.404 4.323 -0.987 1.00 0.00 H new ATOM 0 HG23 THR A 117 -12.386 2.992 -0.330 1.00 0.00 H new ATOM 1915 N ARG A 118 -10.871 4.290 -4.311 1.00 0.00 N ATOM 1916 CA ARG A 118 -10.549 5.577 -4.917 1.00 0.00 C ATOM 1917 C ARG A 118 -11.804 6.249 -5.466 1.00 0.00 C ATOM 1918 O ARG A 118 -12.458 5.724 -6.368 1.00 0.00 O ATOM 1919 CB ARG A 118 -9.524 5.394 -6.038 1.00 0.00 C ATOM 1920 CG ARG A 118 -8.091 5.290 -5.541 1.00 0.00 C ATOM 1921 CD ARG A 118 -7.533 6.652 -5.161 1.00 0.00 C ATOM 1922 NE ARG A 118 -7.492 7.565 -6.300 1.00 0.00 N ATOM 1923 CZ ARG A 118 -8.494 8.371 -6.633 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -9.609 8.378 -5.916 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -8.381 9.173 -7.684 1.00 0.00 N ATOM 0 H ARG A 118 -10.160 3.571 -4.445 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.123 6.218 -4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.771 4.494 -6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.600 6.233 -6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.051 4.626 -4.678 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.468 4.843 -6.316 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.145 7.086 -4.370 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.528 6.532 -4.757 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.647 7.585 -6.871 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -9.699 7.764 -5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -10.377 8.998 -6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.524 9.171 -8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -9.151 9.791 -7.939 1.00 0.00 H new