USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 72 MET CE :methyl 157:sc= -0.101 (180deg=-0.445) USER MOD Set 1.2: A 89 MET CE :methyl 133:sc= -0.32 (180deg=0) USER MOD Single : A 15 SER OG : rot 25:sc= 0.0312 USER MOD Single : A 17 LYS NZ :NH3+ 148:sc= -0.247 (180deg=-0.379) USER MOD Single : A 20 ASN : amide:sc= 0.677 K(o=0.68,f=-6.9!) USER MOD Single : A 22 THR OG1 : rot -52:sc= 0.91 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -160:sc= -0.137 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 122:sc= 0.255 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -155:sc= 0.0999 USER MOD Single : A 44 TYR OH : rot -102:sc= 1.1 USER MOD Single : A 63 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -167:sc= -0.797 (180deg=-1.57) USER MOD Single : A 88 GLN : amide:sc= 0.794 K(o=0.79,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.467 6.567 5.570 1.00 0.00 N ATOM 204 CA SER A 15 10.392 6.669 4.588 1.00 0.00 C ATOM 205 C SER A 15 10.021 5.269 4.164 1.00 0.00 C ATOM 206 O SER A 15 10.895 4.472 3.834 1.00 0.00 O ATOM 207 CB SER A 15 10.737 7.511 3.357 1.00 0.00 C ATOM 208 OG SER A 15 11.007 8.847 3.732 1.00 0.00 O ATOM 0 HA SER A 15 9.561 7.188 5.066 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.604 7.087 2.850 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.909 7.486 2.648 1.00 0.00 H new ATOM 0 HG SER A 15 11.303 8.871 4.666 1.00 0.00 H new ATOM 214 N LEU A 16 8.721 4.976 4.174 1.00 0.00 N ATOM 215 CA LEU A 16 8.237 3.681 3.704 1.00 0.00 C ATOM 216 C LEU A 16 7.664 3.844 2.305 1.00 0.00 C ATOM 217 O LEU A 16 7.337 4.968 1.928 1.00 0.00 O ATOM 218 CB LEU A 16 7.155 3.181 4.666 1.00 0.00 C ATOM 219 CG LEU A 16 6.748 1.730 4.412 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.930 0.794 4.660 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.591 1.366 5.336 1.00 0.00 C ATOM 0 H LEU A 16 7.992 5.611 4.499 1.00 0.00 H new ATOM 0 HA LEU A 16 9.052 2.958 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.516 3.276 5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.276 3.819 4.577 1.00 0.00 H new ATOM 0 HG LEU A 16 6.436 1.621 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.624 -0.236 4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.748 1.056 3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.262 0.893 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.296 0.332 5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.904 1.482 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.745 2.024 5.136 1.00 0.00 H new ATOM 233 N LYS A 17 7.556 2.730 1.571 1.00 0.00 N ATOM 234 CA LYS A 17 6.898 2.570 0.278 1.00 0.00 C ATOM 235 C LYS A 17 6.085 1.274 0.342 1.00 0.00 C ATOM 236 O LYS A 17 6.515 0.280 0.929 1.00 0.00 O ATOM 237 CB LYS A 17 7.958 2.516 -0.830 1.00 0.00 C ATOM 238 CG LYS A 17 7.550 1.775 -2.102 1.00 0.00 C ATOM 239 CD LYS A 17 6.480 2.541 -2.877 1.00 0.00 C ATOM 240 CE LYS A 17 6.026 1.777 -4.113 1.00 0.00 C ATOM 241 NZ LYS A 17 7.163 1.467 -4.999 1.00 0.00 N ATOM 0 H LYS A 17 7.959 1.851 1.895 1.00 0.00 H new ATOM 0 HA LYS A 17 6.236 3.407 0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.229 3.537 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.854 2.043 -0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.425 1.629 -2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.175 0.785 -1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.624 2.727 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.872 3.514 -3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.535 0.852 -3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.288 2.367 -4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.987 0.565 -5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.272 2.225 -5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.033 1.391 -4.434 1.00 0.00 H new ATOM 255 N VAL A 18 4.897 1.273 -0.264 1.00 0.00 N ATOM 256 CA VAL A 18 4.074 0.074 -0.370 1.00 0.00 C ATOM 257 C VAL A 18 3.570 -0.095 -1.788 1.00 0.00 C ATOM 258 O VAL A 18 3.222 0.902 -2.417 1.00 0.00 O ATOM 259 CB VAL A 18 2.886 0.211 0.568 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.727 -0.698 0.156 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.340 -0.129 1.982 1.00 0.00 C ATOM 0 H VAL A 18 4.482 2.101 -0.692 1.00 0.00 H new ATOM 0 HA VAL A 18 4.672 -0.797 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 18 2.522 1.237 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.898 -0.569 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.399 -0.436 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.056 -1.737 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.497 -0.035 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.716 -1.152 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.132 0.556 2.285 1.00 0.00 H new ATOM 271 N ASP A 19 3.551 -1.367 -2.227 1.00 0.00 N ATOM 272 CA ASP A 19 3.342 -1.844 -3.590 1.00 0.00 C ATOM 273 C ASP A 19 2.287 -2.963 -3.646 1.00 0.00 C ATOM 274 O ASP A 19 1.747 -3.374 -2.622 1.00 0.00 O ATOM 275 CB ASP A 19 4.661 -2.424 -4.124 1.00 0.00 C ATOM 276 CG ASP A 19 5.758 -1.393 -4.342 1.00 0.00 C ATOM 277 OD1 ASP A 19 5.809 -0.849 -5.468 1.00 0.00 O ATOM 278 OD2 ASP A 19 6.536 -1.161 -3.389 1.00 0.00 O ATOM 0 H ASP A 19 3.694 -2.142 -1.580 1.00 0.00 H new ATOM 0 HA ASP A 19 2.999 -0.999 -4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.022 -3.178 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.464 -2.933 -5.068 1.00 0.00 H new ATOM 283 N ASN A 20 2.023 -3.442 -4.873 1.00 0.00 N ATOM 284 CA ASN A 20 1.108 -4.523 -5.219 1.00 0.00 C ATOM 285 C ASN A 20 -0.359 -4.176 -4.977 1.00 0.00 C ATOM 286 O ASN A 20 -0.787 -4.021 -3.836 1.00 0.00 O ATOM 287 CB ASN A 20 1.514 -5.829 -4.542 1.00 0.00 C ATOM 288 CG ASN A 20 0.938 -7.015 -5.312 1.00 0.00 C ATOM 289 OD1 ASN A 20 0.634 -6.910 -6.495 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.773 -8.151 -4.651 1.00 0.00 N ATOM 0 H ASN A 20 2.478 -3.053 -5.699 1.00 0.00 H new ATOM 0 HA ASN A 20 1.194 -4.668 -6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.601 -5.905 -4.500 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.154 -5.843 -3.513 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.385 -8.966 -5.126 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.034 -8.211 -3.667 1.00 0.00 H new ATOM 297 N LEU A 21 -1.123 -4.060 -6.072 1.00 0.00 N ATOM 298 CA LEU A 21 -2.537 -3.721 -6.046 1.00 0.00 C ATOM 299 C LEU A 21 -3.316 -4.591 -7.022 1.00 0.00 C ATOM 300 O LEU A 21 -2.728 -5.302 -7.833 1.00 0.00 O ATOM 301 CB LEU A 21 -2.739 -2.275 -6.495 1.00 0.00 C ATOM 302 CG LEU A 21 -1.853 -1.257 -5.785 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.165 0.103 -6.402 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.090 -1.213 -4.279 1.00 0.00 C ATOM 0 H LEU A 21 -0.761 -4.204 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.888 -3.873 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.553 -2.213 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.782 -2.002 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.808 -1.538 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.553 0.868 -5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.946 0.077 -7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.219 0.337 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.431 -0.471 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.128 -0.945 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.881 -2.192 -3.849 1.00 0.00 H new ATOM 316 N THR A 22 -4.646 -4.519 -6.936 1.00 0.00 N ATOM 317 CA THR A 22 -5.540 -5.219 -7.849 1.00 0.00 C ATOM 318 C THR A 22 -6.444 -4.227 -8.570 1.00 0.00 C ATOM 319 O THR A 22 -7.580 -4.565 -8.877 1.00 0.00 O ATOM 320 CB THR A 22 -6.361 -6.276 -7.110 1.00 0.00 C ATOM 321 OG1 THR A 22 -7.145 -7.018 -8.020 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.259 -5.678 -6.027 1.00 0.00 C ATOM 0 H THR A 22 -5.131 -3.970 -6.226 1.00 0.00 H new ATOM 0 HA THR A 22 -4.935 -5.735 -8.595 1.00 0.00 H new ATOM 0 HB THR A 22 -5.646 -6.933 -6.615 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.668 -6.404 -8.578 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.818 -6.475 -5.536 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.645 -5.159 -5.291 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.956 -4.973 -6.480 1.00 0.00 H new ATOM 329 N TYR A 23 -5.954 -3.010 -8.840 1.00 0.00 N ATOM 330 CA TYR A 23 -6.683 -1.971 -9.557 1.00 0.00 C ATOM 331 C TYR A 23 -7.863 -1.404 -8.765 1.00 0.00 C ATOM 332 O TYR A 23 -8.505 -0.445 -9.192 1.00 0.00 O ATOM 333 CB TYR A 23 -7.104 -2.505 -10.933 1.00 0.00 C ATOM 334 CG TYR A 23 -8.565 -2.327 -11.292 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.544 -3.146 -10.702 1.00 0.00 C ATOM 336 CD2 TYR A 23 -8.938 -1.335 -12.212 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.897 -2.976 -11.038 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.288 -1.162 -12.553 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.273 -1.983 -11.968 1.00 0.00 C ATOM 340 OH TYR A 23 -12.587 -1.818 -12.298 1.00 0.00 O ATOM 0 H TYR A 23 -5.018 -2.720 -8.557 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.013 -1.123 -9.696 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.500 -2.011 -11.694 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.866 -3.568 -10.978 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.256 -3.906 -9.991 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.184 -0.703 -12.658 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.649 -3.605 -10.585 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.572 -0.400 -13.264 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.672 -1.091 -12.950 1.00 0.00 H new ATOM 350 N ARG A 24 -8.147 -1.996 -7.606 1.00 0.00 N ATOM 351 CA ARG A 24 -9.272 -1.614 -6.765 1.00 0.00 C ATOM 352 C ARG A 24 -8.867 -1.539 -5.292 1.00 0.00 C ATOM 353 O ARG A 24 -9.695 -1.235 -4.435 1.00 0.00 O ATOM 354 CB ARG A 24 -10.394 -2.621 -7.033 1.00 0.00 C ATOM 355 CG ARG A 24 -11.683 -2.311 -6.266 1.00 0.00 C ATOM 356 CD ARG A 24 -12.794 -3.239 -6.755 1.00 0.00 C ATOM 357 NE ARG A 24 -14.055 -2.974 -6.056 1.00 0.00 N ATOM 358 CZ ARG A 24 -15.190 -3.641 -6.280 1.00 0.00 C ATOM 359 NH1 ARG A 24 -15.243 -4.611 -7.187 1.00 0.00 N ATOM 360 NH2 ARG A 24 -16.288 -3.334 -5.590 1.00 0.00 N ATOM 0 H ARG A 24 -7.594 -2.763 -7.223 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.623 -0.611 -7.007 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.610 -2.638 -8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.049 -3.619 -6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.525 -2.446 -5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.969 -1.270 -6.417 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.935 -3.107 -7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.500 -4.277 -6.598 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.066 -2.234 -5.354 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.410 -4.854 -7.723 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.117 -5.112 -7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.261 -2.591 -4.892 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.156 -3.842 -5.760 1.00 0.00 H new ATOM 374 N THR A 25 -7.593 -1.813 -4.991 1.00 0.00 N ATOM 375 CA THR A 25 -7.079 -1.699 -3.629 1.00 0.00 C ATOM 376 C THR A 25 -7.236 -0.267 -3.108 1.00 0.00 C ATOM 377 O THR A 25 -7.615 -0.079 -1.957 1.00 0.00 O ATOM 378 CB THR A 25 -5.606 -2.113 -3.609 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.477 -3.457 -3.999 1.00 0.00 O ATOM 380 CG2 THR A 25 -5.020 -1.924 -2.217 1.00 0.00 C ATOM 0 H THR A 25 -6.901 -2.116 -5.676 1.00 0.00 H new ATOM 0 HA THR A 25 -7.651 -2.359 -2.977 1.00 0.00 H new ATOM 0 HB THR A 25 -5.060 -1.482 -4.310 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.615 -3.806 -3.690 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.972 -2.223 -2.220 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.098 -0.876 -1.929 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.570 -2.538 -1.504 1.00 0.00 H new ATOM 387 N SER A 26 -6.951 0.721 -3.961 1.00 0.00 N ATOM 388 CA SER A 26 -7.077 2.156 -3.695 1.00 0.00 C ATOM 389 C SER A 26 -6.277 2.690 -2.489 1.00 0.00 C ATOM 390 O SER A 26 -5.977 1.960 -1.548 1.00 0.00 O ATOM 391 CB SER A 26 -8.561 2.504 -3.567 1.00 0.00 C ATOM 392 OG SER A 26 -9.229 2.230 -4.781 1.00 0.00 O ATOM 0 H SER A 26 -6.609 0.532 -4.903 1.00 0.00 H new ATOM 0 HA SER A 26 -6.622 2.662 -4.547 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.009 1.928 -2.758 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.675 3.557 -3.310 1.00 0.00 H new ATOM 0 HG SER A 26 -10.179 2.454 -4.690 1.00 0.00 H new ATOM 398 N PRO A 27 -5.924 3.987 -2.518 1.00 0.00 N ATOM 399 CA PRO A 27 -5.174 4.665 -1.461 1.00 0.00 C ATOM 400 C PRO A 27 -5.943 4.734 -0.145 1.00 0.00 C ATOM 401 O PRO A 27 -5.329 4.804 0.916 1.00 0.00 O ATOM 402 CB PRO A 27 -4.894 6.072 -1.989 1.00 0.00 C ATOM 403 CG PRO A 27 -5.925 6.289 -3.095 1.00 0.00 C ATOM 404 CD PRO A 27 -6.221 4.891 -3.618 1.00 0.00 C ATOM 0 HA PRO A 27 -4.260 4.115 -1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.997 6.818 -1.201 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.878 6.154 -2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.825 6.768 -2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.533 6.933 -3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.262 4.801 -3.928 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.608 4.661 -4.490 1.00 0.00 H new ATOM 412 N ASP A 28 -7.274 4.718 -0.189 1.00 0.00 N ATOM 413 CA ASP A 28 -8.091 4.844 1.009 1.00 0.00 C ATOM 414 C ASP A 28 -8.035 3.585 1.864 1.00 0.00 C ATOM 415 O ASP A 28 -7.947 3.668 3.090 1.00 0.00 O ATOM 416 CB ASP A 28 -9.527 5.096 0.567 1.00 0.00 C ATOM 417 CG ASP A 28 -10.449 5.513 1.711 1.00 0.00 C ATOM 418 OD1 ASP A 28 -9.955 6.171 2.654 1.00 0.00 O ATOM 419 OD2 ASP A 28 -11.648 5.168 1.633 1.00 0.00 O ATOM 0 H ASP A 28 -7.810 4.618 -1.051 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.712 5.666 1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.533 5.874 -0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.921 4.191 0.104 1.00 0.00 H new ATOM 424 N THR A 29 -8.080 2.409 1.230 1.00 0.00 N ATOM 425 CA THR A 29 -8.026 1.161 1.970 1.00 0.00 C ATOM 426 C THR A 29 -6.637 1.029 2.562 1.00 0.00 C ATOM 427 O THR A 29 -6.487 0.645 3.718 1.00 0.00 O ATOM 428 CB THR A 29 -8.288 -0.025 1.044 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.470 0.204 0.310 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.460 -1.312 1.852 1.00 0.00 C ATOM 0 H THR A 29 -8.153 2.303 0.218 1.00 0.00 H new ATOM 0 HA THR A 29 -8.787 1.165 2.750 1.00 0.00 H new ATOM 0 HB THR A 29 -7.436 -0.131 0.373 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.270 0.175 -0.649 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.646 -2.145 1.174 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.553 -1.506 2.425 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.304 -1.204 2.534 1.00 0.00 H new ATOM 437 N LEU A 30 -5.622 1.355 1.762 1.00 0.00 N ATOM 438 CA LEU A 30 -4.249 1.311 2.218 1.00 0.00 C ATOM 439 C LEU A 30 -4.067 2.282 3.379 1.00 0.00 C ATOM 440 O LEU A 30 -3.256 2.035 4.265 1.00 0.00 O ATOM 441 CB LEU A 30 -3.327 1.717 1.065 1.00 0.00 C ATOM 442 CG LEU A 30 -3.380 0.743 -0.107 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.731 1.406 -1.319 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.644 -0.545 0.235 1.00 0.00 C ATOM 0 H LEU A 30 -5.734 1.652 0.793 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.003 0.302 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.605 2.712 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.302 1.782 1.431 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.418 0.493 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.761 0.722 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.274 2.318 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.695 1.652 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.692 -1.228 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.602 -0.320 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.110 -1.011 1.103 1.00 0.00 H new ATOM 456 N ARG A 31 -4.818 3.389 3.387 1.00 0.00 N ATOM 457 CA ARG A 31 -4.663 4.392 4.424 1.00 0.00 C ATOM 458 C ARG A 31 -4.944 3.775 5.782 1.00 0.00 C ATOM 459 O ARG A 31 -4.091 3.804 6.667 1.00 0.00 O ATOM 460 CB ARG A 31 -5.621 5.563 4.161 1.00 0.00 C ATOM 461 CG ARG A 31 -5.082 6.896 4.691 1.00 0.00 C ATOM 462 CD ARG A 31 -4.560 6.810 6.123 1.00 0.00 C ATOM 463 NE ARG A 31 -4.186 8.138 6.626 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.992 8.934 7.332 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.229 8.557 7.642 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.560 10.126 7.736 1.00 0.00 N ATOM 0 H ARG A 31 -5.531 3.604 2.690 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.639 4.767 4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.799 5.648 3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.583 5.353 4.628 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.279 7.240 4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.873 7.644 4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.324 6.375 6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.696 6.146 6.160 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.245 8.475 6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.576 7.647 7.340 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.831 9.178 8.182 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.614 10.430 7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.175 10.735 8.276 1.00 0.00 H new ATOM 480 N ARG A 32 -6.139 3.211 5.957 1.00 0.00 N ATOM 481 CA ARG A 32 -6.524 2.633 7.244 1.00 0.00 C ATOM 482 C ARG A 32 -5.938 1.241 7.465 1.00 0.00 C ATOM 483 O ARG A 32 -6.038 0.703 8.565 1.00 0.00 O ATOM 484 CB ARG A 32 -8.048 2.618 7.337 1.00 0.00 C ATOM 485 CG ARG A 32 -8.649 1.677 6.292 1.00 0.00 C ATOM 486 CD ARG A 32 -9.904 2.316 5.715 1.00 0.00 C ATOM 487 NE ARG A 32 -10.568 1.423 4.763 1.00 0.00 N ATOM 488 CZ ARG A 32 -11.302 1.849 3.733 1.00 0.00 C ATOM 489 NH1 ARG A 32 -11.485 3.151 3.535 1.00 0.00 N ATOM 490 NH2 ARG A 32 -11.853 0.970 2.903 1.00 0.00 N ATOM 0 H ARG A 32 -6.852 3.142 5.230 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.110 3.254 8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.352 2.302 8.335 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.435 3.626 7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.926 1.484 5.499 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.890 0.715 6.745 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.592 2.565 6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.643 3.251 5.219 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.463 0.417 4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.064 3.828 4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.047 3.473 2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.715 -0.029 3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.414 1.295 2.116 1.00 0.00 H new ATOM 504 N VAL A 33 -5.329 0.653 6.436 1.00 0.00 N ATOM 505 CA VAL A 33 -4.635 -0.627 6.549 1.00 0.00 C ATOM 506 C VAL A 33 -3.191 -0.440 7.010 1.00 0.00 C ATOM 507 O VAL A 33 -2.553 -1.397 7.441 1.00 0.00 O ATOM 508 CB VAL A 33 -4.678 -1.319 5.183 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.617 -2.412 5.040 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.047 -1.967 5.023 1.00 0.00 C ATOM 0 H VAL A 33 -5.304 1.053 5.498 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.132 -1.242 7.299 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.483 -0.563 4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.695 -2.868 4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.626 -1.975 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.774 -3.173 5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.102 -2.467 4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.199 -2.697 5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.821 -1.201 5.080 1.00 0.00 H new ATOM 520 N PHE A 34 -2.671 0.785 6.926 1.00 0.00 N ATOM 521 CA PHE A 34 -1.284 1.050 7.268 1.00 0.00 C ATOM 522 C PHE A 34 -1.158 2.096 8.361 1.00 0.00 C ATOM 523 O PHE A 34 -0.301 1.966 9.231 1.00 0.00 O ATOM 524 CB PHE A 34 -0.561 1.509 6.005 1.00 0.00 C ATOM 525 CG PHE A 34 -0.034 0.374 5.173 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.147 -0.264 5.570 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.707 -0.039 4.016 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.657 -1.326 4.806 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.193 -1.090 3.250 1.00 0.00 C ATOM 530 CZ PHE A 34 0.984 -1.739 3.651 1.00 0.00 C ATOM 0 H PHE A 34 -3.195 1.606 6.623 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.834 0.136 7.656 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.244 2.106 5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.268 2.159 6.286 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.664 0.060 6.461 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.621 0.453 3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.567 -1.823 5.109 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.702 -1.402 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.372 -2.560 3.066 1.00 0.00 H new ATOM 540 N GLU A 35 -1.995 3.133 8.342 1.00 0.00 N ATOM 541 CA GLU A 35 -1.907 4.142 9.378 1.00 0.00 C ATOM 542 C GLU A 35 -2.308 3.552 10.721 1.00 0.00 C ATOM 543 O GLU A 35 -2.015 4.124 11.768 1.00 0.00 O ATOM 544 CB GLU A 35 -2.764 5.365 9.032 1.00 0.00 C ATOM 545 CG GLU A 35 -4.241 5.221 9.397 1.00 0.00 C ATOM 546 CD GLU A 35 -4.523 5.560 10.861 1.00 0.00 C ATOM 547 OE1 GLU A 35 -4.027 6.615 11.320 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.235 4.761 11.512 1.00 0.00 O ATOM 0 H GLU A 35 -2.719 3.288 7.640 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.872 4.478 9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.358 6.236 9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.683 5.560 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.835 5.873 8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.563 4.199 9.197 1.00 0.00 H new ATOM 555 N LYS A 36 -2.981 2.397 10.688 1.00 0.00 N ATOM 556 CA LYS A 36 -3.486 1.745 11.881 1.00 0.00 C ATOM 557 C LYS A 36 -2.357 1.382 12.830 1.00 0.00 C ATOM 558 O LYS A 36 -2.546 1.388 14.047 1.00 0.00 O ATOM 559 CB LYS A 36 -4.248 0.486 11.475 1.00 0.00 C ATOM 560 CG LYS A 36 -3.332 -0.556 10.819 1.00 0.00 C ATOM 561 CD LYS A 36 -4.109 -1.693 10.153 1.00 0.00 C ATOM 562 CE LYS A 36 -5.196 -2.249 11.067 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.769 -3.493 10.517 1.00 0.00 N ATOM 0 H LYS A 36 -3.187 1.893 9.825 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.151 2.434 12.401 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.721 0.050 12.355 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.047 0.753 10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.706 -0.065 10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.664 -0.972 11.573 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.561 -1.332 9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.420 -2.492 9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.780 -2.443 12.056 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.984 -1.507 11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.506 -3.849 11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.186 -3.300 9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.019 -4.207 10.420 1.00 0.00 H new ATOM 577 N TYR A 37 -1.184 1.067 12.281 1.00 0.00 N ATOM 578 CA TYR A 37 -0.042 0.722 13.100 1.00 0.00 C ATOM 579 C TYR A 37 0.569 1.961 13.752 1.00 0.00 C ATOM 580 O TYR A 37 1.261 1.853 14.761 1.00 0.00 O ATOM 581 CB TYR A 37 1.000 0.018 12.241 1.00 0.00 C ATOM 582 CG TYR A 37 0.496 -1.288 11.681 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.647 -2.466 12.425 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.123 -1.321 10.424 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.166 -3.684 11.924 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.600 -2.534 9.913 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.465 -3.720 10.664 1.00 0.00 C ATOM 588 OH TYR A 37 -0.949 -4.892 10.172 1.00 0.00 O ATOM 0 H TYR A 37 -1.009 1.046 11.276 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.376 0.057 13.896 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.293 0.673 11.421 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.894 -0.166 12.837 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.136 -2.436 13.388 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.232 -0.412 9.851 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.278 -4.590 12.501 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.072 -2.562 8.942 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.989 -4.844 9.194 1.00 0.00 H new ATOM 598 N GLY A 38 0.313 3.136 13.174 1.00 0.00 N ATOM 599 CA GLY A 38 0.775 4.391 13.748 1.00 0.00 C ATOM 600 C GLY A 38 0.235 5.589 12.985 1.00 0.00 C ATOM 601 O GLY A 38 -0.558 6.356 13.531 1.00 0.00 O ATOM 0 H GLY A 38 -0.214 3.240 12.307 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.462 4.452 14.790 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.865 4.416 13.741 1.00 0.00 H new ATOM 605 N ARG A 39 0.657 5.754 11.725 1.00 0.00 N ATOM 606 CA ARG A 39 0.165 6.823 10.867 1.00 0.00 C ATOM 607 C ARG A 39 0.627 6.604 9.437 1.00 0.00 C ATOM 608 O ARG A 39 1.475 5.756 9.178 1.00 0.00 O ATOM 609 CB ARG A 39 0.698 8.174 11.365 1.00 0.00 C ATOM 610 CG ARG A 39 -0.218 9.352 11.035 1.00 0.00 C ATOM 611 CD ARG A 39 -1.579 9.151 11.696 1.00 0.00 C ATOM 612 NE ARG A 39 -2.376 10.378 11.633 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.714 10.422 11.667 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.441 9.316 11.742 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.331 11.601 11.621 1.00 0.00 N ATOM 0 H ARG A 39 1.347 5.149 11.279 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.925 6.821 10.898 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.838 8.124 12.445 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.679 8.353 10.925 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.231 10.282 11.383 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.338 9.440 9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.112 8.340 11.200 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.443 8.854 12.736 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.876 11.264 11.558 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.982 8.406 11.775 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.459 9.376 11.767 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.785 12.460 11.560 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.350 11.645 11.646 1.00 0.00 H new ATOM 629 N VAL A 40 0.057 7.377 8.513 1.00 0.00 N ATOM 630 CA VAL A 40 0.440 7.369 7.113 1.00 0.00 C ATOM 631 C VAL A 40 0.676 8.804 6.675 1.00 0.00 C ATOM 632 O VAL A 40 -0.267 9.540 6.385 1.00 0.00 O ATOM 633 CB VAL A 40 -0.648 6.686 6.282 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.437 6.897 4.791 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.613 5.179 6.472 1.00 0.00 C ATOM 0 H VAL A 40 -0.694 8.034 8.725 1.00 0.00 H new ATOM 0 HA VAL A 40 1.360 6.803 6.964 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.588 7.124 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.231 6.396 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.456 7.964 4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.527 6.482 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.396 4.718 5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.358 4.795 6.159 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.775 4.941 7.523 1.00 0.00 H new ATOM 645 N GLY A 41 1.949 9.192 6.634 1.00 0.00 N ATOM 646 CA GLY A 41 2.361 10.514 6.197 1.00 0.00 C ATOM 647 C GLY A 41 1.950 10.796 4.751 1.00 0.00 C ATOM 648 O GLY A 41 1.732 11.952 4.393 1.00 0.00 O ATOM 0 H GLY A 41 2.726 8.589 6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.920 11.266 6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.443 10.605 6.290 1.00 0.00 H new ATOM 652 N ASP A 42 1.842 9.747 3.925 1.00 0.00 N ATOM 653 CA ASP A 42 1.501 9.864 2.516 1.00 0.00 C ATOM 654 C ASP A 42 0.886 8.549 2.049 1.00 0.00 C ATOM 655 O ASP A 42 1.318 7.477 2.461 1.00 0.00 O ATOM 656 CB ASP A 42 2.790 10.109 1.722 1.00 0.00 C ATOM 657 CG ASP A 42 3.309 11.536 1.859 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.583 12.457 1.421 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.427 11.694 2.401 1.00 0.00 O ATOM 0 H ASP A 42 1.992 8.785 4.228 1.00 0.00 H new ATOM 0 HA ASP A 42 0.798 10.683 2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.558 9.414 2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.609 9.893 0.669 1.00 0.00 H new ATOM 664 N VAL A 43 -0.124 8.621 1.178 1.00 0.00 N ATOM 665 CA VAL A 43 -0.729 7.428 0.600 1.00 0.00 C ATOM 666 C VAL A 43 -1.243 7.799 -0.785 1.00 0.00 C ATOM 667 O VAL A 43 -2.137 8.637 -0.927 1.00 0.00 O ATOM 668 CB VAL A 43 -1.810 6.875 1.551 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.235 7.311 1.224 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.759 5.353 1.645 1.00 0.00 C ATOM 0 H VAL A 43 -0.538 9.497 0.860 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.011 6.617 0.480 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.560 7.318 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.924 6.873 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.303 8.398 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.498 6.974 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.537 5.004 2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.920 4.922 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.783 5.044 2.021 1.00 0.00 H new ATOM 680 N TYR A 44 -0.685 7.182 -1.828 1.00 0.00 N ATOM 681 CA TYR A 44 -1.151 7.442 -3.180 1.00 0.00 C ATOM 682 C TYR A 44 -0.820 6.285 -4.114 1.00 0.00 C ATOM 683 O TYR A 44 -0.041 5.401 -3.758 1.00 0.00 O ATOM 684 CB TYR A 44 -0.545 8.749 -3.702 1.00 0.00 C ATOM 685 CG TYR A 44 0.843 8.619 -4.292 1.00 0.00 C ATOM 686 CD1 TYR A 44 0.987 8.340 -5.655 1.00 0.00 C ATOM 687 CD2 TYR A 44 1.982 8.781 -3.489 1.00 0.00 C ATOM 688 CE1 TYR A 44 2.259 8.222 -6.229 1.00 0.00 C ATOM 689 CE2 TYR A 44 3.261 8.692 -4.053 1.00 0.00 C ATOM 690 CZ TYR A 44 3.407 8.408 -5.428 1.00 0.00 C ATOM 691 OH TYR A 44 4.644 8.320 -5.990 1.00 0.00 O ATOM 0 H TYR A 44 0.079 6.509 -1.759 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.236 7.541 -3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.209 9.162 -4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.510 9.468 -2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.109 8.214 -6.271 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.872 8.975 -2.432 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.361 7.990 -7.279 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.135 8.841 -3.436 1.00 0.00 H new ATOM 0 HH TYR A 44 5.038 7.448 -5.778 1.00 0.00 H new ATOM 701 N ILE A 45 -1.418 6.303 -5.310 1.00 0.00 N ATOM 702 CA ILE A 45 -1.191 5.294 -6.325 1.00 0.00 C ATOM 703 C ILE A 45 -0.695 6.002 -7.592 1.00 0.00 C ATOM 704 O ILE A 45 -1.411 6.837 -8.147 1.00 0.00 O ATOM 705 CB ILE A 45 -2.482 4.500 -6.596 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.812 3.468 -5.509 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.323 3.706 -7.898 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.044 4.061 -4.125 1.00 0.00 C ATOM 0 H ILE A 45 -2.077 7.028 -5.593 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.442 4.578 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.281 5.241 -6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.703 2.916 -5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.996 2.748 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.235 3.142 -8.094 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.137 4.394 -8.723 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.484 3.017 -7.804 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.271 3.261 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.147 4.588 -3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.880 4.759 -4.164 1.00 0.00 H new ATOM 720 N PRO A 46 0.524 5.675 -8.052 1.00 0.00 N ATOM 721 CA PRO A 46 1.135 6.185 -9.275 1.00 0.00 C ATOM 722 C PRO A 46 0.470 5.592 -10.524 1.00 0.00 C ATOM 723 O PRO A 46 1.142 5.024 -11.382 1.00 0.00 O ATOM 724 CB PRO A 46 2.612 5.812 -9.173 1.00 0.00 C ATOM 725 CG PRO A 46 2.593 4.546 -8.328 1.00 0.00 C ATOM 726 CD PRO A 46 1.431 4.767 -7.374 1.00 0.00 C ATOM 0 HA PRO A 46 1.008 7.263 -9.375 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.051 5.634 -10.155 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.195 6.603 -8.701 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.444 3.657 -8.941 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.532 4.409 -7.791 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.936 3.825 -7.137 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.776 5.192 -6.431 1.00 0.00 H new ATOM 900 N GLY A 56 -0.222 -1.478 -11.076 1.00 0.00 N ATOM 901 CA GLY A 56 -0.345 -2.653 -10.214 1.00 0.00 C ATOM 902 C GLY A 56 0.399 -2.490 -8.893 1.00 0.00 C ATOM 903 O GLY A 56 0.684 -3.480 -8.227 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.399 -2.843 -10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.041 -3.527 -10.739 1.00 0.00 H new ATOM 907 N PHE A 57 0.714 -1.249 -8.510 1.00 0.00 N ATOM 908 CA PHE A 57 1.397 -0.958 -7.260 1.00 0.00 C ATOM 909 C PHE A 57 0.977 0.413 -6.755 1.00 0.00 C ATOM 910 O PHE A 57 0.493 1.247 -7.523 1.00 0.00 O ATOM 911 CB PHE A 57 2.911 -1.001 -7.472 1.00 0.00 C ATOM 912 CG PHE A 57 3.479 0.195 -8.204 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.203 0.390 -9.566 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.282 1.118 -7.515 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.730 1.508 -10.237 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.814 2.225 -8.186 1.00 0.00 C ATOM 917 CZ PHE A 57 4.527 2.430 -9.544 1.00 0.00 C ATOM 0 H PHE A 57 0.499 -0.420 -9.064 1.00 0.00 H new ATOM 0 HA PHE A 57 1.125 -1.708 -6.518 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.399 -1.081 -6.500 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.161 -1.904 -8.029 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.586 -0.318 -10.099 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.490 0.973 -6.465 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.521 1.656 -11.286 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.447 2.923 -7.657 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.920 3.297 -10.055 1.00 0.00 H new ATOM 927 N ALA A 58 1.166 0.639 -5.458 1.00 0.00 N ATOM 928 CA ALA A 58 0.812 1.887 -4.813 1.00 0.00 C ATOM 929 C ALA A 58 2.087 2.576 -4.361 1.00 0.00 C ATOM 930 O ALA A 58 3.173 2.266 -4.846 1.00 0.00 O ATOM 931 CB ALA A 58 -0.107 1.608 -3.621 1.00 0.00 C ATOM 0 H ALA A 58 1.573 -0.049 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 58 0.279 2.536 -5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.372 2.548 -3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.013 1.111 -3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.408 0.966 -2.907 1.00 0.00 H new ATOM 937 N PHE A 59 1.945 3.511 -3.432 1.00 0.00 N ATOM 938 CA PHE A 59 3.060 4.217 -2.844 1.00 0.00 C ATOM 939 C PHE A 59 2.608 4.776 -1.521 1.00 0.00 C ATOM 940 O PHE A 59 2.483 5.990 -1.352 1.00 0.00 O ATOM 941 CB PHE A 59 3.534 5.293 -3.825 1.00 0.00 C ATOM 942 CG PHE A 59 5.035 5.480 -3.927 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.826 5.714 -2.789 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.635 5.409 -5.191 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.210 5.899 -2.931 1.00 0.00 C ATOM 946 CE2 PHE A 59 7.016 5.598 -5.333 1.00 0.00 C ATOM 947 CZ PHE A 59 7.804 5.844 -4.201 1.00 0.00 C ATOM 0 H PHE A 59 1.038 3.800 -3.065 1.00 0.00 H new ATOM 0 HA PHE A 59 3.912 3.563 -2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.149 5.049 -4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.088 6.244 -3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.371 5.751 -1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.029 5.207 -6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.820 6.084 -2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.471 5.554 -6.311 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.869 5.991 -4.306 1.00 0.00 H new ATOM 957 N VAL A 60 2.351 3.882 -0.562 1.00 0.00 N ATOM 958 CA VAL A 60 2.147 4.457 0.758 1.00 0.00 C ATOM 959 C VAL A 60 3.519 4.859 1.257 1.00 0.00 C ATOM 960 O VAL A 60 4.469 4.107 1.052 1.00 0.00 O ATOM 961 CB VAL A 60 1.420 3.568 1.774 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.361 2.650 1.164 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.334 2.883 2.789 1.00 0.00 C ATOM 0 H VAL A 60 2.285 2.868 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 60 1.466 5.302 0.658 1.00 0.00 H new ATOM 0 HB VAL A 60 0.848 4.276 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.104 2.057 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.399 3.252 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.830 1.986 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.734 2.276 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.047 2.246 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.874 3.638 3.360 1.00 0.00 H new ATOM 973 N ARG A 61 3.620 6.023 1.900 1.00 0.00 N ATOM 974 CA ARG A 61 4.872 6.496 2.445 1.00 0.00 C ATOM 975 C ARG A 61 4.678 6.968 3.857 1.00 0.00 C ATOM 976 O ARG A 61 3.726 7.664 4.202 1.00 0.00 O ATOM 977 CB ARG A 61 5.542 7.537 1.542 1.00 0.00 C ATOM 978 CG ARG A 61 6.482 8.432 2.355 1.00 0.00 C ATOM 979 CD ARG A 61 7.284 9.370 1.454 1.00 0.00 C ATOM 980 NE ARG A 61 8.379 9.987 2.212 1.00 0.00 N ATOM 981 CZ ARG A 61 8.269 11.069 2.988 1.00 0.00 C ATOM 982 NH1 ARG A 61 7.115 11.716 3.122 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.336 11.511 3.649 1.00 0.00 N ATOM 0 H ARG A 61 2.834 6.655 2.052 1.00 0.00 H new ATOM 0 HA ARG A 61 5.572 5.661 2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.102 7.035 0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.781 8.147 1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.901 9.019 3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.165 7.811 2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.686 8.816 0.606 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.631 10.143 1.049 1.00 0.00 H new ATOM 0 HE ARG A 61 9.300 9.554 2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.286 11.389 2.626 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.059 12.540 3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.228 11.025 3.561 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.262 12.336 4.244 1.00 0.00 H new ATOM 997 N PHE A 62 5.638 6.556 4.671 1.00 0.00 N ATOM 998 CA PHE A 62 5.612 6.868 6.091 1.00 0.00 C ATOM 999 C PHE A 62 6.656 7.925 6.388 1.00 0.00 C ATOM 1000 O PHE A 62 7.716 7.929 5.768 1.00 0.00 O ATOM 1001 CB PHE A 62 5.843 5.608 6.907 1.00 0.00 C ATOM 1002 CG PHE A 62 4.601 4.768 7.093 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.680 4.577 6.046 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.363 4.186 8.342 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.514 3.831 6.249 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.215 3.414 8.547 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.299 3.238 7.507 1.00 0.00 C ATOM 0 H PHE A 62 6.443 6.006 4.373 1.00 0.00 H new ATOM 0 HA PHE A 62 4.634 7.262 6.368 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.609 5.005 6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.233 5.886 7.886 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.875 5.011 5.076 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.066 4.333 9.149 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.792 3.712 5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.037 2.955 9.508 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.415 2.639 7.670 1.00 0.00 H new ATOM 1017 N HIS A 63 6.323 8.802 7.339 1.00 0.00 N ATOM 1018 CA HIS A 63 7.123 9.940 7.761 1.00 0.00 C ATOM 1019 C HIS A 63 8.029 9.569 8.934 1.00 0.00 C ATOM 1020 O HIS A 63 8.844 10.384 9.365 1.00 0.00 O ATOM 1021 CB HIS A 63 6.149 11.040 8.183 1.00 0.00 C ATOM 1022 CG HIS A 63 5.132 10.550 9.185 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.350 9.513 10.092 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.858 11.017 9.343 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.207 9.380 10.776 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.297 10.276 10.357 1.00 0.00 N ATOM 0 H HIS A 63 5.447 8.729 7.856 1.00 0.00 H new ATOM 0 HA HIS A 63 7.766 10.271 6.946 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.707 11.872 8.612 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.633 11.423 7.303 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.385 11.810 8.783 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.039 8.653 11.557 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.353 10.387 10.727 1.00 0.00 H new ATOM 1034 N ASP A 64 7.888 8.345 9.450 1.00 0.00 N ATOM 1035 CA ASP A 64 8.637 7.868 10.599 1.00 0.00 C ATOM 1036 C ASP A 64 8.879 6.369 10.434 1.00 0.00 C ATOM 1037 O ASP A 64 7.932 5.584 10.380 1.00 0.00 O ATOM 1038 CB ASP A 64 7.849 8.163 11.880 1.00 0.00 C ATOM 1039 CG ASP A 64 8.673 7.891 13.139 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.531 6.982 13.095 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.431 8.596 14.142 1.00 0.00 O ATOM 0 H ASP A 64 7.240 7.654 9.071 1.00 0.00 H new ATOM 0 HA ASP A 64 9.599 8.376 10.669 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.528 9.205 11.876 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.947 7.552 11.899 1.00 0.00 H new ATOM 1046 N LYS A 65 10.154 5.978 10.354 1.00 0.00 N ATOM 1047 CA LYS A 65 10.526 4.589 10.150 1.00 0.00 C ATOM 1048 C LYS A 65 10.008 3.664 11.246 1.00 0.00 C ATOM 1049 O LYS A 65 9.859 2.472 10.998 1.00 0.00 O ATOM 1050 CB LYS A 65 12.044 4.480 10.031 1.00 0.00 C ATOM 1051 CG LYS A 65 12.735 4.691 11.382 1.00 0.00 C ATOM 1052 CD LYS A 65 14.253 4.779 11.201 1.00 0.00 C ATOM 1053 CE LYS A 65 14.728 3.650 10.289 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.198 3.623 10.197 1.00 0.00 N ATOM 0 H LYS A 65 10.947 6.616 10.429 1.00 0.00 H new ATOM 0 HA LYS A 65 10.054 4.259 9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.309 3.499 9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.407 5.219 9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.365 5.605 11.847 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.490 3.869 12.054 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.523 5.744 10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.749 4.711 12.169 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.367 2.695 10.670 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.301 3.778 9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.492 2.846 9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.538 4.527 9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.602 3.477 11.144 1.00 0.00 H new ATOM 1068 N ARG A 66 9.730 4.180 12.447 1.00 0.00 N ATOM 1069 CA ARG A 66 9.266 3.346 13.550 1.00 0.00 C ATOM 1070 C ARG A 66 7.863 2.821 13.264 1.00 0.00 C ATOM 1071 O ARG A 66 7.596 1.630 13.420 1.00 0.00 O ATOM 1072 CB ARG A 66 9.277 4.158 14.847 1.00 0.00 C ATOM 1073 CG ARG A 66 10.685 4.626 15.217 1.00 0.00 C ATOM 1074 CD ARG A 66 11.620 3.445 15.491 1.00 0.00 C ATOM 1075 NE ARG A 66 11.154 2.662 16.644 1.00 0.00 N ATOM 1076 CZ ARG A 66 11.194 1.331 16.733 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.672 0.582 15.742 1.00 0.00 N ATOM 1078 NH2 ARG A 66 10.746 0.735 17.833 1.00 0.00 N ATOM 0 H ARG A 66 9.819 5.170 12.676 1.00 0.00 H new ATOM 0 HA ARG A 66 9.935 2.493 13.658 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.624 5.024 14.738 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.871 3.552 15.657 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.092 5.232 14.407 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.636 5.264 16.099 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.672 2.806 14.610 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.629 3.811 15.679 1.00 0.00 H new ATOM 0 HE ARG A 66 10.770 3.175 17.437 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.018 1.024 14.890 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.692 -0.434 15.834 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.375 1.294 18.601 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.773 -0.282 17.909 1.00 0.00 H new ATOM 1092 N ASP A 67 6.965 3.713 12.838 1.00 0.00 N ATOM 1093 CA ASP A 67 5.612 3.315 12.485 1.00 0.00 C ATOM 1094 C ASP A 67 5.645 2.467 11.219 1.00 0.00 C ATOM 1095 O ASP A 67 4.765 1.631 11.008 1.00 0.00 O ATOM 1096 CB ASP A 67 4.741 4.554 12.265 1.00 0.00 C ATOM 1097 CG ASP A 67 4.594 5.387 13.532 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.307 4.789 14.591 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.768 6.621 13.434 1.00 0.00 O ATOM 0 H ASP A 67 7.155 4.709 12.732 1.00 0.00 H new ATOM 0 HA ASP A 67 5.186 2.729 13.299 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.178 5.168 11.477 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.755 4.246 11.919 1.00 0.00 H new ATOM 1104 N ALA A 68 6.660 2.675 10.371 1.00 0.00 N ATOM 1105 CA ALA A 68 6.797 1.919 9.147 1.00 0.00 C ATOM 1106 C ALA A 68 7.343 0.521 9.430 1.00 0.00 C ATOM 1107 O ALA A 68 6.972 -0.424 8.741 1.00 0.00 O ATOM 1108 CB ALA A 68 7.756 2.674 8.234 1.00 0.00 C ATOM 0 H ALA A 68 7.395 3.366 10.522 1.00 0.00 H new ATOM 0 HA ALA A 68 5.822 1.806 8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.878 2.125 7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.353 3.664 8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.724 2.774 8.726 1.00 0.00 H new ATOM 1114 N GLU A 69 8.212 0.381 10.434 1.00 0.00 N ATOM 1115 CA GLU A 69 8.791 -0.900 10.804 1.00 0.00 C ATOM 1116 C GLU A 69 7.715 -1.886 11.227 1.00 0.00 C ATOM 1117 O GLU A 69 7.692 -3.016 10.740 1.00 0.00 O ATOM 1118 CB GLU A 69 9.751 -0.705 11.978 1.00 0.00 C ATOM 1119 CG GLU A 69 11.164 -0.423 11.471 1.00 0.00 C ATOM 1120 CD GLU A 69 12.141 -0.253 12.630 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.677 -1.290 13.081 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.347 0.903 13.059 1.00 0.00 O ATOM 0 H GLU A 69 8.531 1.159 11.011 1.00 0.00 H new ATOM 0 HA GLU A 69 9.317 -1.295 9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.410 0.122 12.601 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.754 -1.597 12.605 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.494 -1.241 10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.161 0.479 10.859 1.00 0.00 H new ATOM 1129 N ASP A 70 6.819 -1.478 12.127 1.00 0.00 N ATOM 1130 CA ASP A 70 5.822 -2.416 12.620 1.00 0.00 C ATOM 1131 C ASP A 70 4.798 -2.732 11.532 1.00 0.00 C ATOM 1132 O ASP A 70 4.418 -3.887 11.356 1.00 0.00 O ATOM 1133 CB ASP A 70 5.133 -1.843 13.853 1.00 0.00 C ATOM 1134 CG ASP A 70 6.129 -1.487 14.954 1.00 0.00 C ATOM 1135 OD1 ASP A 70 7.026 -2.322 15.219 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.990 -0.382 15.526 1.00 0.00 O ATOM 0 H ASP A 70 6.765 -0.537 12.516 1.00 0.00 H new ATOM 0 HA ASP A 70 6.321 -3.345 12.897 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.570 -0.953 13.572 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.414 -2.567 14.236 1.00 0.00 H new ATOM 1141 N ALA A 71 4.352 -1.708 10.800 1.00 0.00 N ATOM 1142 CA ALA A 71 3.382 -1.895 9.736 1.00 0.00 C ATOM 1143 C ALA A 71 3.950 -2.830 8.672 1.00 0.00 C ATOM 1144 O ALA A 71 3.268 -3.749 8.238 1.00 0.00 O ATOM 1145 CB ALA A 71 3.014 -0.537 9.133 1.00 0.00 C ATOM 0 H ALA A 71 4.652 -0.742 10.931 1.00 0.00 H new ATOM 0 HA ALA A 71 2.478 -2.351 10.141 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.286 -0.679 8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.585 0.100 9.906 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.909 -0.064 8.728 1.00 0.00 H new ATOM 1151 N MET A 72 5.197 -2.610 8.255 1.00 0.00 N ATOM 1152 CA MET A 72 5.844 -3.426 7.242 1.00 0.00 C ATOM 1153 C MET A 72 6.048 -4.850 7.739 1.00 0.00 C ATOM 1154 O MET A 72 5.828 -5.800 6.989 1.00 0.00 O ATOM 1155 CB MET A 72 7.186 -2.775 6.907 1.00 0.00 C ATOM 1156 CG MET A 72 8.078 -3.672 6.056 1.00 0.00 C ATOM 1157 SD MET A 72 9.448 -2.790 5.266 1.00 0.00 S ATOM 1158 CE MET A 72 10.030 -1.785 6.655 1.00 0.00 C ATOM 0 H MET A 72 5.784 -1.857 8.615 1.00 0.00 H new ATOM 0 HA MET A 72 5.217 -3.483 6.352 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.009 -1.838 6.378 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.705 -2.525 7.832 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.482 -4.468 6.682 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.471 -4.149 5.286 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.070 -1.504 6.490 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.420 -0.885 6.734 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.951 -2.359 7.578 1.00 0.00 H new ATOM 1168 N ASP A 73 6.462 -5.003 8.998 1.00 0.00 N ATOM 1169 CA ASP A 73 6.649 -6.317 9.597 1.00 0.00 C ATOM 1170 C ASP A 73 5.304 -7.020 9.811 1.00 0.00 C ATOM 1171 O ASP A 73 5.262 -8.188 10.190 1.00 0.00 O ATOM 1172 CB ASP A 73 7.406 -6.154 10.916 1.00 0.00 C ATOM 1173 CG ASP A 73 7.761 -7.504 11.538 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.498 -8.265 10.873 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.297 -7.764 12.669 1.00 0.00 O ATOM 0 H ASP A 73 6.674 -4.225 9.623 1.00 0.00 H new ATOM 0 HA ASP A 73 7.232 -6.945 8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.318 -5.582 10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.798 -5.580 11.615 1.00 0.00 H new ATOM 1180 N ALA A 74 4.193 -6.305 9.567 1.00 0.00 N ATOM 1181 CA ALA A 74 2.851 -6.834 9.724 1.00 0.00 C ATOM 1182 C ALA A 74 2.001 -6.674 8.458 1.00 0.00 C ATOM 1183 O ALA A 74 0.802 -6.960 8.486 1.00 0.00 O ATOM 1184 CB ALA A 74 2.199 -6.125 10.912 1.00 0.00 C ATOM 0 H ALA A 74 4.214 -5.335 9.253 1.00 0.00 H new ATOM 0 HA ALA A 74 2.915 -7.907 9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.187 -6.505 11.052 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.784 -6.311 11.813 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.160 -5.053 10.719 1.00 0.00 H new ATOM 1190 N MET A 75 2.595 -6.223 7.342 1.00 0.00 N ATOM 1191 CA MET A 75 1.858 -6.009 6.102 1.00 0.00 C ATOM 1192 C MET A 75 2.583 -6.547 4.871 1.00 0.00 C ATOM 1193 O MET A 75 1.944 -6.734 3.834 1.00 0.00 O ATOM 1194 CB MET A 75 1.587 -4.516 5.912 1.00 0.00 C ATOM 1195 CG MET A 75 0.479 -4.015 6.838 1.00 0.00 C ATOM 1196 SD MET A 75 -1.129 -4.806 6.561 1.00 0.00 S ATOM 1197 CE MET A 75 -1.225 -4.637 4.761 1.00 0.00 C ATOM 0 H MET A 75 3.589 -6.001 7.281 1.00 0.00 H new ATOM 0 HA MET A 75 0.924 -6.564 6.195 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.501 -3.954 6.103 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.307 -4.327 4.876 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.781 -4.182 7.872 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.370 -2.938 6.707 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.240 -4.856 4.429 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.962 -3.618 4.477 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.531 -5.335 4.292 1.00 0.00 H new ATOM 1207 N ASP A 76 3.891 -6.808 4.951 1.00 0.00 N ATOM 1208 CA ASP A 76 4.601 -7.377 3.819 1.00 0.00 C ATOM 1209 C ASP A 76 4.106 -8.797 3.552 1.00 0.00 C ATOM 1210 O ASP A 76 4.352 -9.710 4.343 1.00 0.00 O ATOM 1211 CB ASP A 76 6.108 -7.355 4.075 1.00 0.00 C ATOM 1212 CG ASP A 76 6.870 -7.806 2.828 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.523 -7.299 1.735 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.781 -8.647 2.974 1.00 0.00 O ATOM 0 H ASP A 76 4.465 -6.635 5.776 1.00 0.00 H new ATOM 0 HA ASP A 76 4.402 -6.775 2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.421 -6.349 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.350 -8.009 4.913 1.00 0.00 H new ATOM 1219 N GLY A 77 3.406 -8.985 2.428 1.00 0.00 N ATOM 1220 CA GLY A 77 2.850 -10.270 2.041 1.00 0.00 C ATOM 1221 C GLY A 77 1.620 -10.621 2.870 1.00 0.00 C ATOM 1222 O GLY A 77 1.320 -11.793 3.075 1.00 0.00 O ATOM 0 H GLY A 77 3.212 -8.238 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.583 -10.248 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.606 -11.046 2.163 1.00 0.00 H new ATOM 1226 N ALA A 78 0.902 -9.598 3.346 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.256 -9.776 4.217 1.00 0.00 C ATOM 1228 C ALA A 78 -1.553 -9.968 3.432 1.00 0.00 C ATOM 1229 O ALA A 78 -2.619 -10.080 4.034 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.367 -8.572 5.149 1.00 0.00 C ATOM 0 H ALA A 78 1.111 -8.622 3.135 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.107 -10.687 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.230 -8.697 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.538 -8.494 5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.488 -7.664 4.558 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.459 -10.013 2.095 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.573 -10.246 1.178 1.00 0.00 C ATOM 1238 C VAL A 79 -3.902 -9.667 1.682 1.00 0.00 C ATOM 1239 O VAL A 79 -4.822 -10.394 2.057 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.625 -11.734 0.795 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.622 -12.657 2.011 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.775 -12.034 -0.143 1.00 0.00 C ATOM 0 H VAL A 79 -0.571 -9.883 1.610 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.394 -9.686 0.260 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.703 -11.944 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.660 -13.695 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.713 -12.494 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.491 -12.443 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.776 -13.096 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.716 -11.772 0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.661 -11.450 -1.056 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.003 -8.334 1.688 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.236 -7.650 2.058 1.00 0.00 C ATOM 1254 C LEU A 80 -6.338 -7.808 1.001 1.00 0.00 C ATOM 1255 O LEU A 80 -7.450 -7.328 1.218 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.961 -6.171 2.366 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.380 -5.362 1.199 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.376 -5.094 0.069 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -3.917 -4.006 1.713 1.00 0.00 C ATOM 0 H LEU A 80 -3.237 -7.708 1.438 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.611 -8.127 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.892 -5.703 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.271 -6.113 3.208 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.567 -5.966 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.888 -4.517 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.726 -6.042 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.225 -4.532 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.503 -3.426 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.764 -3.471 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.152 -4.148 2.476 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.050 -8.469 -0.128 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.051 -8.703 -1.157 1.00 0.00 C ATOM 1273 C ASP A 81 -7.003 -10.136 -1.685 1.00 0.00 C ATOM 1274 O ASP A 81 -8.018 -10.829 -1.665 1.00 0.00 O ATOM 1275 CB ASP A 81 -6.867 -7.707 -2.304 1.00 0.00 C ATOM 1276 CG ASP A 81 -7.880 -7.979 -3.411 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -9.014 -7.462 -3.295 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -7.513 -8.699 -4.365 1.00 0.00 O ATOM 0 H ASP A 81 -5.128 -8.849 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.032 -8.556 -0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.988 -6.689 -1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.855 -7.783 -2.702 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.835 -10.589 -2.153 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.659 -11.966 -2.609 1.00 0.00 C ATOM 1285 C GLY A 82 -4.537 -12.127 -3.630 1.00 0.00 C ATOM 1286 O GLY A 82 -4.592 -13.028 -4.467 1.00 0.00 O ATOM 0 H GLY A 82 -4.995 -10.016 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.451 -12.602 -1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.593 -12.318 -3.048 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.525 -11.255 -3.567 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.389 -11.285 -4.482 1.00 0.00 C ATOM 1292 C ARG A 83 -1.057 -11.092 -3.754 1.00 0.00 C ATOM 1293 O ARG A 83 -0.013 -11.403 -4.320 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.580 -10.209 -5.544 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.979 -8.887 -4.885 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.736 -7.747 -5.858 1.00 0.00 C ATOM 1297 NE ARG A 83 -3.360 -8.029 -7.157 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.699 -8.145 -8.311 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -1.380 -7.972 -8.380 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.364 -8.440 -9.426 1.00 0.00 N ATOM 0 H ARG A 83 -3.475 -10.507 -2.875 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.350 -12.269 -4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.658 -10.078 -6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.349 -10.518 -6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.029 -8.915 -4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.400 -8.732 -3.974 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.140 -6.821 -5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.664 -7.597 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.373 -8.145 -7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.851 -7.745 -7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.899 -8.066 -9.275 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.374 -8.576 -9.396 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.863 -8.530 -10.310 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.103 -10.585 -2.518 1.00 0.00 N ATOM 1315 CA GLU A 84 -0.014 -10.560 -1.541 1.00 0.00 C ATOM 1316 C GLU A 84 0.693 -9.207 -1.541 1.00 0.00 C ATOM 1317 O GLU A 84 1.673 -8.999 -2.253 1.00 0.00 O ATOM 1318 CB GLU A 84 0.947 -11.749 -1.693 1.00 0.00 C ATOM 1319 CG GLU A 84 1.111 -12.462 -0.352 1.00 0.00 C ATOM 1320 CD GLU A 84 2.284 -13.438 -0.388 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.437 -12.953 -0.391 1.00 0.00 O ATOM 1322 OE2 GLU A 84 2.019 -14.661 -0.415 1.00 0.00 O ATOM 0 H GLU A 84 -1.953 -10.156 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.458 -10.683 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.563 -12.444 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.916 -11.401 -2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.270 -11.727 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.194 -12.999 -0.108 1.00 0.00 H new ATOM 1329 N LEU A 85 0.168 -8.291 -0.721 1.00 0.00 N ATOM 1330 CA LEU A 85 0.673 -6.939 -0.522 1.00 0.00 C ATOM 1331 C LEU A 85 2.194 -6.935 -0.356 1.00 0.00 C ATOM 1332 O LEU A 85 2.785 -7.944 0.028 1.00 0.00 O ATOM 1333 CB LEU A 85 -0.059 -6.389 0.714 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.386 -4.891 0.716 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.851 -4.017 0.843 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.155 -4.465 -0.538 1.00 0.00 C ATOM 0 H LEU A 85 -0.658 -8.486 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 85 0.481 -6.305 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.992 -6.940 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.549 -6.605 1.593 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.013 -4.743 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.557 -2.967 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.364 -4.246 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.520 -4.210 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.364 -3.396 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.555 -4.679 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.094 -5.016 -0.594 1.00 0.00 H new ATOM 1348 N ARG A 86 2.841 -5.803 -0.645 1.00 0.00 N ATOM 1349 CA ARG A 86 4.289 -5.674 -0.577 1.00 0.00 C ATOM 1350 C ARG A 86 4.658 -4.403 0.166 1.00 0.00 C ATOM 1351 O ARG A 86 4.066 -3.352 -0.076 1.00 0.00 O ATOM 1352 CB ARG A 86 4.855 -5.620 -1.999 1.00 0.00 C ATOM 1353 CG ARG A 86 4.687 -6.943 -2.741 1.00 0.00 C ATOM 1354 CD ARG A 86 5.483 -8.037 -2.034 1.00 0.00 C ATOM 1355 NE ARG A 86 5.406 -9.313 -2.760 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.870 -10.430 -2.265 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.329 -10.452 -1.048 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.868 -11.548 -2.982 1.00 0.00 N ATOM 0 H ARG A 86 2.367 -4.948 -0.934 1.00 0.00 H new ATOM 0 HA ARG A 86 4.706 -6.530 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.355 -4.828 -2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.913 -5.362 -1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.633 -7.216 -2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.029 -6.839 -3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.525 -7.730 -1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.102 -8.169 -1.022 1.00 0.00 H new ATOM 0 HE ARG A 86 5.788 -9.347 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.320 -9.606 -0.479 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.924 -11.315 -0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.278 -11.556 -3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.457 -12.399 -2.599 1.00 0.00 H new ATOM 1372 N VAL A 87 5.637 -4.493 1.068 1.00 0.00 N ATOM 1373 CA VAL A 87 6.053 -3.348 1.858 1.00 0.00 C ATOM 1374 C VAL A 87 7.574 -3.301 1.984 1.00 0.00 C ATOM 1375 O VAL A 87 8.225 -4.327 2.168 1.00 0.00 O ATOM 1376 CB VAL A 87 5.397 -3.413 3.241 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.619 -2.081 3.950 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.904 -3.728 3.157 1.00 0.00 C ATOM 0 H VAL A 87 6.153 -5.351 1.265 1.00 0.00 H new ATOM 0 HA VAL A 87 5.732 -2.436 1.355 1.00 0.00 H new ATOM 0 HB VAL A 87 5.858 -4.224 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.157 -2.113 4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.688 -1.899 4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.170 -1.278 3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.483 -3.764 4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.400 -2.953 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.763 -4.693 2.670 1.00 0.00 H new ATOM 1388 N GLN A 88 8.128 -2.094 1.878 1.00 0.00 N ATOM 1389 CA GLN A 88 9.566 -1.853 1.866 1.00 0.00 C ATOM 1390 C GLN A 88 9.848 -0.358 1.987 1.00 0.00 C ATOM 1391 O GLN A 88 9.057 0.464 1.538 1.00 0.00 O ATOM 1392 CB GLN A 88 10.149 -2.393 0.552 1.00 0.00 C ATOM 1393 CG GLN A 88 9.337 -1.929 -0.658 1.00 0.00 C ATOM 1394 CD GLN A 88 9.928 -2.430 -1.969 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.077 -2.866 -2.031 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.143 -2.373 -3.042 1.00 0.00 N ATOM 0 H GLN A 88 7.576 -1.240 1.796 1.00 0.00 H new ATOM 0 HA GLN A 88 10.030 -2.362 2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.181 -2.059 0.447 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.167 -3.482 0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.311 -2.285 -0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.297 -0.840 -0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.194 -2.007 -2.961 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.490 -2.696 -3.945 1.00 0.00 H new ATOM 1405 N MET A 89 10.980 0.010 2.597 1.00 0.00 N ATOM 1406 CA MET A 89 11.410 1.394 2.711 1.00 0.00 C ATOM 1407 C MET A 89 11.434 2.097 1.356 1.00 0.00 C ATOM 1408 O MET A 89 11.522 1.468 0.302 1.00 0.00 O ATOM 1409 CB MET A 89 12.789 1.434 3.366 1.00 0.00 C ATOM 1410 CG MET A 89 12.610 1.069 4.839 1.00 0.00 C ATOM 1411 SD MET A 89 11.987 2.440 5.842 1.00 0.00 S ATOM 1412 CE MET A 89 11.465 1.484 7.282 1.00 0.00 C ATOM 0 H MET A 89 11.623 -0.655 3.026 1.00 0.00 H new ATOM 0 HA MET A 89 10.692 1.931 3.330 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.466 0.733 2.877 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.231 2.425 3.268 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.921 0.228 4.917 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.566 0.737 5.243 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.826 1.967 8.190 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.377 1.430 7.308 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.877 0.477 7.219 1.00 0.00 H new ATOM 1422 N ALA A 90 11.356 3.428 1.403 1.00 0.00 N ATOM 1423 CA ALA A 90 11.336 4.295 0.238 1.00 0.00 C ATOM 1424 C ALA A 90 12.566 5.212 0.221 1.00 0.00 C ATOM 1425 O ALA A 90 12.776 5.944 -0.743 1.00 0.00 O ATOM 1426 CB ALA A 90 10.047 5.114 0.261 1.00 0.00 C ATOM 0 H ALA A 90 11.304 3.942 2.283 1.00 0.00 H new ATOM 0 HA ALA A 90 11.368 3.691 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.018 5.771 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.189 4.442 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.014 5.714 1.170 1.00 0.00 H new