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 158:sc= -0.0964 (180deg=-0.605) USER MOD Set 1.2: A 89 MET CE :methyl 147:sc= -0.0137 (180deg=0) USER MOD Single : A 15 SER OG : rot 35:sc= 0.367 USER MOD Single : A 17 LYS NZ :NH3+ -122:sc= -0.0188 (180deg=-0.413) USER MOD Single : A 20 ASN : amide:sc= 0.843 K(o=0.84,f=-2.1!) USER MOD Single : A 22 THR OG1 : rot -34:sc= 0.702 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -64:sc= 0.968 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 116:sc= 0.267 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -154:sc= 0.184 USER MOD Single : A 44 TYR OH : rot 69:sc= 1.36 USER MOD Single : A 63 HIS : no HD1:sc= -2.15 K(o=-2.2,f=-7.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -167:sc= -0.838 (180deg=-1.8) USER MOD Single : A 88 GLN : amide:sc= 0.971 K(o=0.97,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.695 6.850 5.102 1.00 0.00 N ATOM 204 CA SER A 15 10.450 6.776 4.351 1.00 0.00 C ATOM 205 C SER A 15 10.125 5.335 4.008 1.00 0.00 C ATOM 206 O SER A 15 11.010 4.558 3.660 1.00 0.00 O ATOM 207 CB SER A 15 10.570 7.606 3.073 1.00 0.00 C ATOM 208 OG SER A 15 10.767 8.973 3.385 1.00 0.00 O ATOM 0 HA SER A 15 9.643 7.176 4.964 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.403 7.241 2.472 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.668 7.491 2.472 1.00 0.00 H new ATOM 0 HG SER A 15 11.313 9.048 4.195 1.00 0.00 H new ATOM 214 N LEU A 16 8.838 4.996 4.104 1.00 0.00 N ATOM 215 CA LEU A 16 8.344 3.697 3.675 1.00 0.00 C ATOM 216 C LEU A 16 7.732 3.865 2.293 1.00 0.00 C ATOM 217 O LEU A 16 7.396 4.989 1.929 1.00 0.00 O ATOM 218 CB LEU A 16 7.286 3.207 4.674 1.00 0.00 C ATOM 219 CG LEU A 16 6.841 1.764 4.426 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.999 0.800 4.688 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.674 1.410 5.341 1.00 0.00 C ATOM 0 H LEU A 16 8.118 5.613 4.479 1.00 0.00 H new ATOM 0 HA LEU A 16 9.150 2.964 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.686 3.288 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.416 3.862 4.622 1.00 0.00 H new ATOM 0 HG LEU A 16 6.526 1.674 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.669 -0.223 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.828 1.037 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.327 0.898 5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.366 0.381 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.982 1.515 6.381 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.838 2.081 5.141 1.00 0.00 H new ATOM 233 N LYS A 17 7.596 2.755 1.559 1.00 0.00 N ATOM 234 CA LYS A 17 6.956 2.636 0.255 1.00 0.00 C ATOM 235 C LYS A 17 6.176 1.323 0.255 1.00 0.00 C ATOM 236 O LYS A 17 6.653 0.303 0.746 1.00 0.00 O ATOM 237 CB LYS A 17 8.027 2.686 -0.839 1.00 0.00 C ATOM 238 CG LYS A 17 7.669 2.002 -2.156 1.00 0.00 C ATOM 239 CD LYS A 17 6.542 2.722 -2.889 1.00 0.00 C ATOM 240 CE LYS A 17 6.120 1.961 -4.136 1.00 0.00 C ATOM 241 NZ LYS A 17 7.253 1.715 -5.048 1.00 0.00 N ATOM 0 H LYS A 17 7.956 1.859 1.887 1.00 0.00 H new ATOM 0 HA LYS A 17 6.266 3.456 0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.258 3.731 -1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.937 2.229 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.551 1.964 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.373 0.971 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.687 2.836 -2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.867 3.725 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.676 1.009 -3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.349 2.525 -4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.046 2.131 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.114 2.149 -4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.399 0.691 -5.152 1.00 0.00 H new ATOM 255 N VAL A 18 4.966 1.339 -0.297 1.00 0.00 N ATOM 256 CA VAL A 18 4.151 0.139 -0.408 1.00 0.00 C ATOM 257 C VAL A 18 3.653 -0.019 -1.825 1.00 0.00 C ATOM 258 O VAL A 18 3.293 0.983 -2.442 1.00 0.00 O ATOM 259 CB VAL A 18 2.961 0.252 0.530 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.809 -0.659 0.106 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.420 -0.100 1.936 1.00 0.00 C ATOM 0 H VAL A 18 4.528 2.178 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 18 4.754 -0.729 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 18 2.585 1.275 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.980 -0.546 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.479 -0.386 -0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.146 -1.696 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.578 -0.024 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.807 -1.119 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.205 0.590 2.246 1.00 0.00 H new ATOM 271 N ASP A 19 3.650 -1.284 -2.280 1.00 0.00 N ATOM 272 CA ASP A 19 3.432 -1.737 -3.649 1.00 0.00 C ATOM 273 C ASP A 19 2.399 -2.870 -3.727 1.00 0.00 C ATOM 274 O ASP A 19 1.880 -3.333 -2.717 1.00 0.00 O ATOM 275 CB ASP A 19 4.757 -2.284 -4.204 1.00 0.00 C ATOM 276 CG ASP A 19 5.862 -1.245 -4.317 1.00 0.00 C ATOM 277 OD1 ASP A 19 6.543 -1.012 -3.295 1.00 0.00 O ATOM 278 OD2 ASP A 19 6.015 -0.695 -5.431 1.00 0.00 O ATOM 0 H ASP A 19 3.813 -2.068 -1.648 1.00 0.00 H new ATOM 0 HA ASP A 19 3.064 -0.886 -4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.100 -3.095 -3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.576 -2.714 -5.189 1.00 0.00 H new ATOM 283 N ASN A 20 2.123 -3.296 -4.967 1.00 0.00 N ATOM 284 CA ASN A 20 1.212 -4.366 -5.356 1.00 0.00 C ATOM 285 C ASN A 20 -0.257 -4.004 -5.135 1.00 0.00 C ATOM 286 O ASN A 20 -0.673 -3.750 -4.010 1.00 0.00 O ATOM 287 CB ASN A 20 1.600 -5.695 -4.707 1.00 0.00 C ATOM 288 CG ASN A 20 1.083 -6.852 -5.556 1.00 0.00 C ATOM 289 OD1 ASN A 20 0.975 -6.749 -6.773 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.757 -7.970 -4.930 1.00 0.00 N ATOM 0 H ASN A 20 2.566 -2.866 -5.779 1.00 0.00 H new ATOM 0 HA ASN A 20 1.318 -4.497 -6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.684 -5.760 -4.608 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.184 -5.755 -3.701 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.408 -8.768 -5.460 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.855 -8.034 -3.917 1.00 0.00 H new ATOM 297 N LEU A 21 -1.028 -3.992 -6.229 1.00 0.00 N ATOM 298 CA LEU A 21 -2.452 -3.671 -6.235 1.00 0.00 C ATOM 299 C LEU A 21 -3.225 -4.610 -7.155 1.00 0.00 C ATOM 300 O LEU A 21 -2.647 -5.446 -7.850 1.00 0.00 O ATOM 301 CB LEU A 21 -2.662 -2.243 -6.738 1.00 0.00 C ATOM 302 CG LEU A 21 -1.822 -1.204 -6.004 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.100 0.155 -6.638 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.140 -1.145 -4.514 1.00 0.00 C ATOM 0 H LEU A 21 -0.665 -4.212 -7.157 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.817 -3.780 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.425 -2.203 -7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.716 -1.983 -6.636 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.772 -1.481 -6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.511 0.920 -6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.828 0.127 -7.693 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.160 0.391 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.515 -0.390 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.190 -0.886 -4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.943 -2.117 -4.061 1.00 0.00 H new ATOM 316 N THR A 22 -4.555 -4.458 -7.161 1.00 0.00 N ATOM 317 CA THR A 22 -5.453 -5.212 -8.031 1.00 0.00 C ATOM 318 C THR A 22 -6.402 -4.275 -8.777 1.00 0.00 C ATOM 319 O THR A 22 -7.377 -4.743 -9.351 1.00 0.00 O ATOM 320 CB THR A 22 -6.216 -6.256 -7.216 1.00 0.00 C ATOM 321 OG1 THR A 22 -6.967 -7.110 -8.060 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.152 -5.611 -6.192 1.00 0.00 C ATOM 0 H THR A 22 -5.040 -3.798 -6.552 1.00 0.00 H new ATOM 0 HA THR A 22 -4.861 -5.735 -8.782 1.00 0.00 H new ATOM 0 HB THR A 22 -5.467 -6.840 -6.681 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.296 -6.602 -8.830 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.674 -6.389 -5.635 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.571 -4.999 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.879 -4.984 -6.708 1.00 0.00 H new ATOM 329 N TYR A 23 -6.115 -2.961 -8.764 1.00 0.00 N ATOM 330 CA TYR A 23 -6.879 -1.895 -9.419 1.00 0.00 C ATOM 331 C TYR A 23 -8.034 -1.387 -8.557 1.00 0.00 C ATOM 332 O TYR A 23 -8.672 -0.391 -8.888 1.00 0.00 O ATOM 333 CB TYR A 23 -7.338 -2.307 -10.820 1.00 0.00 C ATOM 334 CG TYR A 23 -8.835 -2.252 -11.050 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.700 -3.093 -10.333 1.00 0.00 C ATOM 336 CD2 TYR A 23 -9.352 -1.344 -11.985 1.00 0.00 C ATOM 337 CE1 TYR A 23 -11.081 -3.032 -10.553 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.734 -1.277 -12.214 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.602 -2.127 -11.499 1.00 0.00 C ATOM 340 OH TYR A 23 -12.944 -2.068 -11.728 1.00 0.00 O ATOM 0 H TYR A 23 -5.300 -2.600 -8.269 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.200 -1.051 -9.541 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.850 -1.661 -11.550 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.994 -3.323 -11.014 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.299 -3.788 -9.610 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.684 -0.694 -12.531 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.746 -3.678 -9.999 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.131 -0.578 -12.935 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.130 -1.389 -12.410 1.00 0.00 H new ATOM 350 N ARG A 24 -8.292 -2.086 -7.454 1.00 0.00 N ATOM 351 CA ARG A 24 -9.403 -1.786 -6.557 1.00 0.00 C ATOM 352 C ARG A 24 -8.923 -1.508 -5.133 1.00 0.00 C ATOM 353 O ARG A 24 -9.698 -1.031 -4.306 1.00 0.00 O ATOM 354 CB ARG A 24 -10.355 -2.975 -6.621 1.00 0.00 C ATOM 355 CG ARG A 24 -11.566 -2.824 -5.701 1.00 0.00 C ATOM 356 CD ARG A 24 -12.453 -4.057 -5.862 1.00 0.00 C ATOM 357 NE ARG A 24 -11.788 -5.252 -5.331 1.00 0.00 N ATOM 358 CZ ARG A 24 -12.198 -6.504 -5.544 1.00 0.00 C ATOM 359 NH1 ARG A 24 -13.281 -6.751 -6.278 1.00 0.00 N ATOM 360 NH2 ARG A 24 -11.518 -7.522 -5.022 1.00 0.00 N ATOM 0 H ARG A 24 -7.730 -2.883 -7.156 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.914 -0.875 -6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.700 -3.102 -7.647 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.813 -3.882 -6.352 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.244 -2.722 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.123 -1.921 -5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.398 -3.901 -5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.689 -4.205 -6.916 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.954 -5.117 -4.759 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.808 -5.979 -6.685 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.584 -7.713 -6.433 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.685 -7.344 -4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.830 -8.480 -5.184 1.00 0.00 H new ATOM 374 N THR A 25 -7.654 -1.802 -4.830 1.00 0.00 N ATOM 375 CA THR A 25 -7.120 -1.599 -3.493 1.00 0.00 C ATOM 376 C THR A 25 -7.239 -0.136 -3.066 1.00 0.00 C ATOM 377 O THR A 25 -7.628 0.129 -1.934 1.00 0.00 O ATOM 378 CB THR A 25 -5.668 -2.070 -3.461 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.626 -3.452 -3.737 1.00 0.00 O ATOM 380 CG2 THR A 25 -5.047 -1.806 -2.096 1.00 0.00 C ATOM 0 H THR A 25 -6.983 -2.181 -5.498 1.00 0.00 H new ATOM 0 HA THR A 25 -7.702 -2.184 -2.781 1.00 0.00 H new ATOM 0 HB THR A 25 -5.101 -1.520 -4.212 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.089 -3.942 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.012 -2.149 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.075 -0.737 -1.884 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.608 -2.343 -1.331 1.00 0.00 H new ATOM 387 N SER A 26 -6.910 0.796 -3.966 1.00 0.00 N ATOM 388 CA SER A 26 -7.011 2.242 -3.748 1.00 0.00 C ATOM 389 C SER A 26 -6.228 2.782 -2.535 1.00 0.00 C ATOM 390 O SER A 26 -5.924 2.054 -1.595 1.00 0.00 O ATOM 391 CB SER A 26 -8.491 2.613 -3.670 1.00 0.00 C ATOM 392 OG SER A 26 -9.095 2.436 -4.934 1.00 0.00 O ATOM 0 H SER A 26 -6.556 0.558 -4.893 1.00 0.00 H new ATOM 0 HA SER A 26 -6.528 2.726 -4.597 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.992 1.993 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.599 3.648 -3.347 1.00 0.00 H new ATOM 0 HG SER A 26 -10.044 2.673 -4.879 1.00 0.00 H new ATOM 398 N PRO A 27 -5.891 4.082 -2.550 1.00 0.00 N ATOM 399 CA PRO A 27 -5.150 4.747 -1.481 1.00 0.00 C ATOM 400 C PRO A 27 -5.952 4.803 -0.186 1.00 0.00 C ATOM 401 O PRO A 27 -5.370 4.905 0.888 1.00 0.00 O ATOM 402 CB PRO A 27 -4.859 6.156 -2.005 1.00 0.00 C ATOM 403 CG PRO A 27 -5.879 6.390 -3.112 1.00 0.00 C ATOM 404 CD PRO A 27 -6.204 4.998 -3.633 1.00 0.00 C ATOM 0 HA PRO A 27 -4.237 4.204 -1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.960 6.899 -1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.840 6.232 -2.386 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.770 6.889 -2.731 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.471 7.023 -3.900 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.254 4.923 -3.917 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.616 4.767 -4.522 1.00 0.00 H new ATOM 412 N ASP A 28 -7.280 4.737 -0.282 1.00 0.00 N ATOM 413 CA ASP A 28 -8.157 4.814 0.872 1.00 0.00 C ATOM 414 C ASP A 28 -8.016 3.590 1.773 1.00 0.00 C ATOM 415 O ASP A 28 -7.848 3.726 2.990 1.00 0.00 O ATOM 416 CB ASP A 28 -9.586 4.901 0.343 1.00 0.00 C ATOM 417 CG ASP A 28 -9.827 6.222 -0.382 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.128 7.217 0.314 1.00 0.00 O ATOM 419 OD2 ASP A 28 -9.712 6.226 -1.628 1.00 0.00 O ATOM 0 H ASP A 28 -7.773 4.628 -1.168 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.895 5.685 1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.776 4.070 -0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.289 4.804 1.170 1.00 0.00 H new ATOM 424 N THR A 29 -8.075 2.392 1.181 1.00 0.00 N ATOM 425 CA THR A 29 -7.993 1.166 1.954 1.00 0.00 C ATOM 426 C THR A 29 -6.603 1.069 2.546 1.00 0.00 C ATOM 427 O THR A 29 -6.443 0.704 3.706 1.00 0.00 O ATOM 428 CB THR A 29 -8.253 -0.039 1.055 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.464 0.137 0.351 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.349 -1.323 1.877 1.00 0.00 C ATOM 0 H THR A 29 -8.179 2.254 0.176 1.00 0.00 H new ATOM 0 HA THR A 29 -8.742 1.176 2.746 1.00 0.00 H new ATOM 0 HB THR A 29 -7.420 -0.121 0.357 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.279 0.194 -0.610 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.535 -2.167 1.213 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.414 -1.482 2.414 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.167 -1.237 2.592 1.00 0.00 H new ATOM 437 N LEU A 30 -5.593 1.401 1.745 1.00 0.00 N ATOM 438 CA LEU A 30 -4.218 1.366 2.201 1.00 0.00 C ATOM 439 C LEU A 30 -4.030 2.331 3.362 1.00 0.00 C ATOM 440 O LEU A 30 -3.210 2.077 4.241 1.00 0.00 O ATOM 441 CB LEU A 30 -3.303 1.766 1.051 1.00 0.00 C ATOM 442 CG LEU A 30 -3.360 0.768 -0.109 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.722 1.413 -1.336 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.609 -0.516 0.240 1.00 0.00 C ATOM 0 H LEU A 30 -5.708 1.697 0.776 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.972 0.358 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.586 2.755 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.278 1.840 1.414 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.400 0.511 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.754 0.715 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.270 2.318 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.685 1.667 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.664 -1.209 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.565 -0.282 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.061 -0.975 1.119 1.00 0.00 H new ATOM 456 N ARG A 31 -4.779 3.438 3.382 1.00 0.00 N ATOM 457 CA ARG A 31 -4.604 4.442 4.419 1.00 0.00 C ATOM 458 C ARG A 31 -4.885 3.829 5.783 1.00 0.00 C ATOM 459 O ARG A 31 -4.033 3.875 6.667 1.00 0.00 O ATOM 460 CB ARG A 31 -5.549 5.619 4.154 1.00 0.00 C ATOM 461 CG ARG A 31 -5.004 6.948 4.682 1.00 0.00 C ATOM 462 CD ARG A 31 -4.494 6.855 6.114 1.00 0.00 C ATOM 463 NE ARG A 31 -4.093 8.176 6.616 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.899 9.000 7.294 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.161 8.660 7.556 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.442 10.175 7.711 1.00 0.00 N ATOM 0 H ARG A 31 -5.503 3.654 2.697 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.576 4.805 4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.724 5.704 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.514 5.416 4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.194 7.285 4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.789 7.703 4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.272 6.439 6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.646 6.172 6.158 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.138 8.485 6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.523 7.761 7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.764 9.299 8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.479 10.447 7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.054 10.806 8.228 1.00 0.00 H new ATOM 480 N ARG A 32 -6.078 3.253 5.949 1.00 0.00 N ATOM 481 CA ARG A 32 -6.485 2.686 7.230 1.00 0.00 C ATOM 482 C ARG A 32 -5.908 1.287 7.456 1.00 0.00 C ATOM 483 O ARG A 32 -6.017 0.751 8.554 1.00 0.00 O ATOM 484 CB ARG A 32 -8.011 2.680 7.303 1.00 0.00 C ATOM 485 CG ARG A 32 -8.614 1.759 6.238 1.00 0.00 C ATOM 486 CD ARG A 32 -9.852 2.420 5.641 1.00 0.00 C ATOM 487 NE ARG A 32 -10.509 1.540 4.668 1.00 0.00 N ATOM 488 CZ ARG A 32 -11.291 1.974 3.673 1.00 0.00 C ATOM 489 NH1 ARG A 32 -11.525 3.273 3.520 1.00 0.00 N ATOM 490 NH2 ARG A 32 -11.841 1.110 2.831 1.00 0.00 N ATOM 0 H ARG A 32 -6.777 3.169 5.211 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.083 3.307 8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.329 2.352 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.388 3.694 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.881 1.560 5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.878 0.798 6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.552 2.672 6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.570 3.355 5.157 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.360 0.535 4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.107 3.946 4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.122 3.598 2.759 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.668 0.111 2.941 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.437 1.445 2.074 1.00 0.00 H new ATOM 504 N VAL A 33 -5.298 0.697 6.425 1.00 0.00 N ATOM 505 CA VAL A 33 -4.598 -0.583 6.529 1.00 0.00 C ATOM 506 C VAL A 33 -3.154 -0.399 6.984 1.00 0.00 C ATOM 507 O VAL A 33 -2.519 -1.359 7.411 1.00 0.00 O ATOM 508 CB VAL A 33 -4.649 -1.269 5.166 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.593 -2.359 4.993 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.030 -1.910 5.026 1.00 0.00 C ATOM 0 H VAL A 33 -5.277 1.099 5.488 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.089 -1.200 7.281 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.452 -0.513 4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.688 -2.803 4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.600 -1.924 5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.737 -3.129 5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.102 -2.411 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.176 -2.638 5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.798 -1.139 5.093 1.00 0.00 H new ATOM 520 N PHE A 34 -2.631 0.825 6.901 1.00 0.00 N ATOM 521 CA PHE A 34 -1.242 1.083 7.238 1.00 0.00 C ATOM 522 C PHE A 34 -1.113 2.122 8.338 1.00 0.00 C ATOM 523 O PHE A 34 -0.250 1.987 9.203 1.00 0.00 O ATOM 524 CB PHE A 34 -0.524 1.557 5.975 1.00 0.00 C ATOM 525 CG PHE A 34 0.020 0.427 5.144 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.197 -0.212 5.544 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.644 0.022 3.983 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.709 -1.278 4.791 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.128 -1.034 3.218 1.00 0.00 C ATOM 530 CZ PHE A 34 1.042 -1.693 3.630 1.00 0.00 C ATOM 0 H PHE A 34 -3.153 1.649 6.603 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.791 0.165 7.614 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.215 2.144 5.370 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.295 2.219 6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.713 0.116 6.434 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.551 0.521 3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.614 -1.778 5.104 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.630 -1.340 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.428 -2.520 3.052 1.00 0.00 H new ATOM 540 N GLU A 35 -1.951 3.156 8.329 1.00 0.00 N ATOM 541 CA GLU A 35 -1.858 4.165 9.363 1.00 0.00 C ATOM 542 C GLU A 35 -2.256 3.576 10.709 1.00 0.00 C ATOM 543 O GLU A 35 -1.959 4.140 11.755 1.00 0.00 O ATOM 544 CB GLU A 35 -2.711 5.391 9.021 1.00 0.00 C ATOM 545 CG GLU A 35 -4.182 5.262 9.399 1.00 0.00 C ATOM 546 CD GLU A 35 -4.441 5.598 10.867 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.934 6.645 11.322 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.152 4.804 11.525 1.00 0.00 O ATOM 0 H GLU A 35 -2.681 3.310 7.634 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.822 4.498 9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.294 6.261 9.528 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.639 5.581 7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.775 5.924 8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.518 4.245 9.198 1.00 0.00 H new ATOM 555 N LYS A 36 -2.936 2.424 10.669 1.00 0.00 N ATOM 556 CA LYS A 36 -3.443 1.769 11.858 1.00 0.00 C ATOM 557 C LYS A 36 -2.316 1.404 12.807 1.00 0.00 C ATOM 558 O LYS A 36 -2.504 1.414 14.024 1.00 0.00 O ATOM 559 CB LYS A 36 -4.213 0.518 11.441 1.00 0.00 C ATOM 560 CG LYS A 36 -3.300 -0.528 10.791 1.00 0.00 C ATOM 561 CD LYS A 36 -4.091 -1.651 10.111 1.00 0.00 C ATOM 562 CE LYS A 36 -5.165 -2.221 11.029 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.752 -3.449 10.462 1.00 0.00 N ATOM 0 H LYS A 36 -3.145 1.927 9.803 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.106 2.454 12.386 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.698 0.083 12.315 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.003 0.794 10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.660 -0.041 10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.645 -0.956 11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.555 -1.270 9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.409 -2.447 9.812 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.734 -2.438 12.006 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.947 -1.478 11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.480 -3.816 11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.183 -3.234 9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.007 -4.164 10.338 1.00 0.00 H new ATOM 577 N TYR A 37 -1.146 1.080 12.255 1.00 0.00 N ATOM 578 CA TYR A 37 -0.001 0.724 13.067 1.00 0.00 C ATOM 579 C TYR A 37 0.628 1.959 13.710 1.00 0.00 C ATOM 580 O TYR A 37 1.333 1.845 14.708 1.00 0.00 O ATOM 581 CB TYR A 37 1.031 0.015 12.197 1.00 0.00 C ATOM 582 CG TYR A 37 0.515 -1.283 11.629 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.637 -2.460 12.379 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.093 -1.308 10.365 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.152 -3.672 11.868 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.585 -2.513 9.852 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.468 -3.703 10.602 1.00 0.00 C ATOM 588 OH TYR A 37 -0.954 -4.874 10.111 1.00 0.00 O ATOM 0 H TYR A 37 -0.975 1.059 11.250 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.336 0.062 13.866 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.326 0.673 11.380 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.926 -0.181 12.788 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.105 -2.434 13.352 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.181 -0.399 9.789 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.253 -4.581 12.443 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.055 -2.533 8.880 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.971 -4.836 9.132 1.00 0.00 H new ATOM 598 N GLY A 38 0.371 3.142 13.143 1.00 0.00 N ATOM 599 CA GLY A 38 0.843 4.392 13.722 1.00 0.00 C ATOM 600 C GLY A 38 0.303 5.599 12.961 1.00 0.00 C ATOM 601 O GLY A 38 -0.491 6.361 13.509 1.00 0.00 O ATOM 0 H GLY A 38 -0.163 3.254 12.281 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.534 4.450 14.766 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.933 4.411 13.711 1.00 0.00 H new ATOM 605 N ARG A 39 0.729 5.769 11.703 1.00 0.00 N ATOM 606 CA ARG A 39 0.232 6.833 10.841 1.00 0.00 C ATOM 607 C ARG A 39 0.696 6.618 9.411 1.00 0.00 C ATOM 608 O ARG A 39 1.551 5.778 9.145 1.00 0.00 O ATOM 609 CB ARG A 39 0.760 8.182 11.344 1.00 0.00 C ATOM 610 CG ARG A 39 -0.162 9.365 11.030 1.00 0.00 C ATOM 611 CD ARG A 39 -1.512 9.175 11.709 1.00 0.00 C ATOM 612 NE ARG A 39 -2.316 10.404 11.631 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.651 10.447 11.659 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.374 9.334 11.726 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.278 11.620 11.613 1.00 0.00 N ATOM 0 H ARG A 39 1.427 5.171 11.261 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.858 6.824 10.865 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.907 8.124 12.423 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.737 8.367 10.899 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.297 10.293 11.370 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.298 9.453 9.952 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.049 8.353 11.235 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.363 8.899 12.753 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.817 11.290 11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.911 8.426 11.757 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.392 9.388 11.746 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.739 12.484 11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.297 11.655 11.634 1.00 0.00 H new ATOM 629 N VAL A 40 0.122 7.394 8.494 1.00 0.00 N ATOM 630 CA VAL A 40 0.492 7.386 7.087 1.00 0.00 C ATOM 631 C VAL A 40 0.708 8.824 6.642 1.00 0.00 C ATOM 632 O VAL A 40 -0.242 9.544 6.343 1.00 0.00 O ATOM 633 CB VAL A 40 -0.597 6.700 6.258 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.412 6.922 4.767 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.553 5.190 6.441 1.00 0.00 C ATOM 0 H VAL A 40 -0.624 8.054 8.714 1.00 0.00 H new ATOM 0 HA VAL A 40 1.414 6.823 6.938 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.535 7.133 6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.209 6.416 4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.446 7.990 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.552 6.520 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.337 4.728 5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.418 4.813 6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.709 4.946 7.492 1.00 0.00 H new ATOM 645 N GLY A 41 1.976 9.236 6.608 1.00 0.00 N ATOM 646 CA GLY A 41 2.360 10.569 6.169 1.00 0.00 C ATOM 647 C GLY A 41 1.954 10.838 4.722 1.00 0.00 C ATOM 648 O GLY A 41 1.719 11.986 4.352 1.00 0.00 O ATOM 0 H GLY A 41 2.764 8.650 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.897 11.311 6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.439 10.686 6.270 1.00 0.00 H new ATOM 652 N ASP A 42 1.869 9.786 3.900 1.00 0.00 N ATOM 653 CA ASP A 42 1.520 9.895 2.489 1.00 0.00 C ATOM 654 C ASP A 42 0.915 8.581 2.013 1.00 0.00 C ATOM 655 O ASP A 42 1.353 7.511 2.434 1.00 0.00 O ATOM 656 CB ASP A 42 2.799 10.153 1.688 1.00 0.00 C ATOM 657 CG ASP A 42 3.288 11.596 1.795 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.541 12.495 1.349 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.406 11.781 2.319 1.00 0.00 O ATOM 0 H ASP A 42 2.043 8.828 4.204 1.00 0.00 H new ATOM 0 HA ASP A 42 0.805 10.706 2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.583 9.482 2.040 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.620 9.912 0.640 1.00 0.00 H new ATOM 664 N VAL A 43 -0.090 8.648 1.141 1.00 0.00 N ATOM 665 CA VAL A 43 -0.698 7.459 0.564 1.00 0.00 C ATOM 666 C VAL A 43 -1.232 7.831 -0.814 1.00 0.00 C ATOM 667 O VAL A 43 -2.154 8.639 -0.942 1.00 0.00 O ATOM 668 CB VAL A 43 -1.767 6.901 1.526 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.203 7.318 1.217 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.704 5.381 1.627 1.00 0.00 C ATOM 0 H VAL A 43 -0.501 9.524 0.819 1.00 0.00 H new ATOM 0 HA VAL A 43 0.023 6.652 0.430 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.508 7.357 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.877 6.874 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.284 8.404 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.475 6.974 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.474 5.030 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.870 4.944 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.723 5.081 1.996 1.00 0.00 H new ATOM 680 N TYR A 44 -0.656 7.243 -1.864 1.00 0.00 N ATOM 681 CA TYR A 44 -1.141 7.494 -3.215 1.00 0.00 C ATOM 682 C TYR A 44 -0.792 6.338 -4.145 1.00 0.00 C ATOM 683 O TYR A 44 0.005 5.469 -3.792 1.00 0.00 O ATOM 684 CB TYR A 44 -0.564 8.810 -3.747 1.00 0.00 C ATOM 685 CG TYR A 44 0.799 8.694 -4.390 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.966 8.837 -3.626 1.00 0.00 C ATOM 687 CD2 TYR A 44 0.889 8.448 -5.771 1.00 0.00 C ATOM 688 CE1 TYR A 44 3.224 8.765 -4.243 1.00 0.00 C ATOM 689 CE2 TYR A 44 2.139 8.366 -6.391 1.00 0.00 C ATOM 690 CZ TYR A 44 3.315 8.537 -5.632 1.00 0.00 C ATOM 691 OH TYR A 44 4.536 8.481 -6.235 1.00 0.00 O ATOM 0 H TYR A 44 0.134 6.600 -1.804 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.227 7.577 -3.180 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.259 9.226 -4.476 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.502 9.522 -2.924 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.896 9.003 -2.561 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.011 8.322 -6.355 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.122 8.884 -3.655 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.204 8.172 -7.451 1.00 0.00 H new ATOM 0 HH TYR A 44 5.008 7.673 -5.944 1.00 0.00 H new ATOM 701 N ILE A 45 -1.389 6.333 -5.339 1.00 0.00 N ATOM 702 CA ILE A 45 -1.159 5.296 -6.332 1.00 0.00 C ATOM 703 C ILE A 45 -0.685 5.968 -7.626 1.00 0.00 C ATOM 704 O ILE A 45 -1.437 6.732 -8.226 1.00 0.00 O ATOM 705 CB ILE A 45 -2.444 4.480 -6.558 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.773 3.481 -5.440 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.283 3.635 -7.823 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.013 4.118 -4.080 1.00 0.00 C ATOM 0 H ILE A 45 -2.046 7.053 -5.640 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.393 4.601 -5.987 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.242 5.220 -6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.660 2.915 -5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.954 2.767 -5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.190 3.054 -7.990 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.109 4.289 -8.678 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.436 2.960 -7.704 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.239 3.341 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.120 4.660 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.853 4.810 -4.145 1.00 0.00 H new ATOM 720 N PRO A 46 0.551 5.683 -8.062 1.00 0.00 N ATOM 721 CA PRO A 46 1.133 6.142 -9.318 1.00 0.00 C ATOM 722 C PRO A 46 0.510 5.415 -10.513 1.00 0.00 C ATOM 723 O PRO A 46 1.220 4.826 -11.327 1.00 0.00 O ATOM 724 CB PRO A 46 2.630 5.874 -9.191 1.00 0.00 C ATOM 725 CG PRO A 46 2.690 4.673 -8.255 1.00 0.00 C ATOM 726 CD PRO A 46 1.508 4.882 -7.323 1.00 0.00 C ATOM 0 HA PRO A 46 0.941 7.200 -9.498 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.083 5.654 -10.158 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.159 6.733 -8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.607 3.734 -8.803 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.631 4.640 -7.706 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.072 3.928 -7.027 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.817 5.389 -6.409 1.00 0.00 H new ATOM 900 N GLY A 56 -0.074 -1.273 -11.188 1.00 0.00 N ATOM 901 CA GLY A 56 -0.098 -2.501 -10.406 1.00 0.00 C ATOM 902 C GLY A 56 0.551 -2.338 -9.033 1.00 0.00 C ATOM 903 O GLY A 56 0.775 -3.332 -8.355 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.131 -2.826 -10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.418 -3.288 -10.956 1.00 0.00 H new ATOM 907 N PHE A 57 0.857 -1.105 -8.617 1.00 0.00 N ATOM 908 CA PHE A 57 1.495 -0.838 -7.335 1.00 0.00 C ATOM 909 C PHE A 57 1.076 0.530 -6.805 1.00 0.00 C ATOM 910 O PHE A 57 0.651 1.399 -7.565 1.00 0.00 O ATOM 911 CB PHE A 57 3.015 -0.897 -7.501 1.00 0.00 C ATOM 912 CG PHE A 57 3.631 0.321 -8.157 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.475 0.561 -9.531 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.366 1.223 -7.375 1.00 0.00 C ATOM 915 CE1 PHE A 57 4.043 1.706 -10.110 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.933 2.364 -7.951 1.00 0.00 C ATOM 917 CZ PHE A 57 4.762 2.614 -9.316 1.00 0.00 C ATOM 0 H PHE A 57 0.667 -0.266 -9.165 1.00 0.00 H new ATOM 0 HA PHE A 57 1.180 -1.594 -6.616 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.468 -1.031 -6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.268 -1.777 -8.092 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.919 -0.135 -10.142 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.495 1.035 -6.319 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.927 1.889 -11.168 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.502 3.051 -7.342 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.182 3.505 -9.759 1.00 0.00 H new ATOM 927 N ALA A 58 1.202 0.701 -5.490 1.00 0.00 N ATOM 928 CA ALA A 58 0.848 1.927 -4.811 1.00 0.00 C ATOM 929 C ALA A 58 2.119 2.622 -4.351 1.00 0.00 C ATOM 930 O ALA A 58 3.210 2.341 -4.843 1.00 0.00 O ATOM 931 CB ALA A 58 -0.065 1.600 -3.630 1.00 0.00 C ATOM 0 H ALA A 58 1.558 -0.023 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 58 0.312 2.598 -5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.336 2.521 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.968 1.109 -3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.456 0.937 -2.940 1.00 0.00 H new ATOM 937 N PHE A 59 1.975 3.538 -3.399 1.00 0.00 N ATOM 938 CA PHE A 59 3.085 4.270 -2.836 1.00 0.00 C ATOM 939 C PHE A 59 2.638 4.833 -1.513 1.00 0.00 C ATOM 940 O PHE A 59 2.503 6.048 -1.351 1.00 0.00 O ATOM 941 CB PHE A 59 3.513 5.354 -3.833 1.00 0.00 C ATOM 942 CG PHE A 59 4.985 5.686 -3.852 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.717 5.875 -2.669 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.626 5.804 -5.097 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.084 6.188 -2.739 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.991 6.109 -5.162 1.00 0.00 C ATOM 947 CZ PHE A 59 7.717 6.305 -3.985 1.00 0.00 C ATOM 0 H PHE A 59 1.072 3.790 -2.998 1.00 0.00 H new ATOM 0 HA PHE A 59 3.954 3.636 -2.658 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.219 5.037 -4.834 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.957 6.265 -3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.231 5.780 -1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.063 5.659 -6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.649 6.339 -1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.482 6.193 -6.121 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.768 6.547 -4.035 1.00 0.00 H new ATOM 957 N VAL A 60 2.397 3.938 -0.552 1.00 0.00 N ATOM 958 CA VAL A 60 2.194 4.510 0.774 1.00 0.00 C ATOM 959 C VAL A 60 3.570 4.916 1.263 1.00 0.00 C ATOM 960 O VAL A 60 4.523 4.177 1.044 1.00 0.00 O ATOM 961 CB VAL A 60 1.484 3.620 1.791 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.416 2.705 1.190 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.420 2.920 2.778 1.00 0.00 C ATOM 0 H VAL A 60 2.342 2.924 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 60 1.504 5.349 0.680 1.00 0.00 H new ATOM 0 HB VAL A 60 0.922 4.322 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.038 2.108 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.351 3.310 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.875 2.044 0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.834 2.309 3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.117 2.285 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.977 3.667 3.343 1.00 0.00 H new ATOM 973 N ARG A 61 3.672 6.073 1.915 1.00 0.00 N ATOM 974 CA ARG A 61 4.929 6.547 2.453 1.00 0.00 C ATOM 975 C ARG A 61 4.751 7.012 3.870 1.00 0.00 C ATOM 976 O ARG A 61 3.791 7.696 4.227 1.00 0.00 O ATOM 977 CB ARG A 61 5.579 7.593 1.543 1.00 0.00 C ATOM 978 CG ARG A 61 6.488 8.524 2.347 1.00 0.00 C ATOM 979 CD ARG A 61 7.248 9.482 1.430 1.00 0.00 C ATOM 980 NE ARG A 61 8.340 10.135 2.165 1.00 0.00 N ATOM 981 CZ ARG A 61 8.237 11.269 2.862 1.00 0.00 C ATOM 982 NH1 ARG A 61 7.085 11.931 2.949 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.311 11.749 3.484 1.00 0.00 N ATOM 0 H ARG A 61 2.885 6.700 2.080 1.00 0.00 H new ATOM 0 HA ARG A 61 5.633 5.715 2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.158 7.095 0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.806 8.176 1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.891 9.094 3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.197 7.933 2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.651 8.936 0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.566 10.235 1.034 1.00 0.00 H new ATOM 0 HE ARG A 61 9.254 9.684 2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.255 11.574 2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.033 12.795 3.488 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.199 11.251 3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.246 12.614 4.020 1.00 0.00 H new ATOM 997 N PHE A 62 5.727 6.604 4.671 1.00 0.00 N ATOM 998 CA PHE A 62 5.698 6.885 6.096 1.00 0.00 C ATOM 999 C PHE A 62 6.757 7.911 6.428 1.00 0.00 C ATOM 1000 O PHE A 62 7.873 7.832 5.923 1.00 0.00 O ATOM 1001 CB PHE A 62 5.910 5.605 6.900 1.00 0.00 C ATOM 1002 CG PHE A 62 4.660 4.776 7.072 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.744 4.600 6.019 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.413 4.191 8.320 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.570 3.863 6.216 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.258 3.432 8.517 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.343 3.271 7.472 1.00 0.00 C ATOM 0 H PHE A 62 6.544 6.080 4.358 1.00 0.00 H new ATOM 0 HA PHE A 62 4.720 7.287 6.363 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.671 5.000 6.407 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.299 5.866 7.884 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.948 5.036 5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.115 4.327 9.129 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.851 3.751 5.418 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.071 2.970 9.475 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.450 2.684 7.631 1.00 0.00 H new ATOM 1017 N HIS A 63 6.369 8.861 7.281 1.00 0.00 N ATOM 1018 CA HIS A 63 7.180 9.975 7.746 1.00 0.00 C ATOM 1019 C HIS A 63 8.055 9.565 8.935 1.00 0.00 C ATOM 1020 O HIS A 63 8.888 10.351 9.383 1.00 0.00 O ATOM 1021 CB HIS A 63 6.218 11.089 8.181 1.00 0.00 C ATOM 1022 CG HIS A 63 5.176 10.594 9.153 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.372 9.586 10.094 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.889 11.043 9.253 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.203 9.444 10.732 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.296 10.314 10.255 1.00 0.00 N ATOM 0 H HIS A 63 5.432 8.870 7.683 1.00 0.00 H new ATOM 0 HA HIS A 63 7.843 10.307 6.947 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.786 11.898 8.640 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.725 11.504 7.302 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.428 11.819 8.660 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.015 8.730 11.520 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.335 10.415 10.580 1.00 0.00 H new ATOM 1034 N ASP A 64 7.868 8.342 9.443 1.00 0.00 N ATOM 1035 CA ASP A 64 8.583 7.847 10.607 1.00 0.00 C ATOM 1036 C ASP A 64 8.804 6.345 10.460 1.00 0.00 C ATOM 1037 O ASP A 64 7.849 5.567 10.429 1.00 0.00 O ATOM 1038 CB ASP A 64 7.782 8.165 11.875 1.00 0.00 C ATOM 1039 CG ASP A 64 8.569 7.854 13.149 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.495 7.015 13.078 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.237 8.468 14.188 1.00 0.00 O ATOM 0 H ASP A 64 7.210 7.669 9.050 1.00 0.00 H new ATOM 0 HA ASP A 64 9.555 8.335 10.686 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.502 9.218 11.871 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.857 7.589 11.872 1.00 0.00 H new ATOM 1046 N LYS A 65 10.075 5.954 10.373 1.00 0.00 N ATOM 1047 CA LYS A 65 10.479 4.565 10.209 1.00 0.00 C ATOM 1048 C LYS A 65 9.948 3.657 11.309 1.00 0.00 C ATOM 1049 O LYS A 65 9.782 2.470 11.063 1.00 0.00 O ATOM 1050 CB LYS A 65 11.998 4.488 10.133 1.00 0.00 C ATOM 1051 CG LYS A 65 12.657 4.855 11.464 1.00 0.00 C ATOM 1052 CD LYS A 65 14.122 5.256 11.262 1.00 0.00 C ATOM 1053 CE LYS A 65 14.914 4.151 10.566 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.301 4.580 10.308 1.00 0.00 N ATOM 0 H LYS A 65 10.860 6.604 10.415 1.00 0.00 H new ATOM 0 HA LYS A 65 10.040 4.202 9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.296 3.479 9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.357 5.160 9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.112 5.677 11.929 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.599 4.008 12.148 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.172 6.169 10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.576 5.478 12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.916 3.254 11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.430 3.888 9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.819 3.813 9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.296 5.422 9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.767 4.808 11.209 1.00 0.00 H new ATOM 1068 N ARG A 66 9.682 4.181 12.507 1.00 0.00 N ATOM 1069 CA ARG A 66 9.197 3.354 13.608 1.00 0.00 C ATOM 1070 C ARG A 66 7.808 2.816 13.288 1.00 0.00 C ATOM 1071 O ARG A 66 7.549 1.620 13.428 1.00 0.00 O ATOM 1072 CB ARG A 66 9.170 4.184 14.894 1.00 0.00 C ATOM 1073 CG ARG A 66 10.572 4.651 15.306 1.00 0.00 C ATOM 1074 CD ARG A 66 11.490 3.473 15.634 1.00 0.00 C ATOM 1075 NE ARG A 66 10.991 2.717 16.790 1.00 0.00 N ATOM 1076 CZ ARG A 66 11.008 1.385 16.892 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.478 0.620 15.912 1.00 0.00 N ATOM 1078 NH2 ARG A 66 10.549 0.802 17.997 1.00 0.00 N ATOM 0 H ARG A 66 9.794 5.168 12.737 1.00 0.00 H new ATOM 0 HA ARG A 66 9.867 2.506 13.747 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.526 5.052 14.752 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.734 3.592 15.699 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.010 5.240 14.500 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.496 5.306 16.174 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.563 2.814 14.769 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.495 3.839 15.842 1.00 0.00 H new ATOM 0 HE ARG A 66 10.604 3.247 17.571 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.836 1.048 15.058 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.480 -0.395 16.014 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.186 1.372 18.761 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.560 -0.215 18.079 1.00 0.00 H new ATOM 1092 N ASP A 67 6.913 3.704 12.856 1.00 0.00 N ATOM 1093 CA ASP A 67 5.567 3.296 12.492 1.00 0.00 C ATOM 1094 C ASP A 67 5.615 2.442 11.229 1.00 0.00 C ATOM 1095 O ASP A 67 4.729 1.611 11.012 1.00 0.00 O ATOM 1096 CB ASP A 67 4.695 4.536 12.260 1.00 0.00 C ATOM 1097 CG ASP A 67 4.557 5.386 13.520 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.401 4.791 14.610 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.612 6.628 13.386 1.00 0.00 O ATOM 0 H ASP A 67 7.098 4.702 12.752 1.00 0.00 H new ATOM 0 HA ASP A 67 5.135 2.708 13.301 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.129 5.139 11.462 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.706 4.225 11.923 1.00 0.00 H new ATOM 1104 N ALA A 68 6.641 2.636 10.397 1.00 0.00 N ATOM 1105 CA ALA A 68 6.794 1.875 9.173 1.00 0.00 C ATOM 1106 C ALA A 68 7.370 0.489 9.454 1.00 0.00 C ATOM 1107 O ALA A 68 7.051 -0.460 8.745 1.00 0.00 O ATOM 1108 CB ALA A 68 7.740 2.637 8.254 1.00 0.00 C ATOM 0 H ALA A 68 7.379 3.321 10.558 1.00 0.00 H new ATOM 0 HA ALA A 68 5.817 1.746 8.708 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.870 2.082 7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.321 3.619 8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.706 2.756 8.744 1.00 0.00 H new ATOM 1114 N GLU A 69 8.218 0.364 10.483 1.00 0.00 N ATOM 1115 CA GLU A 69 8.826 -0.900 10.862 1.00 0.00 C ATOM 1116 C GLU A 69 7.760 -1.913 11.247 1.00 0.00 C ATOM 1117 O GLU A 69 7.772 -3.043 10.755 1.00 0.00 O ATOM 1118 CB GLU A 69 9.746 -0.703 12.069 1.00 0.00 C ATOM 1119 CG GLU A 69 11.165 -0.340 11.632 1.00 0.00 C ATOM 1120 CD GLU A 69 12.085 -0.183 12.839 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.597 -1.220 13.306 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.268 0.972 13.284 1.00 0.00 O ATOM 0 H GLU A 69 8.498 1.147 11.074 1.00 0.00 H new ATOM 0 HA GLU A 69 9.394 -1.264 10.006 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.347 0.085 12.708 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.769 -1.616 12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.555 -1.114 10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.147 0.588 11.060 1.00 0.00 H new ATOM 1129 N ASP A 70 6.831 -1.519 12.123 1.00 0.00 N ATOM 1130 CA ASP A 70 5.837 -2.472 12.580 1.00 0.00 C ATOM 1131 C ASP A 70 4.821 -2.771 11.476 1.00 0.00 C ATOM 1132 O ASP A 70 4.450 -3.925 11.271 1.00 0.00 O ATOM 1133 CB ASP A 70 5.139 -1.929 13.821 1.00 0.00 C ATOM 1134 CG ASP A 70 6.121 -1.614 14.951 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.964 -2.490 15.242 1.00 0.00 O ATOM 1136 OD2 ASP A 70 6.014 -0.498 15.514 1.00 0.00 O ATOM 0 H ASP A 70 6.752 -0.580 12.514 1.00 0.00 H new ATOM 0 HA ASP A 70 6.337 -3.407 12.834 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.589 -1.025 13.559 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.408 -2.657 14.171 1.00 0.00 H new ATOM 1141 N ALA A 71 4.369 -1.734 10.764 1.00 0.00 N ATOM 1142 CA ALA A 71 3.401 -1.919 9.697 1.00 0.00 C ATOM 1143 C ALA A 71 3.960 -2.859 8.641 1.00 0.00 C ATOM 1144 O ALA A 71 3.280 -3.785 8.221 1.00 0.00 O ATOM 1145 CB ALA A 71 3.047 -0.563 9.087 1.00 0.00 C ATOM 0 H ALA A 71 4.660 -0.767 10.911 1.00 0.00 H new ATOM 0 HA ALA A 71 2.494 -2.367 10.103 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.321 -0.703 8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.620 0.082 9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.947 -0.099 8.683 1.00 0.00 H new ATOM 1151 N MET A 72 5.202 -2.632 8.205 1.00 0.00 N ATOM 1152 CA MET A 72 5.849 -3.459 7.194 1.00 0.00 C ATOM 1153 C MET A 72 6.038 -4.885 7.701 1.00 0.00 C ATOM 1154 O MET A 72 5.809 -5.839 6.958 1.00 0.00 O ATOM 1155 CB MET A 72 7.203 -2.822 6.873 1.00 0.00 C ATOM 1156 CG MET A 72 8.105 -3.726 6.038 1.00 0.00 C ATOM 1157 SD MET A 72 9.472 -2.842 5.241 1.00 0.00 S ATOM 1158 CE MET A 72 10.007 -1.785 6.611 1.00 0.00 C ATOM 0 H MET A 72 5.785 -1.867 8.546 1.00 0.00 H new ATOM 0 HA MET A 72 5.230 -3.512 6.299 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.040 -1.886 6.338 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.711 -2.572 7.805 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.512 -4.510 6.677 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.505 -4.218 5.272 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.039 -1.473 6.449 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.366 -0.905 6.663 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.939 -2.340 7.547 1.00 0.00 H new ATOM 1168 N ASP A 73 6.451 -5.032 8.962 1.00 0.00 N ATOM 1169 CA ASP A 73 6.621 -6.337 9.578 1.00 0.00 C ATOM 1170 C ASP A 73 5.272 -7.040 9.766 1.00 0.00 C ATOM 1171 O ASP A 73 5.231 -8.204 10.158 1.00 0.00 O ATOM 1172 CB ASP A 73 7.341 -6.156 10.914 1.00 0.00 C ATOM 1173 CG ASP A 73 7.660 -7.486 11.593 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.509 -8.225 11.040 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.062 -7.753 12.658 1.00 0.00 O ATOM 0 H ASP A 73 6.674 -4.250 9.577 1.00 0.00 H new ATOM 0 HA ASP A 73 7.220 -6.972 8.926 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.267 -5.604 10.752 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.722 -5.553 11.578 1.00 0.00 H new ATOM 1180 N ALA A 74 4.171 -6.336 9.489 1.00 0.00 N ATOM 1181 CA ALA A 74 2.828 -6.862 9.654 1.00 0.00 C ATOM 1182 C ALA A 74 1.966 -6.676 8.400 1.00 0.00 C ATOM 1183 O ALA A 74 0.765 -6.946 8.445 1.00 0.00 O ATOM 1184 CB ALA A 74 2.206 -6.169 10.863 1.00 0.00 C ATOM 0 H ALA A 74 4.195 -5.377 9.141 1.00 0.00 H new ATOM 0 HA ALA A 74 2.879 -7.939 9.814 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.193 -6.542 11.015 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.806 -6.375 11.749 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.174 -5.093 10.689 1.00 0.00 H new ATOM 1190 N MET A 75 2.552 -6.224 7.287 1.00 0.00 N ATOM 1191 CA MET A 75 1.809 -5.976 6.053 1.00 0.00 C ATOM 1192 C MET A 75 2.512 -6.510 4.812 1.00 0.00 C ATOM 1193 O MET A 75 1.855 -6.679 3.789 1.00 0.00 O ATOM 1194 CB MET A 75 1.568 -4.477 5.873 1.00 0.00 C ATOM 1195 CG MET A 75 0.478 -3.955 6.804 1.00 0.00 C ATOM 1196 SD MET A 75 -1.140 -4.739 6.561 1.00 0.00 S ATOM 1197 CE MET A 75 -1.250 -4.584 4.759 1.00 0.00 C ATOM 0 H MET A 75 3.549 -6.021 7.218 1.00 0.00 H new ATOM 0 HA MET A 75 0.865 -6.511 6.156 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.495 -3.936 6.062 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.287 -4.277 4.839 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.793 -4.108 7.836 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.375 -2.880 6.658 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.269 -4.798 4.437 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.982 -3.570 4.464 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.565 -5.291 4.291 1.00 0.00 H new ATOM 1207 N ASP A 76 3.818 -6.781 4.854 1.00 0.00 N ATOM 1208 CA ASP A 76 4.476 -7.369 3.702 1.00 0.00 C ATOM 1209 C ASP A 76 3.917 -8.769 3.452 1.00 0.00 C ATOM 1210 O ASP A 76 3.971 -9.635 4.323 1.00 0.00 O ATOM 1211 CB ASP A 76 5.986 -7.406 3.915 1.00 0.00 C ATOM 1212 CG ASP A 76 6.667 -8.057 2.723 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.758 -7.389 1.667 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.092 -9.220 2.874 1.00 0.00 O ATOM 0 H ASP A 76 4.423 -6.605 5.656 1.00 0.00 H new ATOM 0 HA ASP A 76 4.281 -6.757 2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.366 -6.394 4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.219 -7.960 4.824 1.00 0.00 H new ATOM 1219 N GLY A 77 3.374 -8.986 2.253 1.00 0.00 N ATOM 1220 CA GLY A 77 2.793 -10.261 1.855 1.00 0.00 C ATOM 1221 C GLY A 77 1.542 -10.598 2.663 1.00 0.00 C ATOM 1222 O GLY A 77 1.210 -11.771 2.824 1.00 0.00 O ATOM 0 H GLY A 77 3.327 -8.272 1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.542 -10.230 0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.532 -11.052 1.984 1.00 0.00 H new ATOM 1226 N ALA A 78 0.850 -9.577 3.172 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.304 -9.747 4.043 1.00 0.00 C ATOM 1228 C ALA A 78 -1.603 -9.970 3.266 1.00 0.00 C ATOM 1229 O ALA A 78 -2.663 -10.100 3.878 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.424 -8.534 4.966 1.00 0.00 C ATOM 0 H ALA A 78 1.081 -8.601 2.987 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.145 -10.648 4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.287 -8.658 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.479 -8.446 5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.549 -7.632 4.367 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.516 -10.013 1.928 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.622 -10.286 1.011 1.00 0.00 C ATOM 1238 C VAL A 79 -3.980 -9.800 1.532 1.00 0.00 C ATOM 1239 O VAL A 79 -4.845 -10.591 1.901 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.600 -11.768 0.593 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.552 -12.722 1.778 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.728 -12.109 -0.356 1.00 0.00 C ATOM 0 H VAL A 79 -0.635 -9.851 1.440 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.473 -9.691 0.110 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.665 -11.909 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.538 -13.750 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.652 -12.531 2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.431 -12.569 2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.672 -13.164 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.684 -11.907 0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.642 -11.501 -1.257 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.165 -8.475 1.563 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.435 -7.876 1.969 1.00 0.00 C ATOM 1254 C LEU A 80 -6.533 -8.016 0.909 1.00 0.00 C ATOM 1255 O LEU A 80 -7.660 -7.590 1.158 1.00 0.00 O ATOM 1256 CB LEU A 80 -5.220 -6.409 2.381 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.687 -5.488 1.278 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.733 -5.150 0.215 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -4.231 -4.173 1.896 1.00 0.00 C ATOM 0 H LEU A 80 -3.446 -7.797 1.310 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.795 -8.433 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.168 -6.007 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.525 -6.383 3.220 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.870 -6.027 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.290 -4.495 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.077 -6.068 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.578 -4.646 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.851 -3.516 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.073 -3.694 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.441 -4.367 2.622 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.234 -8.602 -0.261 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.239 -8.796 -1.301 1.00 0.00 C ATOM 1273 C ASP A 81 -7.132 -10.180 -1.945 1.00 0.00 C ATOM 1274 O ASP A 81 -8.155 -10.818 -2.191 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.106 -7.699 -2.358 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.126 -7.905 -3.476 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -7.806 -8.668 -4.416 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -9.218 -7.299 -3.384 1.00 0.00 O ATOM 0 H ASP A 81 -5.305 -8.947 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.223 -8.733 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.255 -6.722 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.098 -7.706 -2.772 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.911 -10.652 -2.217 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.681 -11.979 -2.784 1.00 0.00 C ATOM 1285 C GLY A 82 -4.599 -11.972 -3.861 1.00 0.00 C ATOM 1286 O GLY A 82 -4.656 -12.759 -4.804 1.00 0.00 O ATOM 0 H GLY A 82 -5.056 -10.122 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.393 -12.666 -1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.611 -12.355 -3.210 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.615 -11.079 -3.714 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.514 -10.922 -4.657 1.00 0.00 C ATOM 1292 C ARG A 83 -1.163 -10.778 -3.948 1.00 0.00 C ATOM 1293 O ARG A 83 -0.127 -11.019 -4.562 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.784 -9.696 -5.529 1.00 0.00 C ATOM 1295 CG ARG A 83 -3.262 -8.552 -4.632 1.00 0.00 C ATOM 1296 CD ARG A 83 -3.012 -7.211 -5.294 1.00 0.00 C ATOM 1297 NE ARG A 83 -3.505 -6.131 -4.433 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.870 -5.712 -3.337 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -1.727 -6.277 -2.960 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.384 -4.723 -2.617 1.00 0.00 N ATOM 0 H ARG A 83 -3.565 -10.437 -2.923 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.457 -11.821 -5.271 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.879 -9.405 -6.063 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.538 -9.926 -6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.326 -8.667 -4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.743 -8.593 -3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.946 -7.081 -5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.513 -7.174 -6.262 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.382 -5.675 -4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.328 -7.038 -3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.249 -5.950 -2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.261 -4.287 -2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.902 -4.399 -1.778 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.189 -10.390 -2.666 1.00 0.00 N ATOM 1315 CA GLU A 84 -0.070 -10.411 -1.727 1.00 0.00 C ATOM 1316 C GLU A 84 0.637 -9.056 -1.696 1.00 0.00 C ATOM 1317 O GLU A 84 1.545 -8.793 -2.482 1.00 0.00 O ATOM 1318 CB GLU A 84 0.878 -11.595 -1.977 1.00 0.00 C ATOM 1319 CG GLU A 84 1.071 -12.373 -0.674 1.00 0.00 C ATOM 1320 CD GLU A 84 2.212 -13.379 -0.803 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.378 -12.925 -0.849 1.00 0.00 O ATOM 1322 OE2 GLU A 84 1.912 -14.594 -0.851 1.00 0.00 O ATOM 0 H GLU A 84 -2.043 -10.033 -2.236 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.469 -10.577 -0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.467 -12.248 -2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.839 -11.235 -2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.283 -11.680 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.149 -12.894 -0.417 1.00 0.00 H new ATOM 1329 N LEU A 85 0.198 -8.196 -0.768 1.00 0.00 N ATOM 1330 CA LEU A 85 0.731 -6.857 -0.541 1.00 0.00 C ATOM 1331 C LEU A 85 2.259 -6.882 -0.465 1.00 0.00 C ATOM 1332 O LEU A 85 2.857 -7.921 -0.181 1.00 0.00 O ATOM 1333 CB LEU A 85 0.097 -6.357 0.769 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.238 -4.860 0.876 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.985 -3.958 0.796 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.212 -4.423 -0.215 1.00 0.00 C ATOM 0 H LEU A 85 -0.567 -8.427 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 85 0.487 -6.185 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.823 -6.919 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.773 -6.608 1.586 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.690 -4.749 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.675 -2.916 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.668 -4.199 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.489 -4.112 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.425 -3.360 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.769 -4.607 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.138 -4.990 -0.124 1.00 0.00 H new ATOM 1348 N ARG A 86 2.899 -5.740 -0.716 1.00 0.00 N ATOM 1349 CA ARG A 86 4.346 -5.615 -0.666 1.00 0.00 C ATOM 1350 C ARG A 86 4.715 -4.352 0.097 1.00 0.00 C ATOM 1351 O ARG A 86 4.126 -3.302 -0.139 1.00 0.00 O ATOM 1352 CB ARG A 86 4.898 -5.533 -2.090 1.00 0.00 C ATOM 1353 CG ARG A 86 4.733 -6.841 -2.855 1.00 0.00 C ATOM 1354 CD ARG A 86 5.516 -7.952 -2.154 1.00 0.00 C ATOM 1355 NE ARG A 86 5.461 -9.206 -2.916 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.892 -10.330 -2.479 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.275 -10.376 -1.302 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.929 -11.435 -3.221 1.00 0.00 N ATOM 0 H ARG A 86 2.420 -4.873 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 86 4.772 -6.482 -0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.389 -4.734 -2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.955 -5.269 -2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.678 -7.108 -2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.089 -6.722 -3.878 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.554 -7.645 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.109 -8.112 -1.156 1.00 0.00 H new ATOM 0 HE ARG A 86 5.887 -9.218 -3.843 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.231 -9.542 -0.716 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.846 -11.245 -0.985 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.394 -11.424 -4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.492 -12.292 -2.882 1.00 0.00 H new ATOM 1372 N VAL A 87 5.686 -4.455 1.005 1.00 0.00 N ATOM 1373 CA VAL A 87 6.104 -3.315 1.807 1.00 0.00 C ATOM 1374 C VAL A 87 7.620 -3.276 1.919 1.00 0.00 C ATOM 1375 O VAL A 87 8.271 -4.306 2.072 1.00 0.00 O ATOM 1376 CB VAL A 87 5.454 -3.395 3.187 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.694 -2.080 3.920 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.953 -3.692 3.113 1.00 0.00 C ATOM 0 H VAL A 87 6.195 -5.317 1.200 1.00 0.00 H new ATOM 0 HA VAL A 87 5.781 -2.394 1.323 1.00 0.00 H new ATOM 0 HB VAL A 87 5.910 -4.224 3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.234 -2.125 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.766 -1.913 4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.254 -1.261 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.541 -3.738 4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.453 -2.902 2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.795 -4.647 2.613 1.00 0.00 H new ATOM 1388 N GLN A 88 8.178 -2.063 1.841 1.00 0.00 N ATOM 1389 CA GLN A 88 9.614 -1.836 1.815 1.00 0.00 C ATOM 1390 C GLN A 88 9.917 -0.344 1.953 1.00 0.00 C ATOM 1391 O GLN A 88 9.139 0.499 1.527 1.00 0.00 O ATOM 1392 CB GLN A 88 10.173 -2.359 0.489 1.00 0.00 C ATOM 1393 CG GLN A 88 9.351 -1.856 -0.705 1.00 0.00 C ATOM 1394 CD GLN A 88 9.909 -2.339 -2.035 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.044 -2.803 -2.120 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.111 -2.238 -3.095 1.00 0.00 N ATOM 0 H GLN A 88 7.631 -1.204 1.794 1.00 0.00 H new ATOM 0 HA GLN A 88 10.080 -2.362 2.648 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.209 -2.040 0.379 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.174 -3.449 0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.320 -2.194 -0.602 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.331 -0.766 -0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.174 -1.848 -2.993 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.436 -2.550 -4.010 1.00 0.00 H new ATOM 1405 N MET A 89 11.059 -0.011 2.552 1.00 0.00 N ATOM 1406 CA MET A 89 11.518 1.365 2.652 1.00 0.00 C ATOM 1407 C MET A 89 11.580 2.015 1.270 1.00 0.00 C ATOM 1408 O MET A 89 11.953 1.375 0.284 1.00 0.00 O ATOM 1409 CB MET A 89 12.892 1.365 3.329 1.00 0.00 C ATOM 1410 CG MET A 89 12.686 0.990 4.795 1.00 0.00 C ATOM 1411 SD MET A 89 12.101 2.372 5.810 1.00 0.00 S ATOM 1412 CE MET A 89 11.383 1.454 7.194 1.00 0.00 C ATOM 0 H MET A 89 11.689 -0.690 2.980 1.00 0.00 H new ATOM 0 HA MET A 89 10.819 1.951 3.249 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.559 0.653 2.842 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.359 2.346 3.247 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.967 0.173 4.857 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.626 0.620 5.204 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.508 2.026 8.114 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.321 1.290 7.010 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.887 0.493 7.293 1.00 0.00 H new ATOM 1422 N ALA A 90 11.212 3.295 1.210 1.00 0.00 N ATOM 1423 CA ALA A 90 11.170 4.069 -0.024 1.00 0.00 C ATOM 1424 C ALA A 90 12.550 4.592 -0.420 1.00 0.00 C ATOM 1425 O ALA A 90 12.671 5.295 -1.421 1.00 0.00 O ATOM 1426 CB ALA A 90 10.188 5.226 0.155 1.00 0.00 C ATOM 0 H ALA A 90 10.931 3.829 2.032 1.00 0.00 H new ATOM 0 HA ALA A 90 10.838 3.417 -0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.147 5.814 -0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.197 4.831 0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.519 5.860 0.978 1.00 0.00 H new