USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 700 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 49 TYR OH : rot 148:sc= 1.46 USER MOD Set 1.2: A 67 THR OG1 : rot -33:sc= 1.42 USER MOD Set 1.3: A 70 SER OG : rot 168:sc= 1.83 USER MOD Set 2.1: A 40 THR OG1 : rot -7:sc= 0.244 USER MOD Set 2.2: A 78 SER OG : rot -52:sc= 0.479 USER MOD Set 3.1: A 26 THR OG1 : rot -173:sc= 0.928 USER MOD Set 3.2: A 28 SER OG : rot -57:sc= 1.1 USER MOD Single : A 1 ALA N :NH3+ 170:sc= 0 (180deg=-0.096) USER MOD Single : A 5 LYS NZ :NH3+ 142:sc= 0.013 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0.484 K(o=0.48,f=-1.8!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= 1.13 (180deg=0.904) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= 1.08 (180deg=0.971) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -68:sc= 0.829 USER MOD Single : A 29 SER OG : rot 176:sc= 0.878 USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= 0.903 (180deg=0.901) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.19) USER MOD Single : A 39 ASN : amide:sc= -0.0271 K(o=-0.027,f=-0.86) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 166:sc= 0 (180deg=-0.391) USER MOD Single : A 46 GLN : amide:sc= 0.87 K(o=0.87,f=-0.8) USER MOD Single : A 48 TYR OH : rot 165:sc= 0.539 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.467 K(o=-0.47,f=-2.9) USER MOD Single : A 62 ASN : amide:sc= -0.0235 X(o=-0.024,f=0) USER MOD Single : A 64 TYR OH : rot 80:sc= 0.808 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.406 K(o=-0.41,f=-3.6!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.081 22.610 2.840 1.00 0.00 N ATOM 2 CA ALA A 1 -5.866 21.934 4.113 1.00 0.00 C ATOM 3 C ALA A 1 -7.145 21.909 4.943 1.00 0.00 C ATOM 4 O ALA A 1 -7.110 22.089 6.160 1.00 0.00 O ATOM 5 CB ALA A 1 -4.745 22.611 4.888 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.166 22.764 2.370 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.688 22.023 2.233 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.543 23.527 3.007 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.578 20.904 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.596 22.095 5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.825 22.572 4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.011 23.651 5.078 1.00 0.00 H new ATOM 11 N ALA A 2 -8.274 21.685 4.278 1.00 0.00 N ATOM 12 CA ALA A 2 -9.566 21.656 4.952 1.00 0.00 C ATOM 13 C ALA A 2 -9.745 20.364 5.741 1.00 0.00 C ATOM 14 O ALA A 2 -10.476 20.325 6.731 1.00 0.00 O ATOM 15 CB ALA A 2 -10.691 21.819 3.940 1.00 0.00 C ATOM 0 H ALA A 2 -8.320 21.521 3.272 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.600 22.488 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.651 21.796 4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.580 22.772 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.649 21.006 3.215 1.00 0.00 H new ATOM 21 N VAL A 3 -9.073 19.306 5.297 1.00 0.00 N ATOM 22 CA VAL A 3 -9.226 17.992 5.907 1.00 0.00 C ATOM 23 C VAL A 3 -7.870 17.380 6.241 1.00 0.00 C ATOM 24 O VAL A 3 -6.882 17.617 5.546 1.00 0.00 O ATOM 25 CB VAL A 3 -10.002 17.028 4.989 1.00 0.00 C ATOM 26 CG1 VAL A 3 -11.432 17.512 4.798 1.00 0.00 C ATOM 27 CG2 VAL A 3 -9.302 16.893 3.645 1.00 0.00 C ATOM 0 H VAL A 3 -8.417 19.334 4.516 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.793 18.136 6.826 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.030 16.047 5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.966 16.820 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.932 17.560 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.423 18.503 4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.864 16.209 3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.245 17.870 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.295 16.504 3.797 1.00 0.00 H new ATOM 37 N ARG A 4 -7.830 16.589 7.309 1.00 0.00 N ATOM 38 CA ARG A 4 -6.612 15.887 7.695 1.00 0.00 C ATOM 39 C ARG A 4 -6.447 14.603 6.889 1.00 0.00 C ATOM 40 O ARG A 4 -6.466 13.502 7.441 1.00 0.00 O ATOM 41 CB ARG A 4 -6.551 15.621 9.192 1.00 0.00 C ATOM 42 CG ARG A 4 -6.464 16.866 10.061 1.00 0.00 C ATOM 43 CD ARG A 4 -6.406 16.593 11.519 1.00 0.00 C ATOM 44 NE ARG A 4 -6.405 17.782 12.356 1.00 0.00 N ATOM 45 CZ ARG A 4 -6.338 17.771 13.702 1.00 0.00 C ATOM 46 NH1 ARG A 4 -6.303 16.639 14.369 1.00 0.00 N ATOM 47 NH2 ARG A 4 -6.331 18.931 14.336 1.00 0.00 N ATOM 0 H ARG A 4 -8.627 16.419 7.922 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.772 16.541 7.462 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.436 15.055 9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.687 14.990 9.399 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.578 17.433 9.774 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.328 17.498 9.856 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.258 15.972 11.794 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.508 16.014 11.732 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.459 18.689 11.892 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.326 15.751 13.868 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.252 16.649 15.388 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.376 19.802 13.807 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.281 18.955 15.354 1.00 0.00 H new ATOM 61 N LYS A 5 -6.282 14.751 5.578 1.00 0.00 N ATOM 62 CA LYS A 5 -6.009 13.613 4.708 1.00 0.00 C ATOM 63 C LYS A 5 -4.543 13.589 4.290 1.00 0.00 C ATOM 64 O LYS A 5 -3.870 14.620 4.289 1.00 0.00 O ATOM 65 CB LYS A 5 -6.911 13.652 3.474 1.00 0.00 C ATOM 66 CG LYS A 5 -8.389 13.433 3.767 1.00 0.00 C ATOM 67 CD LYS A 5 -9.207 13.392 2.485 1.00 0.00 C ATOM 68 CE LYS A 5 -10.665 13.061 2.768 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.447 12.870 1.517 1.00 0.00 N ATOM 0 H LYS A 5 -6.333 15.648 5.095 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.222 12.702 5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.790 14.617 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.576 12.890 2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.519 12.499 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.757 14.233 4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.142 14.355 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.788 12.648 1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.720 12.155 3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.111 13.863 3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.129 12.096 1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.958 13.747 1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.801 12.633 0.737 1.00 0.00 H new ATOM 83 N ILE A 6 -4.053 12.406 3.933 1.00 0.00 N ATOM 84 CA ILE A 6 -2.688 12.260 3.444 1.00 0.00 C ATOM 85 C ILE A 6 -2.656 11.502 2.121 1.00 0.00 C ATOM 86 O ILE A 6 -3.576 10.748 1.803 1.00 0.00 O ATOM 87 CB ILE A 6 -1.797 11.530 4.465 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.337 10.124 4.737 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.706 12.327 5.757 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.401 9.255 5.545 1.00 0.00 C ATOM 0 H ILE A 6 -4.582 11.535 3.973 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.299 13.267 3.292 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.795 11.438 4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.287 10.206 5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.542 9.634 3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.072 11.797 6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.277 13.308 5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.703 12.449 6.180 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.854 8.275 5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.458 9.141 5.010 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.215 9.722 6.512 1.00 0.00 H new ATOM 102 N HIS A 7 -1.590 11.706 1.353 1.00 0.00 N ATOM 103 CA HIS A 7 -1.384 10.961 0.117 1.00 0.00 C ATOM 104 C HIS A 7 -0.083 10.166 0.173 1.00 0.00 C ATOM 105 O HIS A 7 0.931 10.651 0.675 1.00 0.00 O ATOM 106 CB HIS A 7 -1.374 11.905 -1.090 1.00 0.00 C ATOM 107 CG HIS A 7 -2.661 12.642 -1.288 1.00 0.00 C ATOM 108 ND1 HIS A 7 -2.971 13.795 -0.598 1.00 0.00 N ATOM 109 CD2 HIS A 7 -3.718 12.391 -2.097 1.00 0.00 C ATOM 110 CE1 HIS A 7 -4.164 14.222 -0.975 1.00 0.00 C ATOM 111 NE2 HIS A 7 -4.637 13.388 -1.883 1.00 0.00 N ATOM 0 H HIS A 7 -0.856 12.381 1.565 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.213 10.262 0.005 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.567 12.627 -0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -1.153 11.329 -1.989 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -3.819 11.562 -2.782 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.666 15.103 -0.604 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -5.540 13.471 -2.350 1.00 0.00 H new ATOM 118 N VAL A 8 -0.118 8.943 -0.348 1.00 0.00 N ATOM 119 CA VAL A 8 1.061 8.087 -0.371 1.00 0.00 C ATOM 120 C VAL A 8 1.411 7.672 -1.796 1.00 0.00 C ATOM 121 O VAL A 8 0.534 7.541 -2.651 1.00 0.00 O ATOM 122 CB VAL A 8 0.857 6.824 0.488 1.00 0.00 C ATOM 123 CG1 VAL A 8 0.648 7.200 1.947 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.322 6.013 -0.028 1.00 0.00 C ATOM 0 H VAL A 8 -0.951 8.523 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 8 1.883 8.669 0.046 1.00 0.00 H new ATOM 0 HB VAL A 8 1.755 6.210 0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.506 6.296 2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.522 7.739 2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.234 7.835 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.451 5.125 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.227 6.619 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.134 5.713 -1.059 1.00 0.00 H new ATOM 134 N THR A 9 2.700 7.465 -2.046 1.00 0.00 N ATOM 135 CA THR A 9 3.168 7.063 -3.366 1.00 0.00 C ATOM 136 C THR A 9 3.221 5.544 -3.492 1.00 0.00 C ATOM 137 O THR A 9 3.974 4.877 -2.783 1.00 0.00 O ATOM 138 CB THR A 9 4.561 7.642 -3.674 1.00 0.00 C ATOM 139 OG1 THR A 9 4.505 9.074 -3.633 1.00 0.00 O ATOM 140 CG2 THR A 9 5.033 7.196 -5.049 1.00 0.00 C ATOM 0 H THR A 9 3.439 7.569 -1.351 1.00 0.00 H new ATOM 0 HA THR A 9 2.453 7.461 -4.086 1.00 0.00 H new ATOM 0 HB THR A 9 5.263 7.277 -2.925 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.392 9.442 -3.827 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.019 7.615 -5.249 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.088 6.108 -5.079 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.330 7.545 -5.806 1.00 0.00 H new ATOM 148 N VAL A 10 2.416 5.002 -4.401 1.00 0.00 N ATOM 149 CA VAL A 10 2.391 3.564 -4.639 1.00 0.00 C ATOM 150 C VAL A 10 3.184 3.201 -5.889 1.00 0.00 C ATOM 151 O VAL A 10 2.813 3.574 -7.003 1.00 0.00 O ATOM 152 CB VAL A 10 0.951 3.039 -4.784 1.00 0.00 C ATOM 153 CG1 VAL A 10 0.954 1.548 -5.084 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.149 3.326 -3.523 1.00 0.00 C ATOM 0 H VAL A 10 1.773 5.537 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 10 2.851 3.093 -3.770 1.00 0.00 H new ATOM 0 HB VAL A 10 0.479 3.557 -5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.072 1.195 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.492 1.365 -6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.444 1.014 -4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.866 2.948 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.621 2.834 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.117 4.402 -3.349 1.00 0.00 H new ATOM 164 N LYS A 11 4.277 2.469 -5.700 1.00 0.00 N ATOM 165 CA LYS A 11 5.247 2.250 -6.766 1.00 0.00 C ATOM 166 C LYS A 11 5.160 0.821 -7.295 1.00 0.00 C ATOM 167 O LYS A 11 5.384 -0.139 -6.557 1.00 0.00 O ATOM 168 CB LYS A 11 6.663 2.545 -6.273 1.00 0.00 C ATOM 169 CG LYS A 11 6.878 3.974 -5.794 1.00 0.00 C ATOM 170 CD LYS A 11 8.168 4.104 -4.998 1.00 0.00 C ATOM 171 CE LYS A 11 9.389 3.948 -5.893 1.00 0.00 C ATOM 172 NZ LYS A 11 10.647 3.837 -5.106 1.00 0.00 N ATOM 0 H LYS A 11 4.513 2.017 -4.817 1.00 0.00 H new ATOM 0 HA LYS A 11 5.011 2.934 -7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.900 1.862 -5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.366 2.335 -7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.908 4.646 -6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.035 4.283 -5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.197 5.076 -4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.191 3.348 -4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.271 3.061 -6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.457 4.803 -6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.462 4.004 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.643 4.545 -4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.716 2.885 -4.694 1.00 0.00 H new ATOM 186 N PHE A 12 4.832 0.688 -8.577 1.00 0.00 N ATOM 187 CA PHE A 12 5.023 -0.571 -9.287 1.00 0.00 C ATOM 188 C PHE A 12 6.208 -0.482 -10.243 1.00 0.00 C ATOM 189 O PHE A 12 6.612 0.600 -10.673 1.00 0.00 O ATOM 190 CB PHE A 12 3.754 -0.951 -10.052 1.00 0.00 C ATOM 191 CG PHE A 12 2.621 -1.389 -9.167 1.00 0.00 C ATOM 192 CD1 PHE A 12 1.808 -0.454 -8.545 1.00 0.00 C ATOM 193 CD2 PHE A 12 2.367 -2.735 -8.955 1.00 0.00 C ATOM 194 CE1 PHE A 12 0.765 -0.856 -7.731 1.00 0.00 C ATOM 195 CE2 PHE A 12 1.326 -3.139 -8.143 1.00 0.00 C ATOM 196 CZ PHE A 12 0.524 -2.198 -7.531 1.00 0.00 C ATOM 0 H PHE A 12 4.433 1.436 -9.144 1.00 0.00 H new ATOM 0 HA PHE A 12 5.234 -1.346 -8.550 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.429 -0.097 -10.646 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.989 -1.754 -10.750 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.991 0.599 -8.698 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.991 -3.477 -9.431 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.139 -0.118 -7.252 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.140 -4.191 -7.987 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.291 -2.513 -6.896 1.00 0.00 H new ATOM 206 N PRO A 13 6.782 -1.646 -10.584 1.00 0.00 N ATOM 207 CA PRO A 13 7.919 -1.727 -11.506 1.00 0.00 C ATOM 208 C PRO A 13 7.573 -1.211 -12.899 1.00 0.00 C ATOM 209 O PRO A 13 8.451 -0.777 -13.646 1.00 0.00 O ATOM 210 CB PRO A 13 8.273 -3.218 -11.523 1.00 0.00 C ATOM 211 CG PRO A 13 7.028 -3.901 -11.068 1.00 0.00 C ATOM 212 CD PRO A 13 6.411 -2.972 -10.056 1.00 0.00 C ATOM 0 HA PRO A 13 8.752 -1.101 -11.187 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.564 -3.546 -12.521 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.110 -3.435 -10.860 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.350 -4.079 -11.903 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.251 -4.872 -10.626 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.330 -3.098 -9.994 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.809 -3.138 -9.055 1.00 0.00 H new ATOM 220 N SER A 14 6.290 -1.261 -13.242 1.00 0.00 N ATOM 221 CA SER A 14 5.840 -0.887 -14.577 1.00 0.00 C ATOM 222 C SER A 14 5.291 0.536 -14.586 1.00 0.00 C ATOM 223 O SER A 14 5.285 1.207 -15.618 1.00 0.00 O ATOM 224 CB SER A 14 4.790 -1.864 -15.069 1.00 0.00 C ATOM 225 OG SER A 14 3.633 -1.837 -14.280 1.00 0.00 O ATOM 0 H SER A 14 5.543 -1.557 -12.613 1.00 0.00 H new ATOM 0 HA SER A 14 6.696 -0.924 -15.251 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.530 -1.627 -16.101 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.205 -2.872 -15.068 1.00 0.00 H new ATOM 0 HG SER A 14 2.982 -2.479 -14.632 1.00 0.00 H new ATOM 231 N LYS A 15 4.829 0.992 -13.425 1.00 0.00 N ATOM 232 CA LYS A 15 4.170 2.289 -13.319 1.00 0.00 C ATOM 233 C LYS A 15 4.060 2.726 -11.862 1.00 0.00 C ATOM 234 O LYS A 15 4.161 1.904 -10.950 1.00 0.00 O ATOM 235 CB LYS A 15 2.784 2.240 -13.963 1.00 0.00 C ATOM 236 CG LYS A 15 1.805 1.296 -13.278 1.00 0.00 C ATOM 237 CD LYS A 15 0.452 1.302 -13.973 1.00 0.00 C ATOM 238 CE LYS A 15 -0.480 0.254 -13.382 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.769 0.175 -14.121 1.00 0.00 N ATOM 0 H LYS A 15 4.899 0.482 -12.544 1.00 0.00 H new ATOM 0 HA LYS A 15 4.778 3.021 -13.851 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.361 3.245 -13.963 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.891 1.939 -15.005 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.212 0.285 -13.278 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.682 1.590 -12.236 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.002 2.289 -13.880 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.587 1.112 -15.038 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.010 -0.720 -13.402 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.675 0.491 -12.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.288 -0.676 -13.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.340 1.019 -13.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.581 0.126 -15.143 1.00 0.00 H new ATOM 253 N GLN A 16 3.852 4.021 -11.652 1.00 0.00 N ATOM 254 CA GLN A 16 3.669 4.556 -10.308 1.00 0.00 C ATOM 255 C GLN A 16 2.449 5.469 -10.248 1.00 0.00 C ATOM 256 O GLN A 16 2.083 6.101 -11.239 1.00 0.00 O ATOM 257 CB GLN A 16 4.915 5.325 -9.862 1.00 0.00 C ATOM 258 CG GLN A 16 6.185 4.491 -9.833 1.00 0.00 C ATOM 259 CD GLN A 16 7.397 5.297 -9.407 1.00 0.00 C ATOM 260 OE1 GLN A 16 7.302 6.501 -9.152 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.547 4.638 -9.331 1.00 0.00 N ATOM 0 H GLN A 16 3.806 4.719 -12.394 1.00 0.00 H new ATOM 0 HA GLN A 16 3.509 3.716 -9.632 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.065 6.172 -10.532 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.739 5.733 -8.867 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.051 3.653 -9.149 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.362 4.069 -10.822 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.580 3.643 -9.551 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.398 5.127 -9.053 1.00 0.00 H new ATOM 270 N PHE A 17 1.820 5.533 -9.078 1.00 0.00 N ATOM 271 CA PHE A 17 0.677 6.414 -8.871 1.00 0.00 C ATOM 272 C PHE A 17 0.490 6.722 -7.388 1.00 0.00 C ATOM 273 O PHE A 17 1.003 6.010 -6.523 1.00 0.00 O ATOM 274 CB PHE A 17 -0.594 5.785 -9.445 1.00 0.00 C ATOM 275 CG PHE A 17 -0.941 4.456 -8.837 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.751 4.380 -7.714 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.456 3.279 -9.386 1.00 0.00 C ATOM 278 CE1 PHE A 17 -2.071 3.157 -7.155 1.00 0.00 C ATOM 279 CE2 PHE A 17 -0.775 2.054 -8.829 1.00 0.00 C ATOM 280 CZ PHE A 17 -1.583 1.995 -7.712 1.00 0.00 C ATOM 0 H PHE A 17 2.083 4.985 -8.259 1.00 0.00 H new ATOM 0 HA PHE A 17 0.872 7.350 -9.394 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.427 6.471 -9.295 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.473 5.661 -10.521 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.136 5.287 -7.271 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.178 3.319 -10.259 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.704 3.112 -6.281 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.392 1.144 -9.268 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.833 1.039 -7.275 1.00 0.00 H new ATOM 290 N THR A 18 -0.249 7.789 -7.101 1.00 0.00 N ATOM 291 CA THR A 18 -0.482 8.209 -5.725 1.00 0.00 C ATOM 292 C THR A 18 -1.875 7.804 -5.256 1.00 0.00 C ATOM 293 O THR A 18 -2.811 7.720 -6.051 1.00 0.00 O ATOM 294 CB THR A 18 -0.319 9.731 -5.564 1.00 0.00 C ATOM 295 OG1 THR A 18 -1.236 10.408 -6.434 1.00 0.00 O ATOM 296 CG2 THR A 18 1.101 10.155 -5.904 1.00 0.00 C ATOM 0 H THR A 18 -0.696 8.378 -7.803 1.00 0.00 H new ATOM 0 HA THR A 18 0.266 7.707 -5.111 1.00 0.00 H new ATOM 0 HB THR A 18 -0.528 9.995 -4.527 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.132 11.377 -6.329 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.197 11.234 -5.784 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.801 9.652 -5.236 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.325 9.883 -6.936 1.00 0.00 H new ATOM 304 N VAL A 19 -2.006 7.553 -3.956 1.00 0.00 N ATOM 305 CA VAL A 19 -3.290 7.175 -3.377 1.00 0.00 C ATOM 306 C VAL A 19 -3.638 8.064 -2.187 1.00 0.00 C ATOM 307 O VAL A 19 -2.771 8.415 -1.387 1.00 0.00 O ATOM 308 CB VAL A 19 -3.293 5.703 -2.924 1.00 0.00 C ATOM 309 CG1 VAL A 19 -4.619 5.350 -2.267 1.00 0.00 C ATOM 310 CG2 VAL A 19 -3.025 4.781 -4.105 1.00 0.00 C ATOM 0 H VAL A 19 -1.239 7.605 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.040 7.306 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.497 5.568 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.603 4.306 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.775 5.988 -1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.430 5.502 -2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.031 3.745 -3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.800 4.921 -4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.052 5.016 -4.537 1.00 0.00 H new ATOM 320 N GLU A 20 -4.914 8.424 -2.079 1.00 0.00 N ATOM 321 CA GLU A 20 -5.375 9.281 -0.993 1.00 0.00 C ATOM 322 C GLU A 20 -5.941 8.450 0.154 1.00 0.00 C ATOM 323 O GLU A 20 -6.942 7.751 -0.006 1.00 0.00 O ATOM 324 CB GLU A 20 -6.428 10.270 -1.499 1.00 0.00 C ATOM 325 CG GLU A 20 -6.905 11.270 -0.456 1.00 0.00 C ATOM 326 CD GLU A 20 -7.845 12.278 -1.054 1.00 0.00 C ATOM 327 OE1 GLU A 20 -7.435 12.998 -1.933 1.00 0.00 O ATOM 328 OE2 GLU A 20 -9.005 12.253 -0.715 1.00 0.00 O ATOM 0 H GLU A 20 -5.645 8.136 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.518 9.842 -0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.017 10.817 -2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.288 9.710 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.404 10.741 0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.047 11.783 -0.022 1.00 0.00 H new ATOM 335 N VAL A 21 -5.292 8.530 1.312 1.00 0.00 N ATOM 336 CA VAL A 21 -5.677 7.720 2.461 1.00 0.00 C ATOM 337 C VAL A 21 -5.710 8.555 3.735 1.00 0.00 C ATOM 338 O VAL A 21 -5.266 9.705 3.749 1.00 0.00 O ATOM 339 CB VAL A 21 -4.718 6.532 2.661 1.00 0.00 C ATOM 340 CG1 VAL A 21 -4.782 5.590 1.470 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.295 7.026 2.873 1.00 0.00 C ATOM 0 H VAL A 21 -4.497 9.148 1.479 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.676 7.336 2.256 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.029 5.984 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.098 4.756 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.798 5.210 1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.496 6.127 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.631 6.173 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.974 7.597 2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.259 7.663 3.757 1.00 0.00 H new ATOM 351 N ASP A 22 -6.239 7.972 4.806 1.00 0.00 N ATOM 352 CA ASP A 22 -6.200 8.604 6.120 1.00 0.00 C ATOM 353 C ASP A 22 -5.217 7.886 7.039 1.00 0.00 C ATOM 354 O ASP A 22 -5.067 6.665 6.971 1.00 0.00 O ATOM 355 CB ASP A 22 -7.596 8.624 6.750 1.00 0.00 C ATOM 356 CG ASP A 22 -7.737 9.571 7.933 1.00 0.00 C ATOM 357 OD1 ASP A 22 -7.020 9.404 8.892 1.00 0.00 O ATOM 358 OD2 ASP A 22 -8.444 10.543 7.810 1.00 0.00 O ATOM 0 H ASP A 22 -6.700 7.062 4.790 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.861 9.632 5.990 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.322 8.904 5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.849 7.615 7.075 1.00 0.00 H new ATOM 363 N ARG A 23 -4.553 8.650 7.899 1.00 0.00 N ATOM 364 CA ARG A 23 -3.530 8.097 8.779 1.00 0.00 C ATOM 365 C ARG A 23 -4.142 7.113 9.773 1.00 0.00 C ATOM 366 O ARG A 23 -3.462 6.218 10.275 1.00 0.00 O ATOM 367 CB ARG A 23 -2.731 9.182 9.486 1.00 0.00 C ATOM 368 CG ARG A 23 -3.495 9.946 10.555 1.00 0.00 C ATOM 369 CD ARG A 23 -2.729 11.053 11.182 1.00 0.00 C ATOM 370 NE ARG A 23 -3.451 11.774 12.219 1.00 0.00 N ATOM 371 CZ ARG A 23 -2.985 12.865 12.857 1.00 0.00 C ATOM 372 NH1 ARG A 23 -1.788 13.343 12.598 1.00 0.00 N ATOM 373 NH2 ARG A 23 -3.756 13.431 13.769 1.00 0.00 N ATOM 0 H ARG A 23 -4.704 9.653 8.006 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.825 7.550 8.153 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.853 8.726 9.943 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.371 9.891 8.741 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.404 10.354 10.113 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.804 9.248 11.333 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.813 10.647 11.610 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.433 11.758 10.406 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.374 11.429 12.481 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.196 12.887 11.904 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.452 14.170 13.091 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.676 13.040 13.973 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.431 14.258 14.269 1.00 0.00 H new ATOM 387 N THR A 24 -5.429 7.287 10.053 1.00 0.00 N ATOM 388 CA THR A 24 -6.114 6.466 11.045 1.00 0.00 C ATOM 389 C THR A 24 -6.770 5.253 10.396 1.00 0.00 C ATOM 390 O THR A 24 -7.285 4.373 11.084 1.00 0.00 O ATOM 391 CB THR A 24 -7.184 7.272 11.805 1.00 0.00 C ATOM 392 OG1 THR A 24 -8.189 7.721 10.885 1.00 0.00 O ATOM 393 CG2 THR A 24 -6.558 8.475 12.492 1.00 0.00 C ATOM 0 H THR A 24 -6.019 7.989 9.607 1.00 0.00 H new ATOM 0 HA THR A 24 -5.356 6.130 11.753 1.00 0.00 H new ATOM 0 HB THR A 24 -7.634 6.629 12.561 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.802 8.384 10.276 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.329 9.032 13.024 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.801 8.137 13.200 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.094 9.120 11.746 1.00 0.00 H new ATOM 401 N GLU A 25 -6.746 5.213 9.067 1.00 0.00 N ATOM 402 CA GLU A 25 -7.276 4.073 8.328 1.00 0.00 C ATOM 403 C GLU A 25 -6.281 2.916 8.326 1.00 0.00 C ATOM 404 O GLU A 25 -5.076 3.118 8.481 1.00 0.00 O ATOM 405 CB GLU A 25 -7.622 4.477 6.894 1.00 0.00 C ATOM 406 CG GLU A 25 -8.910 5.276 6.758 1.00 0.00 C ATOM 407 CD GLU A 25 -10.118 4.394 6.916 1.00 0.00 C ATOM 408 OE1 GLU A 25 -9.961 3.197 6.911 1.00 0.00 O ATOM 409 OE2 GLU A 25 -11.182 4.916 7.153 1.00 0.00 O ATOM 0 H GLU A 25 -6.366 5.956 8.481 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.187 3.741 8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.800 5.065 6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.702 3.576 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.932 6.065 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.937 5.763 5.783 1.00 0.00 H new ATOM 416 N THR A 26 -6.794 1.703 8.146 1.00 0.00 N ATOM 417 CA THR A 26 -5.959 0.509 8.177 1.00 0.00 C ATOM 418 C THR A 26 -5.323 0.248 6.815 1.00 0.00 C ATOM 419 O THR A 26 -5.740 0.816 5.806 1.00 0.00 O ATOM 420 CB THR A 26 -6.764 -0.733 8.604 1.00 0.00 C ATOM 421 OG1 THR A 26 -7.834 -0.954 7.676 1.00 0.00 O ATOM 422 CG2 THR A 26 -7.339 -0.541 9.999 1.00 0.00 C ATOM 0 H THR A 26 -7.783 1.522 7.977 1.00 0.00 H new ATOM 0 HA THR A 26 -5.175 0.691 8.912 1.00 0.00 H new ATOM 0 HB THR A 26 -6.097 -1.595 8.612 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.410 -1.675 8.006 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.905 -1.428 10.285 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.527 -0.384 10.709 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.998 0.327 10.005 1.00 0.00 H new ATOM 430 N VAL A 27 -4.313 -0.616 6.794 1.00 0.00 N ATOM 431 CA VAL A 27 -3.640 -0.976 5.551 1.00 0.00 C ATOM 432 C VAL A 27 -4.619 -1.591 4.555 1.00 0.00 C ATOM 433 O VAL A 27 -4.448 -1.463 3.343 1.00 0.00 O ATOM 434 CB VAL A 27 -2.485 -1.964 5.800 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.975 -2.529 4.482 1.00 0.00 C ATOM 436 CG2 VAL A 27 -1.356 -1.284 6.558 1.00 0.00 C ATOM 0 H VAL A 27 -3.943 -1.080 7.624 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.232 -0.055 5.134 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.861 -2.787 6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.159 -3.225 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.785 -3.052 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.615 -1.715 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.549 -1.997 6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.982 -0.442 5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.727 -0.925 7.518 1.00 0.00 H new ATOM 446 N SER A 28 -5.645 -2.255 5.076 1.00 0.00 N ATOM 447 CA SER A 28 -6.642 -2.905 4.232 1.00 0.00 C ATOM 448 C SER A 28 -7.338 -1.888 3.334 1.00 0.00 C ATOM 449 O SER A 28 -7.769 -2.211 2.226 1.00 0.00 O ATOM 450 CB SER A 28 -7.655 -3.638 5.088 1.00 0.00 C ATOM 451 OG SER A 28 -8.494 -2.756 5.783 1.00 0.00 O ATOM 0 H SER A 28 -5.808 -2.357 6.078 1.00 0.00 H new ATOM 0 HA SER A 28 -6.134 -3.628 3.594 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.258 -4.290 4.457 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.133 -4.278 5.800 1.00 0.00 H new ATOM 0 HG SER A 28 -7.952 -2.159 6.340 1.00 0.00 H new ATOM 457 N SER A 29 -7.444 -0.654 3.818 1.00 0.00 N ATOM 458 CA SER A 29 -8.014 0.432 3.028 1.00 0.00 C ATOM 459 C SER A 29 -7.103 0.786 1.856 1.00 0.00 C ATOM 460 O SER A 29 -7.572 1.053 0.748 1.00 0.00 O ATOM 461 CB SER A 29 -8.251 1.647 3.902 1.00 0.00 C ATOM 462 OG SER A 29 -9.232 1.413 4.875 1.00 0.00 O ATOM 0 H SER A 29 -7.143 -0.381 4.754 1.00 0.00 H new ATOM 0 HA SER A 29 -8.970 0.099 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.318 1.930 4.389 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.553 2.488 3.278 1.00 0.00 H new ATOM 0 HG SER A 29 -9.305 2.196 5.460 1.00 0.00 H new ATOM 468 N LEU A 30 -5.799 0.788 2.108 1.00 0.00 N ATOM 469 CA LEU A 30 -4.815 0.963 1.046 1.00 0.00 C ATOM 470 C LEU A 30 -4.859 -0.204 0.064 1.00 0.00 C ATOM 471 O LEU A 30 -4.765 -0.015 -1.148 1.00 0.00 O ATOM 472 CB LEU A 30 -3.409 1.110 1.642 1.00 0.00 C ATOM 473 CG LEU A 30 -2.278 1.265 0.618 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.476 2.542 -0.188 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.938 1.283 1.338 1.00 0.00 C ATOM 0 H LEU A 30 -5.398 0.670 3.039 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.061 1.874 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.401 1.977 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.201 0.237 2.260 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.293 0.421 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.668 2.644 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.430 2.497 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.471 3.401 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.135 1.393 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.911 2.119 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.806 0.349 1.885 1.00 0.00 H new ATOM 487 N LYS A 31 -5.004 -1.413 0.598 1.00 0.00 N ATOM 488 CA LYS A 31 -5.118 -2.606 -0.232 1.00 0.00 C ATOM 489 C LYS A 31 -6.307 -2.498 -1.182 1.00 0.00 C ATOM 490 O LYS A 31 -6.198 -2.815 -2.367 1.00 0.00 O ATOM 491 CB LYS A 31 -5.251 -3.857 0.639 1.00 0.00 C ATOM 492 CG LYS A 31 -5.506 -5.142 -0.138 1.00 0.00 C ATOM 493 CD LYS A 31 -5.669 -6.330 0.797 1.00 0.00 C ATOM 494 CE LYS A 31 -6.922 -6.196 1.650 1.00 0.00 C ATOM 495 NZ LYS A 31 -7.147 -7.396 2.502 1.00 0.00 N ATOM 0 H LYS A 31 -5.045 -1.592 1.601 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.209 -2.689 -0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.339 -3.976 1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.066 -3.707 1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.403 -5.030 -0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.678 -5.326 -0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.720 -7.250 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.794 -6.410 1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.837 -5.313 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.786 -6.043 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.028 -7.278 3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.220 -8.241 1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.350 -7.508 3.161 1.00 0.00 H new ATOM 509 N ASP A 32 -7.440 -2.047 -0.654 1.00 0.00 N ATOM 510 CA ASP A 32 -8.623 -1.808 -1.473 1.00 0.00 C ATOM 511 C ASP A 32 -8.316 -0.824 -2.597 1.00 0.00 C ATOM 512 O ASP A 32 -8.701 -1.037 -3.747 1.00 0.00 O ATOM 513 CB ASP A 32 -9.776 -1.283 -0.614 1.00 0.00 C ATOM 514 CG ASP A 32 -10.415 -2.331 0.287 1.00 0.00 C ATOM 515 OD1 ASP A 32 -10.148 -3.494 0.095 1.00 0.00 O ATOM 516 OD2 ASP A 32 -11.038 -1.956 1.251 1.00 0.00 O ATOM 0 H ASP A 32 -7.564 -1.840 0.337 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.921 -2.758 -1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.409 -0.464 0.005 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.542 -0.869 -1.269 1.00 0.00 H new ATOM 521 N LYS A 33 -7.620 0.256 -2.258 1.00 0.00 N ATOM 522 CA LYS A 33 -7.275 1.283 -3.233 1.00 0.00 C ATOM 523 C LYS A 33 -6.363 0.718 -4.318 1.00 0.00 C ATOM 524 O LYS A 33 -6.503 1.052 -5.496 1.00 0.00 O ATOM 525 CB LYS A 33 -6.604 2.473 -2.546 1.00 0.00 C ATOM 526 CG LYS A 33 -7.535 3.300 -1.670 1.00 0.00 C ATOM 527 CD LYS A 33 -8.486 4.139 -2.510 1.00 0.00 C ATOM 528 CE LYS A 33 -9.333 5.055 -1.640 1.00 0.00 C ATOM 529 NZ LYS A 33 -10.265 5.886 -2.450 1.00 0.00 N ATOM 0 H LYS A 33 -7.283 0.443 -1.313 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.197 1.625 -3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.780 2.106 -1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.172 3.121 -3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.108 2.639 -1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.946 3.951 -1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.915 4.736 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.135 3.484 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.904 4.456 -0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.682 5.705 -1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.824 6.496 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.719 6.477 -3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.904 5.267 -2.988 1.00 0.00 H new ATOM 543 N ILE A 34 -5.431 -0.139 -3.915 1.00 0.00 N ATOM 544 CA ILE A 34 -4.536 -0.794 -4.860 1.00 0.00 C ATOM 545 C ILE A 34 -5.301 -1.741 -5.778 1.00 0.00 C ATOM 546 O ILE A 34 -5.049 -1.792 -6.984 1.00 0.00 O ATOM 547 CB ILE A 34 -3.428 -1.581 -4.135 1.00 0.00 C ATOM 548 CG1 ILE A 34 -2.474 -0.621 -3.419 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.668 -2.457 -5.119 1.00 0.00 C ATOM 550 CD1 ILE A 34 -1.538 -1.303 -2.447 1.00 0.00 C ATOM 0 H ILE A 34 -5.276 -0.396 -2.940 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.078 -0.006 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.891 -2.226 -3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.884 -0.087 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.060 0.125 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.889 -3.006 -4.591 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.356 -3.162 -5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.214 -1.831 -5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.894 -0.559 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.119 -1.813 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.925 -2.029 -2.981 1.00 0.00 H new ATOM 562 N HIS A 35 -6.239 -2.486 -5.203 1.00 0.00 N ATOM 563 CA HIS A 35 -7.007 -3.466 -5.961 1.00 0.00 C ATOM 564 C HIS A 35 -7.909 -2.779 -6.982 1.00 0.00 C ATOM 565 O HIS A 35 -8.216 -3.342 -8.033 1.00 0.00 O ATOM 566 CB HIS A 35 -7.847 -4.340 -5.023 1.00 0.00 C ATOM 567 CG HIS A 35 -7.044 -5.349 -4.261 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.614 -6.233 -3.369 1.00 0.00 N ATOM 569 CD2 HIS A 35 -5.717 -5.614 -4.259 1.00 0.00 C ATOM 570 CE1 HIS A 35 -6.670 -6.999 -2.850 1.00 0.00 C ATOM 571 NE2 HIS A 35 -5.510 -6.643 -3.373 1.00 0.00 N ATOM 0 H HIS A 35 -6.485 -2.430 -4.215 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.301 -4.103 -6.494 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.373 -3.698 -4.316 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.606 -4.859 -5.608 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.962 -5.111 -4.845 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.821 -7.783 -2.122 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.607 -7.064 -3.154 1.00 0.00 H new ATOM 578 N ILE A 36 -8.329 -1.558 -6.667 1.00 0.00 N ATOM 579 CA ILE A 36 -9.120 -0.759 -7.593 1.00 0.00 C ATOM 580 C ILE A 36 -8.342 -0.474 -8.874 1.00 0.00 C ATOM 581 O ILE A 36 -8.901 -0.495 -9.971 1.00 0.00 O ATOM 582 CB ILE A 36 -9.556 0.574 -6.960 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.609 0.331 -5.876 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.092 1.519 -8.024 1.00 0.00 C ATOM 585 CD1 ILE A 36 -10.890 1.542 -5.015 1.00 0.00 C ATOM 0 H ILE A 36 -8.134 -1.101 -5.776 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.009 -1.342 -7.833 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.685 1.038 -6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.537 0.010 -6.350 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.277 -0.488 -5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.396 2.457 -7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.314 1.715 -8.762 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.951 1.063 -8.516 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.646 1.292 -4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.974 1.851 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.253 2.357 -5.641 1.00 0.00 H new ATOM 597 N VAL A 37 -7.048 -0.210 -8.729 1.00 0.00 N ATOM 598 CA VAL A 37 -6.186 0.052 -9.875 1.00 0.00 C ATOM 599 C VAL A 37 -5.783 -1.246 -10.566 1.00 0.00 C ATOM 600 O VAL A 37 -5.815 -1.343 -11.792 1.00 0.00 O ATOM 601 CB VAL A 37 -4.916 0.821 -9.464 1.00 0.00 C ATOM 602 CG1 VAL A 37 -3.983 0.983 -10.654 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.280 2.179 -8.884 1.00 0.00 C ATOM 0 H VAL A 37 -6.573 -0.172 -7.827 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.761 0.667 -10.568 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.398 0.246 -8.696 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.091 1.528 -10.345 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.696 0.000 -11.028 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.492 1.537 -11.443 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.371 2.708 -8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.820 2.761 -9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.911 2.042 -8.006 1.00 0.00 H new ATOM 613 N GLU A 38 -5.403 -2.240 -9.770 1.00 0.00 N ATOM 614 CA GLU A 38 -4.986 -3.531 -10.306 1.00 0.00 C ATOM 615 C GLU A 38 -5.781 -4.667 -9.668 1.00 0.00 C ATOM 616 O GLU A 38 -5.618 -4.966 -8.486 1.00 0.00 O ATOM 617 CB GLU A 38 -3.487 -3.745 -10.085 1.00 0.00 C ATOM 618 CG GLU A 38 -2.593 -2.847 -10.927 1.00 0.00 C ATOM 619 CD GLU A 38 -2.752 -3.136 -12.394 1.00 0.00 C ATOM 620 OE1 GLU A 38 -2.751 -4.289 -12.755 1.00 0.00 O ATOM 621 OE2 GLU A 38 -2.988 -2.215 -13.138 1.00 0.00 O ATOM 0 H GLU A 38 -5.375 -2.177 -8.752 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.185 -3.532 -11.378 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.260 -3.579 -9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.245 -4.785 -10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.836 -1.803 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.552 -2.992 -10.637 1.00 0.00 H new ATOM 628 N ASN A 39 -6.642 -5.297 -10.461 1.00 0.00 N ATOM 629 CA ASN A 39 -7.499 -6.366 -9.964 1.00 0.00 C ATOM 630 C ASN A 39 -6.711 -7.660 -9.789 1.00 0.00 C ATOM 631 O ASN A 39 -6.901 -8.621 -10.536 1.00 0.00 O ATOM 632 CB ASN A 39 -8.692 -6.594 -10.875 1.00 0.00 C ATOM 633 CG ASN A 39 -9.708 -7.549 -10.314 1.00 0.00 C ATOM 634 OD1 ASN A 39 -9.765 -7.786 -9.102 1.00 0.00 O ATOM 635 ND2 ASN A 39 -10.457 -8.159 -11.198 1.00 0.00 N ATOM 0 H ASN A 39 -6.764 -5.085 -11.451 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.875 -6.053 -8.990 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.176 -5.637 -11.072 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.339 -6.975 -11.833 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.127 -8.867 -10.897 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.371 -7.926 -12.187 1.00 0.00 H new ATOM 642 N THR A 40 -5.825 -7.680 -8.798 1.00 0.00 N ATOM 643 CA THR A 40 -5.032 -8.865 -8.503 1.00 0.00 C ATOM 644 C THR A 40 -5.061 -9.191 -7.015 1.00 0.00 C ATOM 645 O THR A 40 -4.902 -8.318 -6.161 1.00 0.00 O ATOM 646 CB THR A 40 -3.570 -8.693 -8.953 1.00 0.00 C ATOM 647 OG1 THR A 40 -3.524 -8.494 -10.373 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.752 -9.924 -8.592 1.00 0.00 C ATOM 0 H THR A 40 -5.639 -6.886 -8.185 1.00 0.00 H new ATOM 0 HA THR A 40 -5.479 -9.688 -9.060 1.00 0.00 H new ATOM 0 HB THR A 40 -3.149 -7.826 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.418 -8.629 -10.751 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.721 -9.784 -8.918 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.774 -10.072 -7.512 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.174 -10.799 -9.087 1.00 0.00 H new ATOM 656 N PRO A 41 -5.270 -10.477 -6.694 1.00 0.00 N ATOM 657 CA PRO A 41 -5.385 -10.936 -5.307 1.00 0.00 C ATOM 658 C PRO A 41 -4.192 -10.517 -4.455 1.00 0.00 C ATOM 659 O PRO A 41 -3.047 -10.574 -4.903 1.00 0.00 O ATOM 660 CB PRO A 41 -5.487 -12.460 -5.431 1.00 0.00 C ATOM 661 CG PRO A 41 -6.114 -12.682 -6.766 1.00 0.00 C ATOM 662 CD PRO A 41 -5.551 -11.606 -7.655 1.00 0.00 C ATOM 0 HA PRO A 41 -6.244 -10.496 -4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.506 -12.930 -5.370 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.094 -12.884 -4.631 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.877 -13.674 -7.151 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.200 -12.614 -6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.645 -11.937 -8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.260 -11.310 -8.428 1.00 0.00 H new ATOM 670 N ILE A 42 -4.468 -10.097 -3.225 1.00 0.00 N ATOM 671 CA ILE A 42 -3.415 -9.686 -2.304 1.00 0.00 C ATOM 672 C ILE A 42 -2.545 -10.872 -1.900 1.00 0.00 C ATOM 673 O ILE A 42 -1.392 -10.703 -1.504 1.00 0.00 O ATOM 674 CB ILE A 42 -3.996 -9.031 -1.037 1.00 0.00 C ATOM 675 CG1 ILE A 42 -2.897 -8.298 -0.264 1.00 0.00 C ATOM 676 CG2 ILE A 42 -4.666 -10.075 -0.158 1.00 0.00 C ATOM 677 CD1 ILE A 42 -2.242 -7.181 -1.043 1.00 0.00 C ATOM 0 H ILE A 42 -5.412 -10.032 -2.843 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.804 -8.953 -2.831 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.749 -8.302 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.322 -7.888 0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.134 -9.017 0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.071 -9.595 0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.474 -10.553 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.934 -10.827 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.475 -6.710 -0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.786 -7.586 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.993 -6.440 -1.317 1.00 0.00 H new ATOM 689 N LYS A 43 -3.105 -12.071 -2.004 1.00 0.00 N ATOM 690 CA LYS A 43 -2.376 -13.287 -1.665 1.00 0.00 C ATOM 691 C LYS A 43 -1.184 -13.486 -2.596 1.00 0.00 C ATOM 692 O LYS A 43 -0.221 -14.169 -2.250 1.00 0.00 O ATOM 693 CB LYS A 43 -3.303 -14.503 -1.726 1.00 0.00 C ATOM 694 CG LYS A 43 -4.371 -14.536 -0.642 1.00 0.00 C ATOM 695 CD LYS A 43 -5.264 -15.760 -0.780 1.00 0.00 C ATOM 696 CE LYS A 43 -6.314 -15.807 0.319 1.00 0.00 C ATOM 697 NZ LYS A 43 -7.211 -16.987 0.181 1.00 0.00 N ATOM 0 H LYS A 43 -4.062 -12.227 -2.320 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.002 -13.182 -0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.791 -14.524 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.700 -15.408 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.896 -14.539 0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.978 -13.632 -0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.754 -15.747 -1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.655 -16.663 -0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.821 -15.838 1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.909 -14.894 0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.912 -16.982 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.701 -16.945 -0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.647 -17.859 0.233 1.00 0.00 H new ATOM 711 N ARG A 44 -1.256 -12.881 -3.777 1.00 0.00 N ATOM 712 CA ARG A 44 -0.163 -12.952 -4.740 1.00 0.00 C ATOM 713 C ARG A 44 0.672 -11.675 -4.711 1.00 0.00 C ATOM 714 O ARG A 44 1.895 -11.719 -4.846 1.00 0.00 O ATOM 715 CB ARG A 44 -0.652 -13.269 -6.144 1.00 0.00 C ATOM 716 CG ARG A 44 -1.403 -14.585 -6.278 1.00 0.00 C ATOM 717 CD ARG A 44 -0.574 -15.791 -6.021 1.00 0.00 C ATOM 718 NE ARG A 44 -1.304 -17.048 -6.077 1.00 0.00 N ATOM 719 CZ ARG A 44 -0.767 -18.256 -5.824 1.00 0.00 C ATOM 720 NH1 ARG A 44 0.509 -18.383 -5.532 1.00 0.00 N ATOM 721 NH2 ARG A 44 -1.553 -19.316 -5.898 1.00 0.00 N ATOM 0 H ARG A 44 -2.059 -12.336 -4.090 1.00 0.00 H new ATOM 0 HA ARG A 44 0.479 -13.781 -4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.302 -12.461 -6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.206 -13.287 -6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.244 -14.582 -5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.819 -14.652 -7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.235 -15.822 -6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.113 -15.697 -5.038 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.293 -17.011 -6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.108 -17.558 -5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.899 -19.306 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.537 -19.205 -6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.175 -20.245 -5.712 1.00 0.00 H new ATOM 735 N MET A 45 0.003 -10.541 -4.533 1.00 0.00 N ATOM 736 CA MET A 45 0.678 -9.248 -4.527 1.00 0.00 C ATOM 737 C MET A 45 1.441 -9.040 -3.222 1.00 0.00 C ATOM 738 O MET A 45 0.998 -9.474 -2.160 1.00 0.00 O ATOM 739 CB MET A 45 -0.332 -8.122 -4.738 1.00 0.00 C ATOM 740 CG MET A 45 -0.994 -8.117 -6.109 1.00 0.00 C ATOM 741 SD MET A 45 -2.176 -6.769 -6.306 1.00 0.00 S ATOM 742 CE MET A 45 -1.070 -5.380 -6.531 1.00 0.00 C ATOM 0 H MET A 45 -1.006 -10.491 -4.391 1.00 0.00 H new ATOM 0 HA MET A 45 1.396 -9.233 -5.347 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.106 -8.198 -3.975 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.171 -7.167 -4.588 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.226 -8.037 -6.878 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.504 -9.068 -6.265 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.631 -4.526 -6.909 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.613 -5.120 -5.576 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.291 -5.647 -7.245 1.00 0.00 H new ATOM 752 N GLN A 46 2.587 -8.373 -3.312 1.00 0.00 N ATOM 753 CA GLN A 46 3.369 -8.035 -2.129 1.00 0.00 C ATOM 754 C GLN A 46 3.295 -6.540 -1.838 1.00 0.00 C ATOM 755 O GLN A 46 3.493 -5.713 -2.729 1.00 0.00 O ATOM 756 CB GLN A 46 4.829 -8.457 -2.310 1.00 0.00 C ATOM 757 CG GLN A 46 5.692 -8.256 -1.076 1.00 0.00 C ATOM 758 CD GLN A 46 7.119 -8.725 -1.285 1.00 0.00 C ATOM 759 OE1 GLN A 46 7.526 -9.040 -2.408 1.00 0.00 O ATOM 760 NE2 GLN A 46 7.889 -8.779 -0.205 1.00 0.00 N ATOM 0 H GLN A 46 2.994 -8.056 -4.192 1.00 0.00 H new ATOM 0 HA GLN A 46 2.946 -8.577 -1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.859 -9.509 -2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.259 -7.892 -3.137 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.695 -7.200 -0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.254 -8.797 -0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.512 -8.510 0.704 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.857 -9.090 -0.284 1.00 0.00 H new ATOM 769 N LEU A 47 3.010 -6.199 -0.585 1.00 0.00 N ATOM 770 CA LEU A 47 2.876 -4.804 -0.184 1.00 0.00 C ATOM 771 C LEU A 47 3.974 -4.410 0.798 1.00 0.00 C ATOM 772 O LEU A 47 3.947 -4.801 1.965 1.00 0.00 O ATOM 773 CB LEU A 47 1.492 -4.560 0.434 1.00 0.00 C ATOM 774 CG LEU A 47 1.277 -3.160 1.022 1.00 0.00 C ATOM 775 CD1 LEU A 47 1.428 -2.107 -0.067 1.00 0.00 C ATOM 776 CD2 LEU A 47 -0.102 -3.082 1.660 1.00 0.00 C ATOM 0 H LEU A 47 2.868 -6.870 0.170 1.00 0.00 H new ATOM 0 HA LEU A 47 2.979 -4.182 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.735 -4.736 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.328 -5.296 1.221 1.00 0.00 H new ATOM 0 HG LEU A 47 2.029 -2.969 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.273 -1.116 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.429 -2.166 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.689 -2.284 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.254 -2.087 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.864 -3.279 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.178 -3.824 2.455 1.00 0.00 H new ATOM 788 N TYR A 48 4.939 -3.633 0.318 1.00 0.00 N ATOM 789 CA TYR A 48 6.085 -3.247 1.132 1.00 0.00 C ATOM 790 C TYR A 48 6.097 -1.740 1.375 1.00 0.00 C ATOM 791 O TYR A 48 5.843 -0.951 0.465 1.00 0.00 O ATOM 792 CB TYR A 48 7.390 -3.684 0.463 1.00 0.00 C ATOM 793 CG TYR A 48 8.634 -3.178 1.158 1.00 0.00 C ATOM 794 CD1 TYR A 48 9.116 -3.799 2.302 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.327 -2.081 0.668 1.00 0.00 C ATOM 796 CE1 TYR A 48 10.251 -3.341 2.941 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.464 -1.613 1.298 1.00 0.00 C ATOM 798 CZ TYR A 48 10.924 -2.246 2.434 1.00 0.00 C ATOM 799 OH TYR A 48 12.056 -1.786 3.066 1.00 0.00 O ATOM 0 H TYR A 48 4.950 -3.258 -0.631 1.00 0.00 H new ATOM 0 HA TYR A 48 5.999 -3.750 2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.422 -4.773 0.429 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.394 -3.332 -0.569 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.593 -4.656 2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.971 -1.584 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.610 -3.835 3.831 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.990 -0.756 0.903 1.00 0.00 H new ATOM 0 HH TYR A 48 12.540 -1.177 2.469 1.00 0.00 H new ATOM 809 N TYR A 49 6.396 -1.349 2.609 1.00 0.00 N ATOM 810 CA TYR A 49 6.566 0.060 2.943 1.00 0.00 C ATOM 811 C TYR A 49 8.009 0.355 3.339 1.00 0.00 C ATOM 812 O TYR A 49 8.645 -0.428 4.044 1.00 0.00 O ATOM 813 CB TYR A 49 5.617 0.462 4.074 1.00 0.00 C ATOM 814 CG TYR A 49 5.937 1.803 4.696 1.00 0.00 C ATOM 815 CD1 TYR A 49 5.864 2.970 3.950 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.310 1.897 6.029 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.157 4.197 4.514 1.00 0.00 C ATOM 818 CE2 TYR A 49 6.603 3.119 6.603 1.00 0.00 C ATOM 819 CZ TYR A 49 6.526 4.267 5.842 1.00 0.00 C ATOM 820 OH TYR A 49 6.817 5.486 6.409 1.00 0.00 O ATOM 0 H TYR A 49 6.526 -1.987 3.394 1.00 0.00 H new ATOM 0 HA TYR A 49 6.325 0.647 2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.598 0.485 3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.647 -0.303 4.849 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.573 2.919 2.911 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.372 1.000 6.628 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.098 5.096 3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.891 3.175 7.642 1.00 0.00 H new ATOM 0 HH TYR A 49 6.562 5.476 7.355 1.00 0.00 H new ATOM 830 N SER A 50 8.520 1.493 2.880 1.00 0.00 N ATOM 831 CA SER A 50 9.855 1.940 3.260 1.00 0.00 C ATOM 832 C SER A 50 10.232 1.409 4.641 1.00 0.00 C ATOM 833 O SER A 50 9.775 1.923 5.661 1.00 0.00 O ATOM 834 CB SER A 50 9.928 3.454 3.236 1.00 0.00 C ATOM 835 OG SER A 50 11.196 3.927 3.601 1.00 0.00 O ATOM 0 H SER A 50 8.030 2.122 2.244 1.00 0.00 H new ATOM 0 HA SER A 50 10.569 1.544 2.538 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.682 3.812 2.237 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.180 3.863 3.915 1.00 0.00 H new ATOM 0 HG SER A 50 11.201 4.907 3.571 1.00 0.00 H new ATOM 841 N GLY A 51 11.070 0.378 4.662 1.00 0.00 N ATOM 842 CA GLY A 51 11.499 -0.204 5.921 1.00 0.00 C ATOM 843 C GLY A 51 10.701 -1.440 6.291 1.00 0.00 C ATOM 844 O GLY A 51 11.203 -2.560 6.197 1.00 0.00 O ATOM 0 H GLY A 51 11.460 -0.065 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.556 -0.464 5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.401 0.538 6.713 1.00 0.00 H new ATOM 848 N ILE A 52 9.459 -1.235 6.711 1.00 0.00 N ATOM 849 CA ILE A 52 8.626 -2.330 7.196 1.00 0.00 C ATOM 850 C ILE A 52 7.650 -2.795 6.122 1.00 0.00 C ATOM 851 O ILE A 52 6.963 -1.984 5.501 1.00 0.00 O ATOM 852 CB ILE A 52 7.838 -1.927 8.455 1.00 0.00 C ATOM 853 CG1 ILE A 52 8.797 -1.547 9.586 1.00 0.00 C ATOM 854 CG2 ILE A 52 6.916 -3.055 8.890 1.00 0.00 C ATOM 855 CD1 ILE A 52 8.117 -0.907 10.775 1.00 0.00 C ATOM 0 H ILE A 52 9.006 -0.321 6.726 1.00 0.00 H new ATOM 0 HA ILE A 52 9.299 -3.149 7.450 1.00 0.00 H new ATOM 0 HB ILE A 52 7.226 -1.057 8.217 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.324 -2.441 9.919 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.549 -0.861 9.197 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.367 -2.753 9.782 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.212 -3.279 8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.507 -3.943 9.112 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.861 -0.666 11.534 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.614 0.006 10.458 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.385 -1.599 11.191 1.00 0.00 H new ATOM 867 N GLU A 53 7.592 -4.105 5.909 1.00 0.00 N ATOM 868 CA GLU A 53 6.590 -4.693 5.027 1.00 0.00 C ATOM 869 C GLU A 53 5.218 -4.707 5.696 1.00 0.00 C ATOM 870 O GLU A 53 5.092 -5.053 6.871 1.00 0.00 O ATOM 871 CB GLU A 53 6.995 -6.113 4.623 1.00 0.00 C ATOM 872 CG GLU A 53 5.992 -6.821 3.725 1.00 0.00 C ATOM 873 CD GLU A 53 6.452 -8.212 3.384 1.00 0.00 C ATOM 874 OE1 GLU A 53 6.738 -8.961 4.287 1.00 0.00 O ATOM 875 OE2 GLU A 53 6.410 -8.562 2.227 1.00 0.00 O ATOM 0 H GLU A 53 8.227 -4.780 6.335 1.00 0.00 H new ATOM 0 HA GLU A 53 6.529 -4.078 4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.957 -6.072 4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.139 -6.707 5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.024 -6.868 4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.852 -6.247 2.809 1.00 0.00 H new ATOM 882 N LEU A 54 4.194 -4.330 4.939 1.00 0.00 N ATOM 883 CA LEU A 54 2.872 -4.094 5.506 1.00 0.00 C ATOM 884 C LEU A 54 2.070 -5.389 5.578 1.00 0.00 C ATOM 885 O LEU A 54 1.097 -5.571 4.845 1.00 0.00 O ATOM 886 CB LEU A 54 2.118 -3.043 4.681 1.00 0.00 C ATOM 887 CG LEU A 54 2.821 -1.686 4.554 1.00 0.00 C ATOM 888 CD1 LEU A 54 1.957 -0.724 3.751 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.103 -1.127 5.941 1.00 0.00 C ATOM 0 H LEU A 54 4.254 -4.181 3.932 1.00 0.00 H new ATOM 0 HA LEU A 54 2.999 -3.718 6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.949 -3.442 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.138 -2.886 5.131 1.00 0.00 H new ATOM 0 HG LEU A 54 3.767 -1.815 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.465 0.237 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.786 -1.133 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.001 -0.586 4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.603 -0.163 5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.164 -1.000 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.745 -1.818 6.488 1.00 0.00 H new ATOM 901 N ALA A 55 2.484 -6.288 6.465 1.00 0.00 N ATOM 902 CA ALA A 55 1.896 -7.619 6.538 1.00 0.00 C ATOM 903 C ALA A 55 0.480 -7.563 7.101 1.00 0.00 C ATOM 904 O ALA A 55 -0.391 -8.332 6.694 1.00 0.00 O ATOM 905 CB ALA A 55 2.766 -8.536 7.385 1.00 0.00 C ATOM 0 H ALA A 55 3.226 -6.118 7.144 1.00 0.00 H new ATOM 0 HA ALA A 55 1.842 -8.021 5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.314 -9.527 7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.758 -8.610 6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.850 -8.129 8.393 1.00 0.00 H new ATOM 911 N ASP A 56 0.256 -6.647 8.038 1.00 0.00 N ATOM 912 CA ASP A 56 -0.983 -6.628 8.807 1.00 0.00 C ATOM 913 C ASP A 56 -1.994 -5.669 8.185 1.00 0.00 C ATOM 914 O ASP A 56 -1.817 -4.452 8.227 1.00 0.00 O ATOM 915 CB ASP A 56 -0.709 -6.235 10.260 1.00 0.00 C ATOM 916 CG ASP A 56 -1.931 -6.285 11.168 1.00 0.00 C ATOM 917 OD1 ASP A 56 -3.010 -6.493 10.666 1.00 0.00 O ATOM 918 OD2 ASP A 56 -1.759 -6.271 12.363 1.00 0.00 O ATOM 0 H ASP A 56 0.916 -5.909 8.283 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.405 -7.633 8.790 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.056 -6.898 10.664 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.299 -5.225 10.279 1.00 0.00 H new ATOM 923 N ASP A 57 -3.051 -6.227 7.605 1.00 0.00 N ATOM 924 CA ASP A 57 -4.055 -5.426 6.914 1.00 0.00 C ATOM 925 C ASP A 57 -4.823 -4.551 7.899 1.00 0.00 C ATOM 926 O ASP A 57 -5.286 -3.465 7.548 1.00 0.00 O ATOM 927 CB ASP A 57 -5.023 -6.326 6.142 1.00 0.00 C ATOM 928 CG ASP A 57 -4.437 -6.943 4.878 1.00 0.00 C ATOM 929 OD1 ASP A 57 -3.356 -6.558 4.501 1.00 0.00 O ATOM 930 OD2 ASP A 57 -4.996 -7.896 4.392 1.00 0.00 O ATOM 0 H ASP A 57 -3.235 -7.230 7.600 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.540 -4.777 6.206 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.359 -7.127 6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.904 -5.744 5.873 1.00 0.00 H new ATOM 935 N TYR A 58 -4.956 -5.030 9.131 1.00 0.00 N ATOM 936 CA TYR A 58 -5.821 -4.386 10.111 1.00 0.00 C ATOM 937 C TYR A 58 -5.039 -3.381 10.952 1.00 0.00 C ATOM 938 O TYR A 58 -5.612 -2.656 11.765 1.00 0.00 O ATOM 939 CB TYR A 58 -6.477 -5.433 11.015 1.00 0.00 C ATOM 940 CG TYR A 58 -7.436 -6.353 10.292 1.00 0.00 C ATOM 941 CD1 TYR A 58 -8.740 -5.958 10.031 1.00 0.00 C ATOM 942 CD2 TYR A 58 -7.035 -7.613 9.875 1.00 0.00 C ATOM 943 CE1 TYR A 58 -9.620 -6.794 9.372 1.00 0.00 C ATOM 944 CE2 TYR A 58 -7.906 -8.458 9.215 1.00 0.00 C ATOM 945 CZ TYR A 58 -9.200 -8.044 8.965 1.00 0.00 C ATOM 946 OH TYR A 58 -10.072 -8.881 8.309 1.00 0.00 O ATOM 0 H TYR A 58 -4.476 -5.862 9.474 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.601 -3.848 9.571 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.697 -6.033 11.484 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.012 -4.923 11.816 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.073 -4.981 10.348 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.024 -7.940 10.070 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.632 -6.471 9.176 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.577 -9.436 8.896 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.617 -9.721 8.091 1.00 0.00 H new ATOM 956 N ARG A 59 -3.726 -3.346 10.748 1.00 0.00 N ATOM 957 CA ARG A 59 -2.877 -2.358 11.405 1.00 0.00 C ATOM 958 C ARG A 59 -2.980 -1.005 10.707 1.00 0.00 C ATOM 959 O ARG A 59 -3.039 -0.930 9.481 1.00 0.00 O ATOM 960 CB ARG A 59 -1.433 -2.823 11.518 1.00 0.00 C ATOM 961 CG ARG A 59 -0.518 -1.885 12.289 1.00 0.00 C ATOM 962 CD ARG A 59 0.832 -2.437 12.565 1.00 0.00 C ATOM 963 NE ARG A 59 1.747 -1.504 13.202 1.00 0.00 N ATOM 964 CZ ARG A 59 2.987 -1.816 13.627 1.00 0.00 C ATOM 965 NH1 ARG A 59 3.451 -3.042 13.520 1.00 0.00 N ATOM 966 NH2 ARG A 59 3.717 -0.862 14.178 1.00 0.00 N ATOM 0 H ARG A 59 -3.227 -3.990 10.134 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.244 -2.240 12.425 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.418 -3.800 12.001 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.030 -2.957 10.514 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.410 -0.958 11.726 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.994 -1.630 13.236 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.728 -3.316 13.201 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.272 -2.774 11.626 1.00 0.00 H new ATOM 0 HE ARG A 59 1.428 -0.545 13.337 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.870 -3.773 13.110 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.392 -3.261 13.847 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.338 0.080 14.272 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.659 -1.068 14.509 1.00 0.00 H new ATOM 980 N ASN A 60 -3.002 0.062 11.499 1.00 0.00 N ATOM 981 CA ASN A 60 -3.236 1.402 10.970 1.00 0.00 C ATOM 982 C ASN A 60 -1.999 1.926 10.249 1.00 0.00 C ATOM 983 O ASN A 60 -0.870 1.559 10.581 1.00 0.00 O ATOM 984 CB ASN A 60 -3.657 2.366 12.064 1.00 0.00 C ATOM 985 CG ASN A 60 -5.041 2.114 12.593 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.892 1.533 11.910 1.00 0.00 O ATOM 987 ND2 ASN A 60 -5.295 2.618 13.774 1.00 0.00 N ATOM 0 H ASN A 60 -2.861 0.026 12.509 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.053 1.331 10.252 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.946 2.300 12.887 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.605 3.384 11.678 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.231 2.540 14.171 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.557 3.088 14.297 1.00 0.00 H new ATOM 994 N LEU A 61 -2.218 2.787 9.261 1.00 0.00 N ATOM 995 CA LEU A 61 -1.119 3.406 8.527 1.00 0.00 C ATOM 996 C LEU A 61 -0.242 4.237 9.458 1.00 0.00 C ATOM 997 O LEU A 61 0.983 4.231 9.344 1.00 0.00 O ATOM 998 CB LEU A 61 -1.664 4.274 7.386 1.00 0.00 C ATOM 999 CG LEU A 61 -2.469 3.521 6.320 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.071 4.505 5.328 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.565 2.524 5.609 1.00 0.00 C ATOM 0 H LEU A 61 -3.146 3.072 8.950 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.504 2.614 8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.296 5.052 7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.827 4.775 6.900 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.284 2.977 6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.641 3.960 4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.731 5.194 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.273 5.067 4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.138 1.989 4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.741 3.055 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.168 1.812 6.333 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.878 4.949 10.381 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.153 5.711 11.393 1.00 0.00 C ATOM 1015 C ASN A 62 0.640 4.783 12.307 1.00 0.00 C ATOM 1016 O ASN A 62 1.767 5.093 12.694 1.00 0.00 O ATOM 1017 CB ASN A 62 -1.089 6.582 12.211 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.382 7.466 13.201 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.407 8.342 12.828 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.599 7.188 14.461 1.00 0.00 N ATOM 0 H ASN A 62 -1.893 5.015 10.450 1.00 0.00 H new ATOM 0 HA ASN A 62 0.544 6.365 10.870 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.675 7.205 11.535 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.792 5.943 12.745 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.106 7.705 15.189 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.261 6.455 14.715 1.00 0.00 H new ATOM 1027 N GLU A 63 0.045 3.644 12.647 1.00 0.00 N ATOM 1028 CA GLU A 63 0.691 2.677 13.526 1.00 0.00 C ATOM 1029 C GLU A 63 1.943 2.099 12.871 1.00 0.00 C ATOM 1030 O GLU A 63 2.905 1.742 13.551 1.00 0.00 O ATOM 1031 CB GLU A 63 -0.280 1.553 13.894 1.00 0.00 C ATOM 1032 CG GLU A 63 -1.327 1.940 14.928 1.00 0.00 C ATOM 1033 CD GLU A 63 -2.366 0.865 15.082 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -2.364 -0.053 14.298 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -3.091 0.902 16.049 1.00 0.00 O ATOM 0 H GLU A 63 -0.883 3.368 12.327 1.00 0.00 H new ATOM 0 HA GLU A 63 0.988 3.195 14.438 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.787 1.217 12.990 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.291 0.705 14.273 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.843 2.122 15.888 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.807 2.873 14.631 1.00 0.00 H new ATOM 1042 N TYR A 64 1.922 2.009 11.546 1.00 0.00 N ATOM 1043 CA TYR A 64 3.078 1.537 10.792 1.00 0.00 C ATOM 1044 C TYR A 64 4.127 2.636 10.659 1.00 0.00 C ATOM 1045 O TYR A 64 5.298 2.363 10.393 1.00 0.00 O ATOM 1046 CB TYR A 64 2.647 1.055 9.407 1.00 0.00 C ATOM 1047 CG TYR A 64 2.460 -0.443 9.316 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.528 -1.308 9.518 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.217 -0.991 9.028 1.00 0.00 C ATOM 1050 CE1 TYR A 64 3.361 -2.677 9.437 1.00 0.00 C ATOM 1051 CE2 TYR A 64 1.042 -2.359 8.945 1.00 0.00 C ATOM 1052 CZ TYR A 64 2.117 -3.198 9.151 1.00 0.00 C ATOM 1053 OH TYR A 64 1.945 -4.561 9.069 1.00 0.00 O ATOM 0 H TYR A 64 1.117 2.257 10.971 1.00 0.00 H new ATOM 0 HA TYR A 64 3.520 0.703 11.337 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.713 1.546 9.136 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.394 1.364 8.676 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.504 -0.904 9.742 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.373 -0.337 8.866 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.201 -3.336 9.597 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.069 -2.769 8.720 1.00 0.00 H new ATOM 0 HH TYR A 64 1.868 -4.936 9.971 1.00 0.00 H new ATOM 1063 N GLY A 65 3.699 3.882 10.845 1.00 0.00 N ATOM 1064 CA GLY A 65 4.602 5.006 10.693 1.00 0.00 C ATOM 1065 C GLY A 65 4.671 5.505 9.263 1.00 0.00 C ATOM 1066 O GLY A 65 5.702 6.016 8.826 1.00 0.00 O ATOM 0 H GLY A 65 2.743 4.131 11.098 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.278 5.819 11.343 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.599 4.714 11.021 1.00 0.00 H new ATOM 1070 N ILE A 66 3.571 5.356 8.532 1.00 0.00 N ATOM 1071 CA ILE A 66 3.544 5.697 7.116 1.00 0.00 C ATOM 1072 C ILE A 66 3.218 7.174 6.913 1.00 0.00 C ATOM 1073 O ILE A 66 2.175 7.658 7.354 1.00 0.00 O ATOM 1074 CB ILE A 66 2.519 4.842 6.349 1.00 0.00 C ATOM 1075 CG1 ILE A 66 2.902 3.362 6.417 1.00 0.00 C ATOM 1076 CG2 ILE A 66 2.418 5.304 4.902 1.00 0.00 C ATOM 1077 CD1 ILE A 66 1.827 2.429 5.909 1.00 0.00 C ATOM 0 H ILE A 66 2.687 5.001 8.898 1.00 0.00 H new ATOM 0 HA ILE A 66 4.539 5.491 6.722 1.00 0.00 H new ATOM 0 HB ILE A 66 1.543 4.966 6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.811 3.205 5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.135 3.104 7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.689 4.689 4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.101 6.347 4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.391 5.207 4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.172 1.398 5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.923 2.556 6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.609 2.659 4.866 1.00 0.00 H new ATOM 1089 N THR A 67 4.116 7.886 6.238 1.00 0.00 N ATOM 1090 CA THR A 67 3.967 9.323 6.050 1.00 0.00 C ATOM 1091 C THR A 67 3.519 9.648 4.630 1.00 0.00 C ATOM 1092 O THR A 67 3.394 8.757 3.791 1.00 0.00 O ATOM 1093 CB THR A 67 5.279 10.072 6.350 1.00 0.00 C ATOM 1094 OG1 THR A 67 6.262 9.729 5.366 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.799 9.704 7.731 1.00 0.00 C ATOM 0 H THR A 67 4.954 7.490 5.813 1.00 0.00 H new ATOM 0 HA THR A 67 3.203 9.655 6.753 1.00 0.00 H new ATOM 0 HB THR A 67 5.084 11.144 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.130 8.800 5.082 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.726 10.242 7.926 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.058 9.974 8.483 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.986 8.631 7.775 1.00 0.00 H new ATOM 1103 N GLU A 68 3.281 10.930 4.368 1.00 0.00 N ATOM 1104 CA GLU A 68 2.865 11.372 3.043 1.00 0.00 C ATOM 1105 C GLU A 68 4.076 11.676 2.165 1.00 0.00 C ATOM 1106 O GLU A 68 3.934 12.055 1.002 1.00 0.00 O ATOM 1107 CB GLU A 68 1.965 12.606 3.146 1.00 0.00 C ATOM 1108 CG GLU A 68 2.661 13.849 3.681 1.00 0.00 C ATOM 1109 CD GLU A 68 1.692 14.985 3.856 1.00 0.00 C ATOM 1110 OE1 GLU A 68 0.518 14.775 3.662 1.00 0.00 O ATOM 1111 OE2 GLU A 68 2.108 16.033 4.292 1.00 0.00 O ATOM 0 H GLU A 68 3.369 11.679 5.055 1.00 0.00 H new ATOM 0 HA GLU A 68 2.299 10.563 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.559 12.828 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.120 12.371 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.134 13.621 4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.455 14.147 2.996 1.00 0.00 H new ATOM 1118 N PHE A 69 5.266 11.508 2.731 1.00 0.00 N ATOM 1119 CA PHE A 69 6.501 11.795 2.012 1.00 0.00 C ATOM 1120 C PHE A 69 7.270 10.511 1.716 1.00 0.00 C ATOM 1121 O PHE A 69 7.987 10.420 0.719 1.00 0.00 O ATOM 1122 CB PHE A 69 7.374 12.762 2.813 1.00 0.00 C ATOM 1123 CG PHE A 69 6.709 14.076 3.110 1.00 0.00 C ATOM 1124 CD1 PHE A 69 6.497 15.007 2.105 1.00 0.00 C ATOM 1125 CD2 PHE A 69 6.292 14.383 4.396 1.00 0.00 C ATOM 1126 CE1 PHE A 69 5.887 16.216 2.377 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.680 15.591 4.672 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.477 16.506 3.662 1.00 0.00 C ATOM 0 H PHE A 69 5.401 11.175 3.685 1.00 0.00 H new ATOM 0 HA PHE A 69 6.239 12.263 1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.657 12.288 3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.295 12.948 2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.813 14.784 1.097 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.447 13.670 5.192 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.731 16.933 1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.361 15.818 5.679 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.997 17.450 3.876 1.00 0.00 H new ATOM 1138 N SER A 70 7.115 9.521 2.588 1.00 0.00 N ATOM 1139 CA SER A 70 7.737 8.217 2.383 1.00 0.00 C ATOM 1140 C SER A 70 7.011 7.435 1.292 1.00 0.00 C ATOM 1141 O SER A 70 5.917 7.807 0.873 1.00 0.00 O ATOM 1142 CB SER A 70 7.749 7.433 3.682 1.00 0.00 C ATOM 1143 OG SER A 70 6.457 7.218 4.178 1.00 0.00 O ATOM 0 H SER A 70 6.564 9.596 3.443 1.00 0.00 H new ATOM 0 HA SER A 70 8.766 8.373 2.059 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.240 6.473 3.521 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.337 7.972 4.425 1.00 0.00 H new ATOM 0 HG SER A 70 6.488 6.549 4.894 1.00 0.00 H new ATOM 1149 N GLU A 71 7.632 6.349 0.841 1.00 0.00 N ATOM 1150 CA GLU A 71 7.190 5.668 -0.371 1.00 0.00 C ATOM 1151 C GLU A 71 6.723 4.250 -0.056 1.00 0.00 C ATOM 1152 O GLU A 71 7.268 3.586 0.827 1.00 0.00 O ATOM 1153 CB GLU A 71 8.315 5.636 -1.409 1.00 0.00 C ATOM 1154 CG GLU A 71 8.716 7.003 -1.944 1.00 0.00 C ATOM 1155 CD GLU A 71 9.857 6.896 -2.918 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.367 5.815 -3.088 1.00 0.00 O ATOM 1157 OE2 GLU A 71 10.144 7.870 -3.573 1.00 0.00 O ATOM 0 H GLU A 71 8.440 5.923 1.295 1.00 0.00 H new ATOM 0 HA GLU A 71 6.348 6.224 -0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.190 5.163 -0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.004 5.009 -2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.861 7.470 -2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.002 7.651 -1.115 1.00 0.00 H new ATOM 1164 N ILE A 72 5.711 3.791 -0.786 1.00 0.00 N ATOM 1165 CA ILE A 72 5.226 2.424 -0.645 1.00 0.00 C ATOM 1166 C ILE A 72 5.421 1.636 -1.935 1.00 0.00 C ATOM 1167 O ILE A 72 4.967 2.048 -3.003 1.00 0.00 O ATOM 1168 CB ILE A 72 3.738 2.390 -0.252 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.525 3.084 1.096 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.234 0.955 -0.202 1.00 0.00 C ATOM 1171 CD1 ILE A 72 2.072 3.304 1.447 1.00 0.00 C ATOM 0 H ILE A 72 5.212 4.346 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 72 5.811 1.963 0.151 1.00 0.00 H new ATOM 0 HB ILE A 72 3.167 2.928 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.992 2.487 1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.036 4.047 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.180 0.949 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.352 0.494 -1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.808 0.393 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.003 3.800 2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.604 3.928 0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.560 2.343 1.494 1.00 0.00 H new ATOM 1183 N VAL A 73 6.099 0.497 -1.831 1.00 0.00 N ATOM 1184 CA VAL A 73 6.448 -0.295 -3.003 1.00 0.00 C ATOM 1185 C VAL A 73 5.598 -1.559 -3.087 1.00 0.00 C ATOM 1186 O VAL A 73 5.550 -2.351 -2.146 1.00 0.00 O ATOM 1187 CB VAL A 73 7.937 -0.690 -2.997 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.269 -1.538 -4.215 1.00 0.00 C ATOM 1189 CG2 VAL A 73 8.816 0.551 -2.958 1.00 0.00 C ATOM 0 H VAL A 73 6.417 0.103 -0.946 1.00 0.00 H new ATOM 0 HA VAL A 73 6.252 0.331 -3.874 1.00 0.00 H new ATOM 0 HB VAL A 73 8.133 -1.281 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.325 -1.808 -4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.663 -2.444 -4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.057 -0.971 -5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.865 0.254 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.616 1.166 -3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.598 1.123 -2.056 1.00 0.00 H new ATOM 1199 N VAL A 74 4.928 -1.740 -4.219 1.00 0.00 N ATOM 1200 CA VAL A 74 3.997 -2.850 -4.388 1.00 0.00 C ATOM 1201 C VAL A 74 4.386 -3.719 -5.578 1.00 0.00 C ATOM 1202 O VAL A 74 4.612 -3.218 -6.680 1.00 0.00 O ATOM 1203 CB VAL A 74 2.551 -2.353 -4.578 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.592 -3.529 -4.672 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.152 -1.429 -3.439 1.00 0.00 C ATOM 0 H VAL A 74 5.012 -1.132 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 74 4.049 -3.444 -3.476 1.00 0.00 H new ATOM 0 HB VAL A 74 2.499 -1.791 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.575 -3.160 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.866 -4.155 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.647 -4.117 -3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.128 -1.087 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.220 -1.967 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.822 -0.569 -3.416 1.00 0.00 H new ATOM 1215 N PHE A 75 4.462 -5.026 -5.350 1.00 0.00 N ATOM 1216 CA PHE A 75 4.868 -5.962 -6.392 1.00 0.00 C ATOM 1217 C PHE A 75 3.669 -6.743 -6.919 1.00 0.00 C ATOM 1218 O PHE A 75 2.914 -7.339 -6.150 1.00 0.00 O ATOM 1219 CB PHE A 75 5.933 -6.924 -5.862 1.00 0.00 C ATOM 1220 CG PHE A 75 7.189 -6.242 -5.400 1.00 0.00 C ATOM 1221 CD1 PHE A 75 8.222 -5.980 -6.287 1.00 0.00 C ATOM 1222 CD2 PHE A 75 7.340 -5.861 -4.074 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.378 -5.355 -5.863 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.496 -5.233 -3.648 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.515 -4.980 -4.541 1.00 0.00 C ATOM 0 H PHE A 75 4.248 -5.461 -4.453 1.00 0.00 H new ATOM 0 HA PHE A 75 5.292 -5.387 -7.215 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.514 -7.494 -5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.186 -7.639 -6.645 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.121 -6.268 -7.323 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.547 -6.057 -3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.175 -5.159 -6.565 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.601 -4.940 -2.614 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.418 -4.490 -4.208 1.00 0.00 H new ATOM 1235 N LEU A 76 3.496 -6.735 -8.236 1.00 0.00 N ATOM 1236 CA LEU A 76 2.295 -7.283 -8.854 1.00 0.00 C ATOM 1237 C LEU A 76 2.522 -8.723 -9.306 1.00 0.00 C ATOM 1238 O LEU A 76 3.457 -9.009 -10.053 1.00 0.00 O ATOM 1239 CB LEU A 76 1.864 -6.411 -10.041 1.00 0.00 C ATOM 1240 CG LEU A 76 0.630 -6.911 -10.805 1.00 0.00 C ATOM 1241 CD1 LEU A 76 -0.601 -6.840 -9.912 1.00 0.00 C ATOM 1242 CD2 LEU A 76 0.435 -6.074 -12.060 1.00 0.00 C ATOM 0 H LEU A 76 4.173 -6.354 -8.897 1.00 0.00 H new ATOM 0 HA LEU A 76 1.498 -7.284 -8.110 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.663 -5.404 -9.677 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.698 -6.337 -10.739 1.00 0.00 H new ATOM 0 HG LEU A 76 0.780 -7.950 -11.097 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.471 -7.197 -10.463 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.448 -7.464 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.766 -5.808 -9.601 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.441 -6.430 -12.602 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.291 -5.030 -11.782 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.316 -6.162 -12.696 1.00 0.00 H new ATOM 1254 N LYS A 77 1.659 -9.623 -8.849 1.00 0.00 N ATOM 1255 CA LYS A 77 1.702 -11.013 -9.287 1.00 0.00 C ATOM 1256 C LYS A 77 0.320 -11.485 -9.729 1.00 0.00 C ATOM 1257 O LYS A 77 -0.458 -11.998 -8.924 1.00 0.00 O ATOM 1258 CB LYS A 77 2.235 -11.913 -8.170 1.00 0.00 C ATOM 1259 CG LYS A 77 3.688 -11.653 -7.794 1.00 0.00 C ATOM 1260 CD LYS A 77 4.260 -12.797 -6.971 1.00 0.00 C ATOM 1261 CE LYS A 77 5.721 -12.555 -6.624 1.00 0.00 C ATOM 1262 NZ LYS A 77 6.246 -13.579 -5.679 1.00 0.00 N ATOM 0 H LYS A 77 0.921 -9.415 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 77 2.378 -11.077 -10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.614 -11.780 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.132 -12.954 -8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.282 -11.521 -8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.759 -10.724 -7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.681 -12.913 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.166 -13.730 -7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.317 -12.564 -7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.830 -11.564 -6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.244 -13.378 -5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.694 -13.553 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.167 -14.522 -6.110 1.00 0.00 H new ATOM 1276 N SER A 78 0.022 -11.309 -11.012 1.00 0.00 N ATOM 1277 CA SER A 78 -1.259 -11.732 -11.565 1.00 0.00 C ATOM 1278 C SER A 78 -1.238 -13.220 -11.907 1.00 0.00 C ATOM 1279 O SER A 78 -2.287 -13.855 -12.025 1.00 0.00 O ATOM 1280 CB SER A 78 -1.598 -10.910 -12.792 1.00 0.00 C ATOM 1281 OG SER A 78 -1.771 -9.554 -12.485 1.00 0.00 O ATOM 0 H SER A 78 0.651 -10.876 -11.689 1.00 0.00 H new ATOM 0 HA SER A 78 -2.029 -11.569 -10.811 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.803 -11.016 -13.530 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.509 -11.298 -13.247 1.00 0.00 H new ATOM 0 HG SER A 78 -2.407 -9.465 -11.745 1.00 0.00 H new ATOM 1287 N ILE A 79 -0.038 -13.768 -12.063 1.00 0.00 N ATOM 1288 CA ILE A 79 0.123 -15.189 -12.345 1.00 0.00 C ATOM 1289 C ILE A 79 -0.672 -15.596 -13.581 1.00 0.00 C ATOM 1290 O ILE A 79 -1.447 -16.552 -13.546 1.00 0.00 O ATOM 1291 CB ILE A 79 -0.320 -16.055 -11.151 1.00 0.00 C ATOM 1292 CG1 ILE A 79 0.286 -15.520 -9.850 1.00 0.00 C ATOM 1293 CG2 ILE A 79 0.080 -17.506 -11.370 1.00 0.00 C ATOM 1294 CD1 ILE A 79 1.797 -15.468 -9.856 1.00 0.00 C ATOM 0 H ILE A 79 0.838 -13.249 -11.999 1.00 0.00 H new ATOM 0 HA ILE A 79 1.184 -15.357 -12.528 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.406 -16.006 -11.071 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.102 -14.518 -9.665 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.043 -16.148 -9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.240 -18.104 -10.517 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.395 -17.882 -12.276 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.163 -17.573 -11.474 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.151 -15.079 -8.902 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.195 -16.471 -10.009 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.135 -14.817 -10.662 1.00 0.00 H new ATOM 1306 N ASN A 80 -0.475 -14.865 -14.674 1.00 0.00 N ATOM 1307 CA ASN A 80 -1.202 -15.127 -15.911 1.00 0.00 C ATOM 1308 C ASN A 80 -0.388 -16.023 -16.840 1.00 0.00 C ATOM 1309 O ASN A 80 -0.746 -16.216 -18.002 1.00 0.00 O ATOM 1310 CB ASN A 80 -1.579 -13.838 -16.617 1.00 0.00 C ATOM 1311 CG ASN A 80 -0.398 -13.048 -17.107 1.00 0.00 C ATOM 1312 OD1 ASN A 80 0.759 -13.428 -16.897 1.00 0.00 O ATOM 1313 ND2 ASN A 80 -0.682 -11.910 -17.687 1.00 0.00 N ATOM 0 H ASN A 80 0.182 -14.087 -14.728 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.123 -15.646 -15.645 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.224 -14.073 -17.464 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.162 -13.218 -15.935 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.070 -11.290 -17.989 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.655 -11.643 -17.837 1.00 0.00 H new ATOM 1320 N ARG A 81 0.709 -16.565 -16.320 1.00 0.00 N ATOM 1321 CA ARG A 81 1.560 -17.460 -17.095 1.00 0.00 C ATOM 1322 C ARG A 81 0.770 -18.667 -17.591 1.00 0.00 C ATOM 1323 O ARG A 81 0.646 -18.890 -18.795 1.00 0.00 O ATOM 1324 CB ARG A 81 2.803 -17.882 -16.326 1.00 0.00 C ATOM 1325 CG ARG A 81 3.753 -18.788 -17.093 1.00 0.00 C ATOM 1326 CD ARG A 81 4.977 -19.167 -16.343 1.00 0.00 C ATOM 1327 NE ARG A 81 5.903 -20.006 -17.086 1.00 0.00 N ATOM 1328 CZ ARG A 81 7.021 -20.555 -16.570 1.00 0.00 C ATOM 1329 NH1 ARG A 81 7.376 -20.325 -15.326 1.00 0.00 N ATOM 1330 NH2 ARG A 81 7.765 -21.311 -17.357 1.00 0.00 N ATOM 0 H ARG A 81 1.029 -16.400 -15.366 1.00 0.00 H new ATOM 0 HA ARG A 81 1.908 -16.904 -17.965 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.345 -16.987 -16.021 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.493 -18.393 -15.415 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.220 -19.695 -17.378 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.047 -18.288 -18.016 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.496 -18.259 -16.036 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.683 -19.690 -15.433 1.00 0.00 H new ATOM 0 HE ARG A 81 5.692 -20.192 -18.066 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.803 -19.723 -14.735 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.225 -20.748 -14.951 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.488 -21.466 -18.326 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.617 -21.740 -16.995 1.00 0.00 H new ATOM 1344 N ALA A 82 0.238 -19.446 -16.654 1.00 0.00 N ATOM 1345 CA ALA A 82 -0.553 -20.622 -16.996 1.00 0.00 C ATOM 1346 C ALA A 82 -1.843 -20.228 -17.707 1.00 0.00 C ATOM 1347 O ALA A 82 -2.182 -20.779 -18.754 1.00 0.00 O ATOM 1348 CB ALA A 82 -0.862 -21.431 -15.746 1.00 0.00 C ATOM 0 H ALA A 82 0.341 -19.284 -15.652 1.00 0.00 H new ATOM 0 HA ALA A 82 0.033 -21.238 -17.678 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.453 -22.306 -16.016 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.070 -21.752 -15.281 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.425 -20.816 -15.044 1.00 0.00 H new ATOM 1354 N LYS A 83 -2.563 -19.272 -17.129 1.00 0.00 N ATOM 1355 CA LYS A 83 -3.795 -18.775 -17.729 1.00 0.00 C ATOM 1356 C LYS A 83 -4.195 -17.435 -17.116 1.00 0.00 C ATOM 1357 O LYS A 83 -3.899 -17.160 -15.952 1.00 0.00 O ATOM 1358 CB LYS A 83 -4.924 -19.793 -17.558 1.00 0.00 C ATOM 1359 CG LYS A 83 -5.351 -20.023 -16.115 1.00 0.00 C ATOM 1360 CD LYS A 83 -6.509 -21.006 -16.030 1.00 0.00 C ATOM 1361 CE LYS A 83 -6.893 -21.288 -14.585 1.00 0.00 C ATOM 1362 NZ LYS A 83 -7.986 -22.292 -14.485 1.00 0.00 N ATOM 0 H LYS A 83 -2.314 -18.826 -16.246 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.617 -18.627 -18.794 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.789 -19.458 -18.131 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.607 -20.744 -17.986 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.506 -20.402 -15.540 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.643 -19.074 -15.664 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.369 -20.604 -16.565 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.234 -21.938 -16.524 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.019 -21.648 -14.041 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.207 -20.361 -14.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.217 -22.455 -13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.829 -21.939 -14.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.678 -23.185 -14.919 1.00 0.00 H new ATOM 1376 N ASP A 84 -4.871 -16.608 -17.906 1.00 0.00 N ATOM 1377 CA ASP A 84 -5.318 -15.301 -17.438 1.00 0.00 C ATOM 1378 C ASP A 84 -6.256 -15.441 -16.244 1.00 0.00 C ATOM 1379 O ASP A 84 -7.179 -16.254 -16.294 1.00 0.00 O ATOM 1380 CB ASP A 84 -6.013 -14.534 -18.567 1.00 0.00 C ATOM 1381 CG ASP A 84 -5.072 -14.013 -19.645 1.00 0.00 C ATOM 1382 OD1 ASP A 84 -3.881 -14.071 -19.446 1.00 0.00 O ATOM 1383 OD2 ASP A 84 -5.539 -13.707 -20.716 1.00 0.00 O ATOM 1384 OXT ASP A 84 -6.090 -14.763 -15.268 1.00 0.00 O ATOM 0 H ASP A 84 -5.121 -16.819 -18.872 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.439 -14.739 -17.121 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.752 -15.186 -19.032 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.556 -13.692 -18.137 1.00 0.00 H new TER 1389 ASP A 84