USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 548 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 13 MET CE :methyl -131:sc= -0.0466 (180deg=0) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -129:sc= -0.0539 (180deg=-0.882) USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= -2.62 F(o=-16!,f=-4.6) USER MOD Set 2.2: A 52 ASN : amide:sc= -1.99 K(o=-4.6,f=-6.1!) USER MOD Set 3.1: A 21 GLN :FLIP amide:sc= 0.762 F(o=0.76,f=2) USER MOD Set 3.2: A 50 TYR OH : rot 148:sc= 1.24 USER MOD Set 4.1: A 35 TYR OH : rot 108:sc= 0.905 USER MOD Set 4.2: A 38 SER OG : rot -120:sc= 0 USER MOD Set 4.3: A 57 HIS : no HE2:sc= -1.72 K(o=-0.019,f=-7.4!) USER MOD Set 4.4: A 61 THR OG1 : rot 96:sc= 0.8 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= -0.0835 (180deg=-0.606) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.016 (180deg=-0.314) USER MOD Single : A 26 SER OG : rot -43:sc= 0.173 USER MOD Single : A 30 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-2.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -1.43 (180deg=-2.91!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.598 K(o=-0.6,f=-10!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -118:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 13 60.618 2.162 12.915 1.00 1.00 N ATOM 2 CA MET A 13 59.638 3.248 12.624 1.00 1.00 C ATOM 3 C MET A 13 59.962 3.873 11.271 1.00 1.00 C ATOM 4 O MET A 13 59.108 3.934 10.391 1.00 1.00 O ATOM 5 CB MET A 13 59.713 4.308 13.725 1.00 1.00 C ATOM 6 CG MET A 13 59.140 3.737 15.024 1.00 1.00 C ATOM 7 SD MET A 13 59.285 4.969 16.342 1.00 1.00 S ATOM 8 CE MET A 13 57.738 5.848 16.013 1.00 1.00 C ATOM 0 HA MET A 13 58.629 2.837 12.594 1.00 1.00 H new ATOM 0 HB2 MET A 13 60.747 4.618 13.876 1.00 1.00 H new ATOM 0 HB3 MET A 13 59.155 5.196 13.428 1.00 1.00 H new ATOM 0 HG2 MET A 13 58.095 3.462 14.883 1.00 1.00 H new ATOM 0 HG3 MET A 13 59.674 2.828 15.301 1.00 1.00 H new ATOM 0 HE1 MET A 13 57.930 6.920 15.972 1.00 1.00 H new ATOM 0 HE2 MET A 13 57.327 5.517 15.059 1.00 1.00 H new ATOM 0 HE3 MET A 13 57.024 5.638 16.809 1.00 1.00 H new ATOM 18 N ARG A 14 61.201 4.323 11.117 1.00 1.00 N ATOM 19 CA ARG A 14 61.649 4.939 9.883 1.00 1.00 C ATOM 20 C ARG A 14 61.126 4.187 8.660 1.00 1.00 C ATOM 21 O ARG A 14 60.989 4.757 7.581 1.00 1.00 O ATOM 22 CB ARG A 14 63.171 4.959 9.864 1.00 1.00 C ATOM 23 CG ARG A 14 63.642 5.903 8.772 1.00 1.00 C ATOM 24 CD ARG A 14 65.165 5.984 8.794 1.00 1.00 C ATOM 25 NE ARG A 14 65.633 6.992 7.850 1.00 1.00 N ATOM 26 CZ ARG A 14 66.928 7.262 7.719 1.00 1.00 C ATOM 27 NH1 ARG A 14 67.805 6.624 8.444 1.00 1.00 N ATOM 28 NH2 ARG A 14 67.322 8.169 6.867 1.00 1.00 N ATOM 0 H ARG A 14 61.917 4.270 11.842 1.00 1.00 H new ATOM 0 HA ARG A 14 61.257 5.955 9.840 1.00 1.00 H new ATOM 0 HB2 ARG A 14 63.555 5.282 10.832 1.00 1.00 H new ATOM 0 HB3 ARG A 14 63.558 3.956 9.686 1.00 1.00 H new ATOM 0 HG2 ARG A 14 63.300 5.551 7.799 1.00 1.00 H new ATOM 0 HG3 ARG A 14 63.212 6.893 8.922 1.00 1.00 H new ATOM 0 HD2 ARG A 14 65.508 6.230 9.799 1.00 1.00 H new ATOM 0 HD3 ARG A 14 65.591 5.013 8.541 1.00 1.00 H new ATOM 0 HE ARG A 14 64.955 7.499 7.280 1.00 1.00 H new ATOM 0 HH11 ARG A 14 67.497 5.917 9.112 1.00 1.00 H new ATOM 0 HH12 ARG A 14 68.798 6.832 8.343 1.00 1.00 H new ATOM 0 HH21 ARG A 14 66.636 8.670 6.302 1.00 1.00 H new ATOM 0 HH22 ARG A 14 68.316 8.377 6.766 1.00 1.00 H new ATOM 42 N ILE A 15 60.847 2.901 8.836 1.00 1.00 N ATOM 43 CA ILE A 15 60.350 2.064 7.735 1.00 1.00 C ATOM 44 C ILE A 15 59.330 2.852 6.914 1.00 1.00 C ATOM 45 O ILE A 15 59.453 2.975 5.699 1.00 1.00 O ATOM 46 CB ILE A 15 59.701 0.762 8.296 1.00 1.00 C ATOM 47 CG1 ILE A 15 59.977 0.655 9.801 1.00 1.00 C ATOM 48 CG2 ILE A 15 60.291 -0.475 7.595 1.00 1.00 C ATOM 49 CD1 ILE A 15 59.353 -0.630 10.352 1.00 1.00 C ATOM 0 H ILE A 15 60.954 2.411 9.724 1.00 1.00 H new ATOM 0 HA ILE A 15 61.186 1.784 7.094 1.00 1.00 H new ATOM 0 HB ILE A 15 58.627 0.804 8.114 1.00 1.00 H new ATOM 0 HG12 ILE A 15 61.052 0.656 9.984 1.00 1.00 H new ATOM 0 HG13 ILE A 15 59.565 1.521 10.318 1.00 1.00 H new ATOM 0 HG21 ILE A 15 59.828 -1.376 7.997 1.00 1.00 H new ATOM 0 HG22 ILE A 15 60.096 -0.414 6.524 1.00 1.00 H new ATOM 0 HG23 ILE A 15 61.367 -0.512 7.767 1.00 1.00 H new ATOM 0 HD11 ILE A 15 59.552 -0.702 11.421 1.00 1.00 H new ATOM 0 HD12 ILE A 15 58.276 -0.613 10.183 1.00 1.00 H new ATOM 0 HD13 ILE A 15 59.786 -1.492 9.844 1.00 1.00 H new ATOM 61 N TYR A 16 58.341 3.397 7.603 1.00 1.00 N ATOM 62 CA TYR A 16 57.302 4.186 6.953 1.00 1.00 C ATOM 63 C TYR A 16 57.960 5.234 6.055 1.00 1.00 C ATOM 64 O TYR A 16 57.592 5.392 4.893 1.00 1.00 O ATOM 65 CB TYR A 16 56.401 4.836 8.054 1.00 1.00 C ATOM 66 CG TYR A 16 56.728 6.321 8.265 1.00 1.00 C ATOM 67 CD1 TYR A 16 57.757 6.702 9.152 1.00 1.00 C ATOM 68 CD2 TYR A 16 56.011 7.318 7.574 1.00 1.00 C ATOM 69 CE1 TYR A 16 58.061 8.049 9.341 1.00 1.00 C ATOM 70 CE2 TYR A 16 56.324 8.669 7.770 1.00 1.00 C ATOM 71 CZ TYR A 16 57.348 9.035 8.651 1.00 1.00 C ATOM 72 OH TYR A 16 57.653 10.367 8.839 1.00 1.00 O ATOM 0 H TYR A 16 58.234 3.309 8.613 1.00 1.00 H new ATOM 0 HA TYR A 16 56.668 3.561 6.324 1.00 1.00 H new ATOM 0 HB2 TYR A 16 55.353 4.732 7.772 1.00 1.00 H new ATOM 0 HB3 TYR A 16 56.533 4.299 8.993 1.00 1.00 H new ATOM 0 HD1 TYR A 16 58.312 5.946 9.687 1.00 1.00 H new ATOM 0 HD2 TYR A 16 55.220 7.040 6.893 1.00 1.00 H new ATOM 0 HE1 TYR A 16 58.850 8.332 10.022 1.00 1.00 H new ATOM 0 HE2 TYR A 16 55.773 9.431 7.239 1.00 1.00 H new ATOM 0 HH TYR A 16 57.064 10.919 8.283 1.00 1.00 H new ATOM 82 N LYS A 17 58.953 5.917 6.598 1.00 1.00 N ATOM 83 CA LYS A 17 59.676 6.919 5.827 1.00 1.00 C ATOM 84 C LYS A 17 60.415 6.243 4.677 1.00 1.00 C ATOM 85 O LYS A 17 60.524 6.795 3.589 1.00 1.00 O ATOM 86 CB LYS A 17 60.671 7.661 6.723 1.00 1.00 C ATOM 87 CG LYS A 17 61.300 8.817 5.940 1.00 1.00 C ATOM 88 CD LYS A 17 62.228 9.612 6.861 1.00 1.00 C ATOM 89 CE LYS A 17 62.842 10.775 6.081 1.00 1.00 C ATOM 90 NZ LYS A 17 61.763 11.708 5.651 1.00 1.00 N ATOM 0 H LYS A 17 59.276 5.800 7.558 1.00 1.00 H new ATOM 0 HA LYS A 17 58.964 7.640 5.425 1.00 1.00 H new ATOM 0 HB2 LYS A 17 60.164 8.042 7.610 1.00 1.00 H new ATOM 0 HB3 LYS A 17 61.446 6.977 7.068 1.00 1.00 H new ATOM 0 HG2 LYS A 17 61.859 8.431 5.088 1.00 1.00 H new ATOM 0 HG3 LYS A 17 60.521 9.467 5.542 1.00 1.00 H new ATOM 0 HD2 LYS A 17 61.672 9.989 7.719 1.00 1.00 H new ATOM 0 HD3 LYS A 17 63.014 8.965 7.250 1.00 1.00 H new ATOM 0 HE2 LYS A 17 63.567 11.301 6.702 1.00 1.00 H new ATOM 0 HE3 LYS A 17 63.381 10.399 5.211 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 62.175 12.637 5.432 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 61.293 11.329 4.804 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 61.067 11.810 6.417 1.00 1.00 H new ATOM 104 N GLY A 18 60.912 5.034 4.931 1.00 1.00 N ATOM 105 CA GLY A 18 61.627 4.269 3.912 1.00 1.00 C ATOM 106 C GLY A 18 60.671 3.740 2.855 1.00 1.00 C ATOM 107 O GLY A 18 61.050 3.543 1.699 1.00 1.00 O ATOM 0 H GLY A 18 60.833 4.564 5.833 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.381 4.900 3.442 1.00 1.00 H new ATOM 0 HA3 GLY A 18 62.154 3.437 4.380 1.00 1.00 H new ATOM 111 N VAL A 19 59.435 3.480 3.270 1.00 1.00 N ATOM 112 CA VAL A 19 58.435 2.939 2.368 1.00 1.00 C ATOM 113 C VAL A 19 58.142 3.942 1.255 1.00 1.00 C ATOM 114 O VAL A 19 57.583 3.595 0.214 1.00 1.00 O ATOM 115 CB VAL A 19 57.155 2.588 3.148 1.00 1.00 C ATOM 116 CG1 VAL A 19 55.969 2.396 2.176 1.00 1.00 C ATOM 117 CG2 VAL A 19 57.379 1.280 3.919 1.00 1.00 C ATOM 0 H VAL A 19 59.107 3.636 4.223 1.00 1.00 H new ATOM 0 HA VAL A 19 58.816 2.025 1.913 1.00 1.00 H new ATOM 0 HB VAL A 19 56.927 3.402 3.836 1.00 1.00 H new ATOM 0 HG11 VAL A 19 55.071 2.148 2.742 1.00 1.00 H new ATOM 0 HG12 VAL A 19 55.803 3.317 1.618 1.00 1.00 H new ATOM 0 HG13 VAL A 19 56.195 1.587 1.482 1.00 1.00 H new ATOM 0 HG21 VAL A 19 56.476 1.026 4.474 1.00 1.00 H new ATOM 0 HG22 VAL A 19 57.611 0.479 3.217 1.00 1.00 H new ATOM 0 HG23 VAL A 19 58.209 1.405 4.614 1.00 1.00 H new ATOM 127 N ILE A 20 58.527 5.184 1.491 1.00 1.00 N ATOM 128 CA ILE A 20 58.313 6.247 0.515 1.00 1.00 C ATOM 129 C ILE A 20 58.881 5.795 -0.820 1.00 1.00 C ATOM 130 O ILE A 20 58.326 6.083 -1.874 1.00 1.00 O ATOM 131 CB ILE A 20 59.067 7.512 0.991 1.00 1.00 C ATOM 132 CG1 ILE A 20 58.266 8.232 2.106 1.00 1.00 C ATOM 133 CG2 ILE A 20 59.323 8.495 -0.174 1.00 1.00 C ATOM 134 CD1 ILE A 20 56.881 8.698 1.599 1.00 1.00 C ATOM 0 H ILE A 20 58.990 5.485 2.349 1.00 1.00 H new ATOM 0 HA ILE A 20 57.250 6.467 0.412 1.00 1.00 H new ATOM 0 HB ILE A 20 60.030 7.187 1.384 1.00 1.00 H new ATOM 0 HG12 ILE A 20 58.137 7.560 2.954 1.00 1.00 H new ATOM 0 HG13 ILE A 20 58.832 9.092 2.464 1.00 1.00 H new ATOM 0 HG21 ILE A 20 59.854 9.371 0.199 1.00 1.00 H new ATOM 0 HG22 ILE A 20 59.925 8.004 -0.939 1.00 1.00 H new ATOM 0 HG23 ILE A 20 58.371 8.805 -0.605 1.00 1.00 H new ATOM 0 HD11 ILE A 20 56.347 9.198 2.407 1.00 1.00 H new ATOM 0 HD12 ILE A 20 57.012 9.390 0.767 1.00 1.00 H new ATOM 0 HD13 ILE A 20 56.306 7.834 1.265 1.00 1.00 H new ATOM 146 N GLN A 21 59.988 5.074 -0.762 1.00 1.00 N ATOM 147 CA GLN A 21 60.618 4.578 -1.974 1.00 1.00 C ATOM 148 C GLN A 21 59.556 3.958 -2.874 1.00 1.00 C ATOM 149 O GLN A 21 59.707 3.915 -4.096 1.00 1.00 O ATOM 150 CB GLN A 21 61.667 3.522 -1.616 1.00 1.00 C ATOM 151 CG GLN A 21 62.833 4.179 -0.875 1.00 1.00 C ATOM 152 CD GLN A 21 63.593 5.112 -1.813 1.00 1.00 C ATOM 153 OE1 GLN A 21 63.934 4.693 -3.001 1.00 1.00 O flip ATOM 154 NE2 GLN A 21 63.884 6.253 -1.453 1.00 1.00 N flip ATOM 0 H GLN A 21 60.466 4.821 0.103 1.00 1.00 H new ATOM 0 HA GLN A 21 61.104 5.403 -2.495 1.00 1.00 H new ATOM 0 HB2 GLN A 21 61.219 2.748 -0.993 1.00 1.00 H new ATOM 0 HB3 GLN A 21 62.028 3.034 -2.521 1.00 1.00 H new ATOM 0 HG2 GLN A 21 62.460 4.738 -0.017 1.00 1.00 H new ATOM 0 HG3 GLN A 21 63.505 3.413 -0.488 1.00 1.00 H new ATOM 0 HE21 GLN A 21 63.617 6.578 -0.524 1.00 1.00 H new ATOM 0 HE22 GLN A 21 64.393 6.873 -2.084 1.00 1.00 H new ATOM 163 N ALA A 22 58.466 3.508 -2.256 1.00 1.00 N ATOM 164 CA ALA A 22 57.358 2.926 -3.002 1.00 1.00 C ATOM 165 C ALA A 22 56.463 4.040 -3.546 1.00 1.00 C ATOM 166 O ALA A 22 56.103 4.049 -4.722 1.00 1.00 O ATOM 167 CB ALA A 22 56.530 2.000 -2.097 1.00 1.00 C ATOM 0 H ALA A 22 58.329 3.536 -1.246 1.00 1.00 H new ATOM 0 HA ALA A 22 57.762 2.342 -3.829 1.00 1.00 H new ATOM 0 HB1 ALA A 22 55.706 1.573 -2.669 1.00 1.00 H new ATOM 0 HB2 ALA A 22 57.164 1.197 -1.720 1.00 1.00 H new ATOM 0 HB3 ALA A 22 56.132 2.572 -1.259 1.00 1.00 H new ATOM 173 N ILE A 23 56.103 4.971 -2.663 1.00 1.00 N ATOM 174 CA ILE A 23 55.241 6.092 -3.035 1.00 1.00 C ATOM 175 C ILE A 23 55.936 7.032 -4.024 1.00 1.00 C ATOM 176 O ILE A 23 55.332 7.484 -4.997 1.00 1.00 O ATOM 177 CB ILE A 23 54.843 6.870 -1.776 1.00 1.00 C ATOM 178 CG1 ILE A 23 53.954 5.980 -0.901 1.00 1.00 C ATOM 179 CG2 ILE A 23 54.066 8.131 -2.173 1.00 1.00 C ATOM 180 CD1 ILE A 23 53.742 6.635 0.471 1.00 1.00 C ATOM 0 H ILE A 23 56.395 4.971 -1.686 1.00 1.00 H new ATOM 0 HA ILE A 23 54.353 5.690 -3.522 1.00 1.00 H new ATOM 0 HB ILE A 23 55.738 7.158 -1.225 1.00 1.00 H new ATOM 0 HG12 ILE A 23 52.993 5.820 -1.389 1.00 1.00 H new ATOM 0 HG13 ILE A 23 54.415 5.000 -0.778 1.00 1.00 H new ATOM 0 HG21 ILE A 23 53.784 8.682 -1.276 1.00 1.00 H new ATOM 0 HG22 ILE A 23 54.693 8.761 -2.804 1.00 1.00 H new ATOM 0 HG23 ILE A 23 53.168 7.847 -2.722 1.00 1.00 H new ATOM 0 HD11 ILE A 23 53.109 5.995 1.086 1.00 1.00 H new ATOM 0 HD12 ILE A 23 54.706 6.771 0.962 1.00 1.00 H new ATOM 0 HD13 ILE A 23 53.261 7.604 0.341 1.00 1.00 H new ATOM 192 N GLN A 24 57.198 7.337 -3.751 1.00 1.00 N ATOM 193 CA GLN A 24 57.964 8.246 -4.596 1.00 1.00 C ATOM 194 C GLN A 24 58.195 7.663 -5.984 1.00 1.00 C ATOM 195 O GLN A 24 58.286 8.405 -6.961 1.00 1.00 O ATOM 196 CB GLN A 24 59.315 8.552 -3.944 1.00 1.00 C ATOM 197 CG GLN A 24 60.062 9.603 -4.771 1.00 1.00 C ATOM 198 CD GLN A 24 61.374 9.969 -4.085 1.00 1.00 C ATOM 199 OE1 GLN A 24 62.091 9.091 -3.606 1.00 1.00 O ATOM 200 NE2 GLN A 24 61.733 11.222 -4.011 1.00 1.00 N ATOM 0 H GLN A 24 57.713 6.969 -2.951 1.00 1.00 H new ATOM 0 HA GLN A 24 57.385 9.163 -4.703 1.00 1.00 H new ATOM 0 HB2 GLN A 24 59.165 8.915 -2.927 1.00 1.00 H new ATOM 0 HB3 GLN A 24 59.910 7.641 -3.873 1.00 1.00 H new ATOM 0 HG2 GLN A 24 60.260 9.218 -5.771 1.00 1.00 H new ATOM 0 HG3 GLN A 24 59.443 10.492 -4.889 1.00 1.00 H new ATOM 0 HE21 GLN A 24 61.137 11.948 -4.409 1.00 1.00 H new ATOM 0 HE22 GLN A 24 62.610 11.475 -3.555 1.00 1.00 H new ATOM 209 N LYS A 25 58.318 6.341 -6.070 1.00 1.00 N ATOM 210 CA LYS A 25 58.577 5.702 -7.364 1.00 1.00 C ATOM 211 C LYS A 25 57.722 6.333 -8.475 1.00 1.00 C ATOM 212 O LYS A 25 58.242 6.699 -9.529 1.00 1.00 O ATOM 213 CB LYS A 25 58.276 4.193 -7.277 1.00 1.00 C ATOM 214 CG LYS A 25 59.154 3.418 -8.271 1.00 1.00 C ATOM 215 CD LYS A 25 58.923 1.917 -8.087 1.00 1.00 C ATOM 216 CE LYS A 25 59.728 1.145 -9.136 1.00 1.00 C ATOM 217 NZ LYS A 25 61.185 1.349 -8.897 1.00 1.00 N ATOM 0 H LYS A 25 58.245 5.700 -5.280 1.00 1.00 H new ATOM 0 HA LYS A 25 59.628 5.853 -7.609 1.00 1.00 H new ATOM 0 HB2 LYS A 25 58.460 3.836 -6.264 1.00 1.00 H new ATOM 0 HB3 LYS A 25 57.223 4.012 -7.493 1.00 1.00 H new ATOM 0 HG2 LYS A 25 58.913 3.712 -9.293 1.00 1.00 H new ATOM 0 HG3 LYS A 25 60.205 3.658 -8.110 1.00 1.00 H new ATOM 0 HD2 LYS A 25 59.224 1.612 -7.085 1.00 1.00 H new ATOM 0 HD3 LYS A 25 57.862 1.687 -8.185 1.00 1.00 H new ATOM 0 HE2 LYS A 25 59.486 0.083 -9.086 1.00 1.00 H new ATOM 0 HE3 LYS A 25 59.462 1.486 -10.137 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 61.726 0.630 -9.418 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 61.461 2.296 -9.226 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 61.385 1.263 -7.880 1.00 1.00 H new ATOM 231 N SER A 26 56.419 6.470 -8.226 1.00 1.00 N ATOM 232 CA SER A 26 55.511 7.076 -9.207 1.00 1.00 C ATOM 233 C SER A 26 55.453 6.261 -10.495 1.00 1.00 C ATOM 234 O SER A 26 54.766 6.626 -11.449 1.00 1.00 O ATOM 235 CB SER A 26 55.987 8.485 -9.546 1.00 1.00 C ATOM 236 OG SER A 26 54.914 9.216 -10.122 1.00 1.00 O ATOM 0 H SER A 26 55.969 6.173 -7.360 1.00 1.00 H new ATOM 0 HA SER A 26 54.516 7.102 -8.763 1.00 1.00 H new ATOM 0 HB2 SER A 26 56.343 8.987 -8.647 1.00 1.00 H new ATOM 0 HB3 SER A 26 56.826 8.441 -10.240 1.00 1.00 H new ATOM 0 HG SER A 26 54.441 8.650 -10.767 1.00 1.00 H new ATOM 242 N ASP A 27 56.171 5.158 -10.508 1.00 1.00 N ATOM 243 CA ASP A 27 56.213 4.275 -11.669 1.00 1.00 C ATOM 244 C ASP A 27 55.322 3.079 -11.402 1.00 1.00 C ATOM 245 O ASP A 27 54.776 2.465 -12.318 1.00 1.00 O ATOM 246 CB ASP A 27 57.657 3.805 -11.924 1.00 1.00 C ATOM 247 CG ASP A 27 57.827 3.354 -13.375 1.00 1.00 C ATOM 248 OD1 ASP A 27 57.178 3.923 -14.236 1.00 1.00 O ATOM 249 OD2 ASP A 27 58.613 2.448 -13.603 1.00 1.00 O ATOM 0 H ASP A 27 56.741 4.844 -9.723 1.00 1.00 H new ATOM 0 HA ASP A 27 55.862 4.811 -12.551 1.00 1.00 H new ATOM 0 HB2 ASP A 27 58.353 4.615 -11.705 1.00 1.00 H new ATOM 0 HB3 ASP A 27 57.902 2.983 -11.251 1.00 1.00 H new ATOM 254 N GLU A 28 55.173 2.764 -10.119 1.00 1.00 N ATOM 255 CA GLU A 28 54.342 1.655 -9.695 1.00 1.00 C ATOM 256 C GLU A 28 53.725 1.970 -8.336 1.00 1.00 C ATOM 257 O GLU A 28 53.946 1.247 -7.366 1.00 1.00 O ATOM 258 CB GLU A 28 55.156 0.357 -9.599 1.00 1.00 C ATOM 259 CG GLU A 28 55.590 -0.091 -10.999 1.00 1.00 C ATOM 260 CD GLU A 28 56.372 -1.397 -10.912 1.00 1.00 C ATOM 261 OE1 GLU A 28 56.551 -1.889 -9.811 1.00 1.00 O ATOM 262 OE2 GLU A 28 56.782 -1.885 -11.953 1.00 1.00 O ATOM 0 H GLU A 28 55.622 3.268 -9.355 1.00 1.00 H new ATOM 0 HA GLU A 28 53.557 1.513 -10.437 1.00 1.00 H new ATOM 0 HB2 GLU A 28 56.032 0.513 -8.970 1.00 1.00 H new ATOM 0 HB3 GLU A 28 54.559 -0.423 -9.127 1.00 1.00 H new ATOM 0 HG2 GLU A 28 54.714 -0.224 -11.635 1.00 1.00 H new ATOM 0 HG3 GLU A 28 56.206 0.680 -11.462 1.00 1.00 H new ATOM 269 N GLY A 29 52.946 3.054 -8.266 1.00 1.00 N ATOM 270 CA GLY A 29 52.299 3.440 -7.021 1.00 1.00 C ATOM 271 C GLY A 29 50.866 2.917 -7.003 1.00 1.00 C ATOM 272 O GLY A 29 50.150 3.063 -6.012 1.00 1.00 O ATOM 0 H GLY A 29 52.753 3.672 -9.054 1.00 1.00 H new ATOM 0 HA2 GLY A 29 52.853 3.039 -6.172 1.00 1.00 H new ATOM 0 HA3 GLY A 29 52.302 4.525 -6.920 1.00 1.00 H new ATOM 276 N HIS A 30 50.440 2.314 -8.117 1.00 1.00 N ATOM 277 CA HIS A 30 49.081 1.781 -8.204 1.00 1.00 C ATOM 278 C HIS A 30 48.992 0.440 -7.462 1.00 1.00 C ATOM 279 O HIS A 30 48.033 0.202 -6.730 1.00 1.00 O ATOM 280 CB HIS A 30 48.602 1.647 -9.680 1.00 1.00 C ATOM 281 CG HIS A 30 49.661 2.162 -10.619 1.00 1.00 C ATOM 282 ND1 HIS A 30 50.405 1.323 -11.434 1.00 1.00 N ATOM 283 CD2 HIS A 30 50.104 3.433 -10.888 1.00 1.00 C ATOM 284 CE1 HIS A 30 51.246 2.093 -12.148 1.00 1.00 C ATOM 285 NE2 HIS A 30 51.105 3.387 -11.853 1.00 1.00 N ATOM 0 H HIS A 30 51.006 2.185 -8.956 1.00 1.00 H new ATOM 0 HA HIS A 30 48.409 2.490 -7.721 1.00 1.00 H new ATOM 0 HB2 HIS A 30 48.382 0.603 -9.905 1.00 1.00 H new ATOM 0 HB3 HIS A 30 47.677 2.206 -9.822 1.00 1.00 H new ATOM 0 HD2 HIS A 30 49.732 4.333 -10.421 1.00 1.00 H new ATOM 0 HE1 HIS A 30 51.950 1.710 -12.872 1.00 1.00 H new ATOM 0 HE2 HIS A 30 51.620 4.173 -12.250 1.00 1.00 H new ATOM 293 N PRO A 31 49.971 -0.423 -7.601 1.00 1.00 N ATOM 294 CA PRO A 31 49.987 -1.725 -6.897 1.00 1.00 C ATOM 295 C PRO A 31 50.693 -1.594 -5.547 1.00 1.00 C ATOM 296 O PRO A 31 50.973 -2.585 -4.874 1.00 1.00 O ATOM 297 CB PRO A 31 50.750 -2.651 -7.867 1.00 1.00 C ATOM 298 CG PRO A 31 51.514 -1.743 -8.818 1.00 1.00 C ATOM 299 CD PRO A 31 51.172 -0.281 -8.432 1.00 1.00 C ATOM 0 HA PRO A 31 48.994 -2.109 -6.664 1.00 1.00 H new ATOM 0 HB2 PRO A 31 51.432 -3.305 -7.324 1.00 1.00 H new ATOM 0 HB3 PRO A 31 50.060 -3.293 -8.414 1.00 1.00 H new ATOM 0 HG2 PRO A 31 52.587 -1.920 -8.740 1.00 1.00 H new ATOM 0 HG3 PRO A 31 51.232 -1.944 -9.851 1.00 1.00 H new ATOM 0 HD2 PRO A 31 51.987 0.191 -7.884 1.00 1.00 H new ATOM 0 HD3 PRO A 31 50.982 0.333 -9.312 1.00 1.00 H new ATOM 307 N PHE A 32 50.979 -0.348 -5.188 1.00 1.00 N ATOM 308 CA PHE A 32 51.663 -0.027 -3.944 1.00 1.00 C ATOM 309 C PHE A 32 51.197 -0.890 -2.771 1.00 1.00 C ATOM 310 O PHE A 32 51.875 -0.956 -1.752 1.00 1.00 O ATOM 311 CB PHE A 32 51.475 1.460 -3.620 1.00 1.00 C ATOM 312 CG PHE A 32 50.106 1.699 -3.034 1.00 1.00 C ATOM 313 CD1 PHE A 32 48.966 1.327 -3.755 1.00 1.00 C ATOM 314 CD2 PHE A 32 49.972 2.282 -1.769 1.00 1.00 C ATOM 315 CE1 PHE A 32 47.703 1.532 -3.215 1.00 1.00 C ATOM 316 CE2 PHE A 32 48.702 2.485 -1.228 1.00 1.00 C ATOM 317 CZ PHE A 32 47.564 2.108 -1.949 1.00 1.00 C ATOM 0 H PHE A 32 50.742 0.468 -5.753 1.00 1.00 H new ATOM 0 HA PHE A 32 52.721 -0.245 -4.090 1.00 1.00 H new ATOM 0 HB2 PHE A 32 52.241 1.786 -2.916 1.00 1.00 H new ATOM 0 HB3 PHE A 32 51.600 2.055 -4.525 1.00 1.00 H new ATOM 0 HD1 PHE A 32 49.068 0.880 -4.733 1.00 1.00 H new ATOM 0 HD2 PHE A 32 50.850 2.574 -1.212 1.00 1.00 H new ATOM 0 HE1 PHE A 32 46.825 1.245 -3.775 1.00 1.00 H new ATOM 0 HE2 PHE A 32 48.597 2.934 -0.251 1.00 1.00 H new ATOM 0 HZ PHE A 32 46.581 2.262 -1.529 1.00 1.00 H new ATOM 327 N ARG A 33 50.049 -1.541 -2.910 1.00 1.00 N ATOM 328 CA ARG A 33 49.535 -2.381 -1.835 1.00 1.00 C ATOM 329 C ARG A 33 50.383 -3.630 -1.654 1.00 1.00 C ATOM 330 O ARG A 33 50.584 -4.090 -0.535 1.00 1.00 O ATOM 331 CB ARG A 33 48.078 -2.760 -2.105 1.00 1.00 C ATOM 332 CG ARG A 33 47.983 -3.628 -3.376 1.00 1.00 C ATOM 333 CD ARG A 33 46.517 -4.005 -3.641 1.00 1.00 C ATOM 334 NE ARG A 33 46.426 -4.844 -4.830 1.00 1.00 N ATOM 335 CZ ARG A 33 45.269 -5.032 -5.454 1.00 1.00 C ATOM 336 NH1 ARG A 33 44.186 -4.454 -5.011 1.00 1.00 N ATOM 337 NH2 ARG A 33 45.217 -5.794 -6.513 1.00 1.00 N ATOM 0 H ARG A 33 49.463 -1.505 -3.744 1.00 1.00 H new ATOM 0 HA ARG A 33 49.584 -1.807 -0.910 1.00 1.00 H new ATOM 0 HB2 ARG A 33 47.672 -3.304 -1.252 1.00 1.00 H new ATOM 0 HB3 ARG A 33 47.476 -1.859 -2.225 1.00 1.00 H new ATOM 0 HG2 ARG A 33 48.388 -3.085 -4.230 1.00 1.00 H new ATOM 0 HG3 ARG A 33 48.584 -4.530 -3.257 1.00 1.00 H new ATOM 0 HD2 ARG A 33 46.107 -4.534 -2.780 1.00 1.00 H new ATOM 0 HD3 ARG A 33 45.919 -3.103 -3.775 1.00 1.00 H new ATOM 0 HE ARG A 33 47.267 -5.295 -5.189 1.00 1.00 H new ATOM 0 HH11 ARG A 33 44.228 -3.857 -4.185 1.00 1.00 H new ATOM 0 HH12 ARG A 33 43.298 -4.599 -5.491 1.00 1.00 H new ATOM 0 HH21 ARG A 33 46.064 -6.244 -6.860 1.00 1.00 H new ATOM 0 HH22 ARG A 33 44.329 -5.940 -6.994 1.00 1.00 H new ATOM 351 N ALA A 34 50.878 -4.179 -2.755 1.00 1.00 N ATOM 352 CA ALA A 34 51.700 -5.380 -2.665 1.00 1.00 C ATOM 353 C ALA A 34 53.041 -5.056 -2.009 1.00 1.00 C ATOM 354 O ALA A 34 53.640 -5.904 -1.347 1.00 1.00 O ATOM 355 CB ALA A 34 51.904 -6.039 -4.045 1.00 1.00 C ATOM 0 H ALA A 34 50.731 -3.824 -3.700 1.00 1.00 H new ATOM 0 HA ALA A 34 51.171 -6.101 -2.041 1.00 1.00 H new ATOM 0 HB1 ALA A 34 52.522 -6.930 -3.935 1.00 1.00 H new ATOM 0 HB2 ALA A 34 50.936 -6.317 -4.462 1.00 1.00 H new ATOM 0 HB3 ALA A 34 52.399 -5.335 -4.715 1.00 1.00 H new ATOM 361 N TYR A 35 53.507 -3.824 -2.195 1.00 1.00 N ATOM 362 CA TYR A 35 54.782 -3.398 -1.618 1.00 1.00 C ATOM 363 C TYR A 35 54.758 -3.573 -0.095 1.00 1.00 C ATOM 364 O TYR A 35 55.802 -3.733 0.537 1.00 1.00 O ATOM 365 CB TYR A 35 55.050 -1.908 -1.964 1.00 1.00 C ATOM 366 CG TYR A 35 56.529 -1.595 -1.798 1.00 1.00 C ATOM 367 CD1 TYR A 35 57.057 -1.366 -0.512 1.00 1.00 C ATOM 368 CD2 TYR A 35 57.385 -1.536 -2.922 1.00 1.00 C ATOM 369 CE1 TYR A 35 58.416 -1.082 -0.353 1.00 1.00 C ATOM 370 CE2 TYR A 35 58.745 -1.252 -2.749 1.00 1.00 C ATOM 371 CZ TYR A 35 59.259 -1.026 -1.468 1.00 1.00 C ATOM 372 OH TYR A 35 60.600 -0.747 -1.304 1.00 1.00 O ATOM 0 H TYR A 35 53.026 -3.106 -2.737 1.00 1.00 H new ATOM 0 HA TYR A 35 55.577 -4.015 -2.037 1.00 1.00 H new ATOM 0 HB2 TYR A 35 54.739 -1.702 -2.988 1.00 1.00 H new ATOM 0 HB3 TYR A 35 54.458 -1.263 -1.315 1.00 1.00 H new ATOM 0 HD1 TYR A 35 56.411 -1.410 0.352 1.00 1.00 H new ATOM 0 HD2 TYR A 35 56.990 -1.710 -3.912 1.00 1.00 H new ATOM 0 HE1 TYR A 35 58.817 -0.905 0.634 1.00 1.00 H new ATOM 0 HE2 TYR A 35 59.399 -1.207 -3.607 1.00 1.00 H new ATOM 0 HH TYR A 35 61.124 -1.561 -1.457 1.00 1.00 H new ATOM 382 N LEU A 36 53.560 -3.534 0.481 1.00 1.00 N ATOM 383 CA LEU A 36 53.390 -3.677 1.929 1.00 1.00 C ATOM 384 C LEU A 36 53.656 -5.106 2.388 1.00 1.00 C ATOM 385 O LEU A 36 54.043 -5.338 3.530 1.00 1.00 O ATOM 386 CB LEU A 36 51.982 -3.236 2.339 1.00 1.00 C ATOM 387 CG LEU A 36 51.931 -1.695 2.484 1.00 1.00 C ATOM 388 CD1 LEU A 36 52.667 -0.987 1.327 1.00 1.00 C ATOM 389 CD2 LEU A 36 50.476 -1.252 2.486 1.00 1.00 C ATOM 0 H LEU A 36 52.688 -3.404 -0.032 1.00 1.00 H new ATOM 0 HA LEU A 36 54.122 -3.034 2.418 1.00 1.00 H new ATOM 0 HB2 LEU A 36 51.258 -3.564 1.593 1.00 1.00 H new ATOM 0 HB3 LEU A 36 51.704 -3.708 3.282 1.00 1.00 H new ATOM 0 HG LEU A 36 52.426 -1.424 3.417 1.00 1.00 H new ATOM 0 HD11 LEU A 36 52.609 0.093 1.465 1.00 1.00 H new ATOM 0 HD12 LEU A 36 53.712 -1.296 1.318 1.00 1.00 H new ATOM 0 HD13 LEU A 36 52.201 -1.257 0.380 1.00 1.00 H new ATOM 0 HD21 LEU A 36 50.426 -0.168 2.588 1.00 1.00 H new ATOM 0 HD22 LEU A 36 50.003 -1.551 1.550 1.00 1.00 H new ATOM 0 HD23 LEU A 36 49.955 -1.719 3.321 1.00 1.00 H new ATOM 401 N GLU A 37 53.429 -6.058 1.509 1.00 1.00 N ATOM 402 CA GLU A 37 53.636 -7.446 1.851 1.00 1.00 C ATOM 403 C GLU A 37 55.014 -7.655 2.463 1.00 1.00 C ATOM 404 O GLU A 37 55.148 -8.284 3.512 1.00 1.00 O ATOM 405 CB GLU A 37 53.521 -8.278 0.578 1.00 1.00 C ATOM 406 CG GLU A 37 53.799 -9.752 0.868 1.00 1.00 C ATOM 407 CD GLU A 37 52.702 -10.341 1.750 1.00 1.00 C ATOM 408 OE1 GLU A 37 52.739 -10.098 2.945 1.00 1.00 O ATOM 409 OE2 GLU A 37 51.843 -11.025 1.218 1.00 1.00 O ATOM 0 H GLU A 37 53.102 -5.896 0.556 1.00 1.00 H new ATOM 0 HA GLU A 37 52.886 -7.750 2.582 1.00 1.00 H new ATOM 0 HB2 GLU A 37 52.523 -8.168 0.155 1.00 1.00 H new ATOM 0 HB3 GLU A 37 54.226 -7.910 -0.168 1.00 1.00 H new ATOM 0 HG2 GLU A 37 53.858 -10.308 -0.068 1.00 1.00 H new ATOM 0 HG3 GLU A 37 54.765 -9.855 1.362 1.00 1.00 H new ATOM 416 N SER A 38 56.034 -7.153 1.785 1.00 1.00 N ATOM 417 CA SER A 38 57.401 -7.321 2.252 1.00 1.00 C ATOM 418 C SER A 38 57.680 -6.495 3.509 1.00 1.00 C ATOM 419 O SER A 38 58.394 -6.932 4.405 1.00 1.00 O ATOM 420 CB SER A 38 58.365 -6.907 1.141 1.00 1.00 C ATOM 421 OG SER A 38 58.151 -5.538 0.821 1.00 1.00 O ATOM 0 H SER A 38 55.943 -6.629 0.915 1.00 1.00 H new ATOM 0 HA SER A 38 57.545 -8.371 2.509 1.00 1.00 H new ATOM 0 HB2 SER A 38 59.395 -7.061 1.461 1.00 1.00 H new ATOM 0 HB3 SER A 38 58.209 -7.528 0.258 1.00 1.00 H new ATOM 0 HG SER A 38 57.895 -5.459 -0.122 1.00 1.00 H new ATOM 427 N GLU A 39 57.105 -5.301 3.574 1.00 1.00 N ATOM 428 CA GLU A 39 57.314 -4.426 4.721 1.00 1.00 C ATOM 429 C GLU A 39 57.191 -5.206 6.014 1.00 1.00 C ATOM 430 O GLU A 39 57.677 -4.771 7.058 1.00 1.00 O ATOM 431 CB GLU A 39 56.286 -3.280 4.718 1.00 1.00 C ATOM 432 CG GLU A 39 56.623 -2.255 3.628 1.00 1.00 C ATOM 433 CD GLU A 39 55.507 -1.224 3.535 1.00 1.00 C ATOM 434 OE1 GLU A 39 54.579 -1.316 4.320 1.00 1.00 O ATOM 435 OE2 GLU A 39 55.587 -0.367 2.673 1.00 1.00 O ATOM 0 H GLU A 39 56.495 -4.918 2.852 1.00 1.00 H new ATOM 0 HA GLU A 39 58.318 -4.009 4.648 1.00 1.00 H new ATOM 0 HB2 GLU A 39 55.286 -3.681 4.551 1.00 1.00 H new ATOM 0 HB3 GLU A 39 56.275 -2.792 5.693 1.00 1.00 H new ATOM 0 HG2 GLU A 39 57.568 -1.763 3.857 1.00 1.00 H new ATOM 0 HG3 GLU A 39 56.749 -2.757 2.669 1.00 1.00 H new ATOM 442 N VAL A 40 56.528 -6.356 5.950 1.00 1.00 N ATOM 443 CA VAL A 40 56.345 -7.165 7.145 1.00 1.00 C ATOM 444 C VAL A 40 57.592 -7.998 7.469 1.00 1.00 C ATOM 445 O VAL A 40 58.089 -7.956 8.593 1.00 1.00 O ATOM 446 CB VAL A 40 55.120 -8.084 7.002 1.00 1.00 C ATOM 447 CG1 VAL A 40 55.063 -9.038 8.204 1.00 1.00 C ATOM 448 CG2 VAL A 40 53.831 -7.244 6.967 1.00 1.00 C ATOM 0 H VAL A 40 56.116 -6.742 5.100 1.00 1.00 H new ATOM 0 HA VAL A 40 56.178 -6.477 7.973 1.00 1.00 H new ATOM 0 HB VAL A 40 55.205 -8.651 6.075 1.00 1.00 H new ATOM 0 HG11 VAL A 40 54.196 -9.692 8.108 1.00 1.00 H new ATOM 0 HG12 VAL A 40 55.971 -9.640 8.234 1.00 1.00 H new ATOM 0 HG13 VAL A 40 54.981 -8.459 9.124 1.00 1.00 H new ATOM 0 HG21 VAL A 40 52.969 -7.904 6.866 1.00 1.00 H new ATOM 0 HG22 VAL A 40 53.744 -6.673 7.891 1.00 1.00 H new ATOM 0 HG23 VAL A 40 53.866 -6.560 6.119 1.00 1.00 H new ATOM 458 N ALA A 41 58.096 -8.755 6.492 1.00 1.00 N ATOM 459 CA ALA A 41 59.286 -9.580 6.729 1.00 1.00 C ATOM 460 C ALA A 41 60.537 -8.706 6.680 1.00 1.00 C ATOM 461 O ALA A 41 61.628 -9.121 7.073 1.00 1.00 O ATOM 462 CB ALA A 41 59.392 -10.708 5.682 1.00 1.00 C ATOM 0 H ALA A 41 57.711 -8.815 5.549 1.00 1.00 H new ATOM 0 HA ALA A 41 59.199 -10.036 7.715 1.00 1.00 H new ATOM 0 HB1 ALA A 41 60.282 -11.305 5.879 1.00 1.00 H new ATOM 0 HB2 ALA A 41 58.508 -11.343 5.741 1.00 1.00 H new ATOM 0 HB3 ALA A 41 59.460 -10.273 4.685 1.00 1.00 H new ATOM 468 N ILE A 42 60.348 -7.488 6.184 1.00 1.00 N ATOM 469 CA ILE A 42 61.427 -6.506 6.055 1.00 1.00 C ATOM 470 C ILE A 42 61.448 -5.569 7.256 1.00 1.00 C ATOM 471 O ILE A 42 62.499 -5.047 7.625 1.00 1.00 O ATOM 472 CB ILE A 42 61.213 -5.721 4.762 1.00 1.00 C ATOM 473 CG1 ILE A 42 61.240 -6.691 3.571 1.00 1.00 C ATOM 474 CG2 ILE A 42 62.284 -4.628 4.594 1.00 1.00 C ATOM 475 CD1 ILE A 42 62.557 -7.465 3.501 1.00 1.00 C ATOM 0 H ILE A 42 59.442 -7.150 5.859 1.00 1.00 H new ATOM 0 HA ILE A 42 62.389 -7.017 6.021 1.00 1.00 H new ATOM 0 HB ILE A 42 60.243 -5.226 4.805 1.00 1.00 H new ATOM 0 HG12 ILE A 42 60.410 -7.392 3.654 1.00 1.00 H new ATOM 0 HG13 ILE A 42 61.095 -6.134 2.645 1.00 1.00 H new ATOM 0 HG21 ILE A 42 62.107 -4.085 3.665 1.00 1.00 H new ATOM 0 HG22 ILE A 42 62.232 -3.936 5.434 1.00 1.00 H new ATOM 0 HG23 ILE A 42 63.272 -5.088 4.563 1.00 1.00 H new ATOM 0 HD11 ILE A 42 62.537 -8.140 2.646 1.00 1.00 H new ATOM 0 HD12 ILE A 42 63.385 -6.765 3.391 1.00 1.00 H new ATOM 0 HD13 ILE A 42 62.689 -8.042 4.416 1.00 1.00 H new ATOM 487 N SER A 43 60.266 -5.353 7.823 1.00 1.00 N ATOM 488 CA SER A 43 60.076 -4.474 8.987 1.00 1.00 C ATOM 489 C SER A 43 61.345 -4.289 9.834 1.00 1.00 C ATOM 490 O SER A 43 61.529 -3.238 10.450 1.00 1.00 O ATOM 491 CB SER A 43 58.971 -5.048 9.875 1.00 1.00 C ATOM 492 OG SER A 43 58.878 -4.283 11.069 1.00 1.00 O ATOM 0 H SER A 43 59.403 -5.783 7.491 1.00 1.00 H new ATOM 0 HA SER A 43 59.809 -3.493 8.595 1.00 1.00 H new ATOM 0 HB2 SER A 43 58.019 -5.032 9.345 1.00 1.00 H new ATOM 0 HB3 SER A 43 59.186 -6.090 10.114 1.00 1.00 H new ATOM 0 HG SER A 43 58.169 -4.649 11.638 1.00 1.00 H new ATOM 498 N GLU A 44 62.204 -5.302 9.888 1.00 1.00 N ATOM 499 CA GLU A 44 63.422 -5.222 10.683 1.00 1.00 C ATOM 500 C GLU A 44 64.259 -3.994 10.300 1.00 1.00 C ATOM 501 O GLU A 44 64.754 -3.285 11.177 1.00 1.00 O ATOM 502 CB GLU A 44 64.236 -6.501 10.471 1.00 1.00 C ATOM 503 CG GLU A 44 65.391 -6.549 11.467 1.00 1.00 C ATOM 504 CD GLU A 44 64.863 -6.801 12.875 1.00 1.00 C ATOM 505 OE1 GLU A 44 63.678 -7.062 13.007 1.00 1.00 O ATOM 506 OE2 GLU A 44 65.653 -6.732 13.801 1.00 1.00 O ATOM 0 H GLU A 44 62.079 -6.185 9.392 1.00 1.00 H new ATOM 0 HA GLU A 44 63.151 -5.120 11.734 1.00 1.00 H new ATOM 0 HB2 GLU A 44 63.597 -7.375 10.598 1.00 1.00 H new ATOM 0 HB3 GLU A 44 64.621 -6.533 9.452 1.00 1.00 H new ATOM 0 HG2 GLU A 44 66.090 -7.337 11.187 1.00 1.00 H new ATOM 0 HG3 GLU A 44 65.943 -5.609 11.441 1.00 1.00 H new ATOM 513 N GLU A 45 64.414 -3.742 8.999 1.00 1.00 N ATOM 514 CA GLU A 45 65.200 -2.590 8.540 1.00 1.00 C ATOM 515 C GLU A 45 65.090 -2.444 7.021 1.00 1.00 C ATOM 516 O GLU A 45 65.923 -2.960 6.276 1.00 1.00 O ATOM 517 CB GLU A 45 66.670 -2.771 8.933 1.00 1.00 C ATOM 518 CG GLU A 45 67.450 -1.482 8.649 1.00 1.00 C ATOM 519 CD GLU A 45 67.017 -0.377 9.611 1.00 1.00 C ATOM 520 OE1 GLU A 45 66.271 -0.674 10.529 1.00 1.00 O ATOM 521 OE2 GLU A 45 67.446 0.748 9.418 1.00 1.00 O ATOM 0 H GLU A 45 64.013 -4.309 8.252 1.00 1.00 H new ATOM 0 HA GLU A 45 64.807 -1.690 9.013 1.00 1.00 H new ATOM 0 HB2 GLU A 45 66.744 -3.025 9.990 1.00 1.00 H new ATOM 0 HB3 GLU A 45 67.105 -3.600 8.375 1.00 1.00 H new ATOM 0 HG2 GLU A 45 68.519 -1.666 8.753 1.00 1.00 H new ATOM 0 HG3 GLU A 45 67.280 -1.165 7.620 1.00 1.00 H new ATOM 528 N LEU A 46 64.043 -1.760 6.573 1.00 1.00 N ATOM 529 CA LEU A 46 63.813 -1.572 5.140 1.00 1.00 C ATOM 530 C LEU A 46 64.857 -0.690 4.460 1.00 1.00 C ATOM 531 O LEU A 46 65.274 -0.981 3.340 1.00 1.00 O ATOM 532 CB LEU A 46 62.418 -0.981 4.900 1.00 1.00 C ATOM 533 CG LEU A 46 62.199 -0.736 3.377 1.00 1.00 C ATOM 534 CD1 LEU A 46 60.789 -1.165 2.958 1.00 1.00 C ATOM 535 CD2 LEU A 46 62.378 0.755 3.047 1.00 1.00 C ATOM 0 H LEU A 46 63.342 -1.328 7.175 1.00 1.00 H new ATOM 0 HA LEU A 46 63.894 -2.562 4.692 1.00 1.00 H new ATOM 0 HB2 LEU A 46 61.656 -1.660 5.281 1.00 1.00 H new ATOM 0 HB3 LEU A 46 62.312 -0.044 5.447 1.00 1.00 H new ATOM 0 HG LEU A 46 62.936 -1.327 2.833 1.00 1.00 H new ATOM 0 HD11 LEU A 46 60.656 -0.986 1.891 1.00 1.00 H new ATOM 0 HD12 LEU A 46 60.654 -2.226 3.167 1.00 1.00 H new ATOM 0 HD13 LEU A 46 60.052 -0.589 3.517 1.00 1.00 H new ATOM 0 HD21 LEU A 46 62.222 0.913 1.980 1.00 1.00 H new ATOM 0 HD22 LEU A 46 61.652 1.342 3.610 1.00 1.00 H new ATOM 0 HD23 LEU A 46 63.386 1.069 3.317 1.00 1.00 H new ATOM 547 N VAL A 47 65.249 0.406 5.096 1.00 1.00 N ATOM 548 CA VAL A 47 66.203 1.315 4.468 1.00 1.00 C ATOM 549 C VAL A 47 67.522 0.626 4.171 1.00 1.00 C ATOM 550 O VAL A 47 68.063 0.758 3.074 1.00 1.00 O ATOM 551 CB VAL A 47 66.464 2.518 5.375 1.00 1.00 C ATOM 552 CG1 VAL A 47 67.553 3.408 4.765 1.00 1.00 C ATOM 553 CG2 VAL A 47 65.179 3.327 5.498 1.00 1.00 C ATOM 0 H VAL A 47 64.931 0.685 6.024 1.00 1.00 H new ATOM 0 HA VAL A 47 65.764 1.645 3.527 1.00 1.00 H new ATOM 0 HB VAL A 47 66.791 2.169 6.354 1.00 1.00 H new ATOM 0 HG11 VAL A 47 67.732 4.262 5.418 1.00 1.00 H new ATOM 0 HG12 VAL A 47 68.473 2.834 4.657 1.00 1.00 H new ATOM 0 HG13 VAL A 47 67.228 3.761 3.786 1.00 1.00 H new ATOM 0 HG21 VAL A 47 65.352 4.189 6.143 1.00 1.00 H new ATOM 0 HG22 VAL A 47 64.869 3.669 4.511 1.00 1.00 H new ATOM 0 HG23 VAL A 47 64.396 2.703 5.928 1.00 1.00 H new ATOM 563 N GLN A 48 68.054 -0.090 5.146 1.00 1.00 N ATOM 564 CA GLN A 48 69.323 -0.756 4.936 1.00 1.00 C ATOM 565 C GLN A 48 69.177 -1.900 3.937 1.00 1.00 C ATOM 566 O GLN A 48 70.023 -2.088 3.066 1.00 1.00 O ATOM 567 CB GLN A 48 69.871 -1.290 6.264 1.00 1.00 C ATOM 568 CG GLN A 48 71.294 -1.829 6.071 1.00 1.00 C ATOM 569 CD GLN A 48 72.239 -0.682 5.727 1.00 1.00 C ATOM 570 OE1 GLN A 48 73.215 -0.884 4.886 1.00 1.00 O flip ATOM 571 NE2 GLN A 48 72.088 0.426 6.242 1.00 1.00 N flip ATOM 0 H GLN A 48 67.638 -0.222 6.068 1.00 1.00 H new ATOM 0 HA GLN A 48 70.024 -0.027 4.529 1.00 1.00 H new ATOM 0 HB2 GLN A 48 69.873 -0.496 7.011 1.00 1.00 H new ATOM 0 HB3 GLN A 48 69.223 -2.081 6.642 1.00 1.00 H new ATOM 0 HG2 GLN A 48 71.630 -2.329 6.980 1.00 1.00 H new ATOM 0 HG3 GLN A 48 71.306 -2.573 5.275 1.00 1.00 H new ATOM 0 HE21 GLN A 48 71.324 0.583 6.900 1.00 1.00 H new ATOM 0 HE22 GLN A 48 72.727 1.187 6.011 1.00 1.00 H new ATOM 580 N LYS A 49 68.100 -2.663 4.074 1.00 1.00 N ATOM 581 CA LYS A 49 67.843 -3.792 3.181 1.00 1.00 C ATOM 582 C LYS A 49 67.614 -3.322 1.759 1.00 1.00 C ATOM 583 O LYS A 49 68.099 -3.923 0.801 1.00 1.00 O ATOM 584 CB LYS A 49 66.630 -4.579 3.709 1.00 1.00 C ATOM 585 CG LYS A 49 66.053 -5.553 2.656 1.00 1.00 C ATOM 586 CD LYS A 49 67.108 -6.610 2.249 1.00 1.00 C ATOM 587 CE LYS A 49 66.456 -7.817 1.522 1.00 1.00 C ATOM 588 NZ LYS A 49 65.127 -8.121 2.120 1.00 1.00 N ATOM 0 H LYS A 49 67.390 -2.523 4.793 1.00 1.00 H new ATOM 0 HA LYS A 49 68.716 -4.445 3.164 1.00 1.00 H new ATOM 0 HB2 LYS A 49 66.923 -5.140 4.596 1.00 1.00 H new ATOM 0 HB3 LYS A 49 65.853 -3.879 4.017 1.00 1.00 H new ATOM 0 HG2 LYS A 49 65.170 -6.050 3.059 1.00 1.00 H new ATOM 0 HG3 LYS A 49 65.732 -4.996 1.776 1.00 1.00 H new ATOM 0 HD2 LYS A 49 67.852 -6.151 1.598 1.00 1.00 H new ATOM 0 HD3 LYS A 49 67.634 -6.960 3.137 1.00 1.00 H new ATOM 0 HE2 LYS A 49 66.343 -7.594 0.461 1.00 1.00 H new ATOM 0 HE3 LYS A 49 67.105 -8.690 1.597 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 64.853 -9.095 1.881 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 65.180 -8.020 3.154 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 64.418 -7.460 1.744 1.00 1.00 H new ATOM 602 N TYR A 50 66.866 -2.255 1.640 1.00 1.00 N ATOM 603 CA TYR A 50 66.545 -1.691 0.349 1.00 1.00 C ATOM 604 C TYR A 50 67.814 -1.290 -0.398 1.00 1.00 C ATOM 605 O TYR A 50 67.990 -1.634 -1.567 1.00 1.00 O ATOM 606 CB TYR A 50 65.663 -0.482 0.613 1.00 1.00 C ATOM 607 CG TYR A 50 65.333 0.254 -0.664 1.00 1.00 C ATOM 608 CD1 TYR A 50 64.537 -0.357 -1.639 1.00 1.00 C ATOM 609 CD2 TYR A 50 65.803 1.559 -0.861 1.00 1.00 C ATOM 610 CE1 TYR A 50 64.212 0.334 -2.812 1.00 1.00 C ATOM 611 CE2 TYR A 50 65.480 2.249 -2.036 1.00 1.00 C ATOM 612 CZ TYR A 50 64.683 1.637 -3.011 1.00 1.00 C ATOM 613 OH TYR A 50 64.362 2.318 -4.167 1.00 1.00 O ATOM 0 H TYR A 50 66.462 -1.752 2.431 1.00 1.00 H new ATOM 0 HA TYR A 50 66.030 -2.418 -0.279 1.00 1.00 H new ATOM 0 HB2 TYR A 50 64.741 -0.802 1.098 1.00 1.00 H new ATOM 0 HB3 TYR A 50 66.168 0.194 1.303 1.00 1.00 H new ATOM 0 HD1 TYR A 50 64.173 -1.362 -1.486 1.00 1.00 H new ATOM 0 HD2 TYR A 50 66.414 2.033 -0.107 1.00 1.00 H new ATOM 0 HE1 TYR A 50 63.597 -0.138 -3.564 1.00 1.00 H new ATOM 0 HE2 TYR A 50 65.846 3.253 -2.190 1.00 1.00 H new ATOM 0 HH TYR A 50 64.301 3.277 -3.975 1.00 1.00 H new ATOM 623 N SER A 51 68.694 -0.573 0.284 1.00 1.00 N ATOM 624 CA SER A 51 69.951 -0.140 -0.318 1.00 1.00 C ATOM 625 C SER A 51 70.923 -1.313 -0.494 1.00 1.00 C ATOM 626 O SER A 51 71.626 -1.402 -1.500 1.00 1.00 O ATOM 627 CB SER A 51 70.601 0.938 0.556 1.00 1.00 C ATOM 628 OG SER A 51 71.534 1.673 -0.225 1.00 1.00 O ATOM 0 H SER A 51 68.564 -0.278 1.252 1.00 1.00 H new ATOM 0 HA SER A 51 69.728 0.267 -1.304 1.00 1.00 H new ATOM 0 HB2 SER A 51 69.839 1.606 0.958 1.00 1.00 H new ATOM 0 HB3 SER A 51 71.103 0.479 1.407 1.00 1.00 H new ATOM 0 HG SER A 51 71.951 2.365 0.329 1.00 1.00 H new ATOM 634 N ASN A 52 70.991 -2.184 0.512 1.00 1.00 N ATOM 635 CA ASN A 52 71.923 -3.314 0.480 1.00 1.00 C ATOM 636 C ASN A 52 71.452 -4.470 -0.392 1.00 1.00 C ATOM 637 O ASN A 52 72.090 -4.785 -1.396 1.00 1.00 O ATOM 638 CB ASN A 52 72.139 -3.832 1.902 1.00 1.00 C ATOM 639 CG ASN A 52 72.930 -2.805 2.701 1.00 1.00 C ATOM 640 OD1 ASN A 52 72.636 -1.611 2.636 1.00 1.00 O ATOM 641 ND2 ASN A 52 73.929 -3.193 3.446 1.00 1.00 N ATOM 0 H ASN A 52 70.417 -2.131 1.354 1.00 1.00 H new ATOM 0 HA ASN A 52 72.848 -2.938 0.044 1.00 1.00 H new ATOM 0 HB2 ASN A 52 71.179 -4.021 2.382 1.00 1.00 H new ATOM 0 HB3 ASN A 52 72.675 -4.781 1.877 1.00 1.00 H new ATOM 0 HD21 ASN A 52 74.467 -2.507 3.975 1.00 1.00 H new ATOM 0 HD22 ASN A 52 74.172 -4.182 3.499 1.00 1.00 H new ATOM 648 N SER A 53 70.359 -5.126 0.003 1.00 1.00 N ATOM 649 CA SER A 53 69.850 -6.277 -0.748 1.00 1.00 C ATOM 650 C SER A 53 68.543 -5.926 -1.461 1.00 1.00 C ATOM 651 O SER A 53 67.504 -6.546 -1.253 1.00 1.00 O ATOM 652 CB SER A 53 69.684 -7.480 0.204 1.00 1.00 C ATOM 653 OG SER A 53 70.617 -8.486 -0.168 1.00 1.00 O ATOM 0 H SER A 53 69.813 -4.884 0.830 1.00 1.00 H new ATOM 0 HA SER A 53 70.567 -6.551 -1.522 1.00 1.00 H new ATOM 0 HB2 SER A 53 69.852 -7.172 1.236 1.00 1.00 H new ATOM 0 HB3 SER A 53 68.667 -7.868 0.149 1.00 1.00 H new ATOM 0 HG SER A 53 70.523 -9.256 0.431 1.00 1.00 H new ATOM 659 N ALA A 54 68.622 -4.939 -2.332 1.00 1.00 N ATOM 660 CA ALA A 54 67.462 -4.529 -3.101 1.00 1.00 C ATOM 661 C ALA A 54 66.896 -5.738 -3.835 1.00 1.00 C ATOM 662 O ALA A 54 65.726 -5.759 -4.221 1.00 1.00 O ATOM 663 CB ALA A 54 67.844 -3.447 -4.105 1.00 1.00 C ATOM 0 H ALA A 54 69.472 -4.408 -2.525 1.00 1.00 H new ATOM 0 HA ALA A 54 66.710 -4.123 -2.425 1.00 1.00 H new ATOM 0 HB1 ALA A 54 66.963 -3.151 -4.674 1.00 1.00 H new ATOM 0 HB2 ALA A 54 68.241 -2.582 -3.574 1.00 1.00 H new ATOM 0 HB3 ALA A 54 68.602 -3.834 -4.786 1.00 1.00 H new ATOM 669 N LEU A 55 67.762 -6.727 -4.049 1.00 1.00 N ATOM 670 CA LEU A 55 67.382 -7.943 -4.774 1.00 1.00 C ATOM 671 C LEU A 55 66.709 -8.968 -3.853 1.00 1.00 C ATOM 672 O LEU A 55 66.124 -9.943 -4.325 1.00 1.00 O ATOM 673 CB LEU A 55 68.630 -8.581 -5.414 1.00 1.00 C ATOM 674 CG LEU A 55 69.206 -7.656 -6.517 1.00 1.00 C ATOM 675 CD1 LEU A 55 70.149 -6.613 -5.903 1.00 1.00 C ATOM 676 CD2 LEU A 55 69.994 -8.482 -7.547 1.00 1.00 C ATOM 0 H LEU A 55 68.731 -6.712 -3.732 1.00 1.00 H new ATOM 0 HA LEU A 55 66.667 -7.656 -5.545 1.00 1.00 H new ATOM 0 HB2 LEU A 55 69.386 -8.761 -4.650 1.00 1.00 H new ATOM 0 HB3 LEU A 55 68.372 -9.550 -5.841 1.00 1.00 H new ATOM 0 HG LEU A 55 68.371 -7.154 -7.005 1.00 1.00 H new ATOM 0 HD11 LEU A 55 70.545 -5.972 -6.691 1.00 1.00 H new ATOM 0 HD12 LEU A 55 69.601 -6.006 -5.182 1.00 1.00 H new ATOM 0 HD13 LEU A 55 70.973 -7.119 -5.399 1.00 1.00 H new ATOM 0 HD21 LEU A 55 70.393 -7.820 -8.316 1.00 1.00 H new ATOM 0 HD22 LEU A 55 70.816 -8.996 -7.049 1.00 1.00 H new ATOM 0 HD23 LEU A 55 69.333 -9.216 -8.008 1.00 1.00 H new ATOM 688 N GLY A 56 66.803 -8.753 -2.544 1.00 1.00 N ATOM 689 CA GLY A 56 66.207 -9.682 -1.575 1.00 1.00 C ATOM 690 C GLY A 56 64.767 -9.305 -1.228 1.00 1.00 C ATOM 691 O GLY A 56 63.970 -10.160 -0.841 1.00 1.00 O ATOM 0 H GLY A 56 67.280 -7.953 -2.128 1.00 1.00 H new ATOM 0 HA2 GLY A 56 66.229 -10.693 -1.982 1.00 1.00 H new ATOM 0 HA3 GLY A 56 66.808 -9.692 -0.666 1.00 1.00 H new ATOM 695 N HIS A 57 64.435 -8.027 -1.359 1.00 1.00 N ATOM 696 CA HIS A 57 63.083 -7.545 -1.044 1.00 1.00 C ATOM 697 C HIS A 57 62.221 -7.485 -2.308 1.00 1.00 C ATOM 698 O HIS A 57 60.993 -7.495 -2.221 1.00 1.00 O ATOM 699 CB HIS A 57 63.196 -6.141 -0.385 1.00 1.00 C ATOM 700 CG HIS A 57 62.141 -5.187 -0.905 1.00 1.00 C ATOM 701 ND1 HIS A 57 60.788 -5.433 -0.739 1.00 1.00 N ATOM 702 CD2 HIS A 57 62.227 -4.011 -1.615 1.00 1.00 C ATOM 703 CE1 HIS A 57 60.116 -4.433 -1.338 1.00 1.00 C ATOM 704 NE2 HIS A 57 60.945 -3.540 -1.888 1.00 1.00 N ATOM 0 H HIS A 57 65.077 -7.302 -1.680 1.00 1.00 H new ATOM 0 HA HIS A 57 62.600 -8.235 -0.352 1.00 1.00 H new ATOM 0 HB2 HIS A 57 63.096 -6.238 0.696 1.00 1.00 H new ATOM 0 HB3 HIS A 57 64.186 -5.728 -0.578 1.00 1.00 H new ATOM 0 HD1 HIS A 57 60.376 -6.228 -0.251 1.00 1.00 H new ATOM 0 HD2 HIS A 57 63.146 -3.528 -1.914 1.00 1.00 H new ATOM 0 HE1 HIS A 57 59.039 -4.361 -1.370 1.00 1.00 H new ATOM 712 N VAL A 58 62.861 -7.361 -3.460 1.00 1.00 N ATOM 713 CA VAL A 58 62.116 -7.231 -4.702 1.00 1.00 C ATOM 714 C VAL A 58 61.278 -8.468 -5.040 1.00 1.00 C ATOM 715 O VAL A 58 60.066 -8.346 -5.217 1.00 1.00 O ATOM 716 CB VAL A 58 63.078 -6.890 -5.848 1.00 1.00 C ATOM 717 CG1 VAL A 58 63.835 -8.136 -6.306 1.00 1.00 C ATOM 718 CG2 VAL A 58 62.286 -6.309 -7.017 1.00 1.00 C ATOM 0 H VAL A 58 63.876 -7.348 -3.561 1.00 1.00 H new ATOM 0 HA VAL A 58 61.403 -6.418 -4.566 1.00 1.00 H new ATOM 0 HB VAL A 58 63.803 -6.158 -5.493 1.00 1.00 H new ATOM 0 HG11 VAL A 58 64.512 -7.872 -7.119 1.00 1.00 H new ATOM 0 HG12 VAL A 58 64.409 -8.540 -5.472 1.00 1.00 H new ATOM 0 HG13 VAL A 58 63.125 -8.886 -6.654 1.00 1.00 H new ATOM 0 HG21 VAL A 58 62.967 -6.066 -7.833 1.00 1.00 H new ATOM 0 HG22 VAL A 58 61.555 -7.041 -7.361 1.00 1.00 H new ATOM 0 HG23 VAL A 58 61.770 -5.405 -6.693 1.00 1.00 H new ATOM 728 N ASN A 59 61.892 -9.650 -5.150 1.00 1.00 N ATOM 729 CA ASN A 59 61.118 -10.842 -5.487 1.00 1.00 C ATOM 730 C ASN A 59 60.255 -11.306 -4.333 1.00 1.00 C ATOM 731 O ASN A 59 59.115 -11.728 -4.532 1.00 1.00 O ATOM 732 CB ASN A 59 62.000 -11.995 -5.939 1.00 1.00 C ATOM 733 CG ASN A 59 63.079 -12.279 -4.898 1.00 1.00 C ATOM 734 OD1 ASN A 59 63.238 -11.518 -3.944 1.00 1.00 O ATOM 735 ND2 ASN A 59 63.835 -13.336 -5.028 1.00 1.00 N ATOM 0 H ASN A 59 62.891 -9.803 -5.015 1.00 1.00 H new ATOM 0 HA ASN A 59 60.475 -10.546 -6.316 1.00 1.00 H new ATOM 0 HB2 ASN A 59 61.393 -12.886 -6.095 1.00 1.00 H new ATOM 0 HB3 ASN A 59 62.463 -11.754 -6.896 1.00 1.00 H new ATOM 0 HD21 ASN A 59 64.560 -13.533 -4.338 1.00 1.00 H new ATOM 0 HD22 ASN A 59 63.701 -13.965 -5.820 1.00 1.00 H new ATOM 742 N SER A 60 60.795 -11.235 -3.124 1.00 1.00 N ATOM 743 CA SER A 60 60.044 -11.668 -1.960 1.00 1.00 C ATOM 744 C SER A 60 58.678 -11.012 -1.989 1.00 1.00 C ATOM 745 O SER A 60 57.671 -11.617 -1.649 1.00 1.00 O ATOM 746 CB SER A 60 60.777 -11.281 -0.675 1.00 1.00 C ATOM 747 OG SER A 60 59.885 -11.398 0.426 1.00 1.00 O ATOM 0 H SER A 60 61.734 -10.888 -2.928 1.00 1.00 H new ATOM 0 HA SER A 60 59.939 -12.753 -1.981 1.00 1.00 H new ATOM 0 HB2 SER A 60 61.642 -11.927 -0.527 1.00 1.00 H new ATOM 0 HB3 SER A 60 61.150 -10.260 -0.749 1.00 1.00 H new ATOM 0 HG SER A 60 60.351 -11.152 1.252 1.00 1.00 H new ATOM 753 N THR A 61 58.654 -9.768 -2.425 1.00 1.00 N ATOM 754 CA THR A 61 57.403 -9.045 -2.514 1.00 1.00 C ATOM 755 C THR A 61 56.456 -9.710 -3.512 1.00 1.00 C ATOM 756 O THR A 61 55.279 -9.901 -3.220 1.00 1.00 O ATOM 757 CB THR A 61 57.673 -7.600 -2.938 1.00 1.00 C ATOM 758 OG1 THR A 61 58.652 -7.032 -2.080 1.00 1.00 O ATOM 759 CG2 THR A 61 56.382 -6.782 -2.861 1.00 1.00 C ATOM 0 H THR A 61 59.477 -9.242 -2.720 1.00 1.00 H new ATOM 0 HA THR A 61 56.928 -9.056 -1.533 1.00 1.00 H new ATOM 0 HB THR A 61 58.038 -7.589 -3.965 1.00 1.00 H new ATOM 0 HG1 THR A 61 59.537 -7.114 -2.493 1.00 1.00 H new ATOM 0 HG21 THR A 61 56.584 -5.755 -3.165 1.00 1.00 H new ATOM 0 HG22 THR A 61 55.636 -7.217 -3.526 1.00 1.00 H new ATOM 0 HG23 THR A 61 56.006 -6.791 -1.838 1.00 1.00 H new ATOM 767 N ILE A 62 56.966 -10.042 -4.693 1.00 1.00 N ATOM 768 CA ILE A 62 56.127 -10.660 -5.717 1.00 1.00 C ATOM 769 C ILE A 62 55.743 -12.085 -5.335 1.00 1.00 C ATOM 770 O ILE A 62 54.759 -12.620 -5.836 1.00 1.00 O ATOM 771 CB ILE A 62 56.828 -10.657 -7.078 1.00 1.00 C ATOM 772 CG1 ILE A 62 57.598 -9.340 -7.254 1.00 1.00 C ATOM 773 CG2 ILE A 62 55.795 -10.796 -8.204 1.00 1.00 C ATOM 774 CD1 ILE A 62 56.684 -8.147 -7.039 1.00 1.00 C ATOM 0 H ILE A 62 57.939 -9.898 -4.964 1.00 1.00 H new ATOM 0 HA ILE A 62 55.217 -10.065 -5.790 1.00 1.00 H new ATOM 0 HB ILE A 62 57.520 -11.498 -7.123 1.00 1.00 H new ATOM 0 HG12 ILE A 62 58.427 -9.301 -6.547 1.00 1.00 H new ATOM 0 HG13 ILE A 62 58.030 -9.297 -8.254 1.00 1.00 H new ATOM 0 HG21 ILE A 62 56.304 -10.793 -9.168 1.00 1.00 H new ATOM 0 HG22 ILE A 62 55.250 -11.733 -8.085 1.00 1.00 H new ATOM 0 HG23 ILE A 62 55.095 -9.961 -8.161 1.00 1.00 H new ATOM 0 HD11 ILE A 62 57.252 -7.226 -7.169 1.00 1.00 H new ATOM 0 HD12 ILE A 62 55.870 -8.177 -7.763 1.00 1.00 H new ATOM 0 HD13 ILE A 62 56.273 -8.181 -6.030 1.00 1.00 H new ATOM 786 N LYS A 63 56.537 -12.711 -4.480 1.00 1.00 N ATOM 787 CA LYS A 63 56.255 -14.081 -4.065 1.00 1.00 C ATOM 788 C LYS A 63 55.062 -14.185 -3.077 1.00 1.00 C ATOM 789 O LYS A 63 54.095 -14.904 -3.325 1.00 1.00 O ATOM 790 CB LYS A 63 57.519 -14.696 -3.420 1.00 1.00 C ATOM 791 CG LYS A 63 58.531 -15.048 -4.515 1.00 1.00 C ATOM 792 CD LYS A 63 59.786 -15.643 -3.875 1.00 1.00 C ATOM 793 CE LYS A 63 60.785 -16.022 -4.968 1.00 1.00 C ATOM 794 NZ LYS A 63 62.018 -16.575 -4.340 1.00 1.00 N ATOM 0 H LYS A 63 57.372 -12.301 -4.063 1.00 1.00 H new ATOM 0 HA LYS A 63 55.973 -14.634 -4.961 1.00 1.00 H new ATOM 0 HB2 LYS A 63 57.960 -13.991 -2.715 1.00 1.00 H new ATOM 0 HB3 LYS A 63 57.254 -15.589 -2.854 1.00 1.00 H new ATOM 0 HG2 LYS A 63 58.093 -15.760 -5.214 1.00 1.00 H new ATOM 0 HG3 LYS A 63 58.789 -14.157 -5.087 1.00 1.00 H new ATOM 0 HD2 LYS A 63 60.235 -14.923 -3.191 1.00 1.00 H new ATOM 0 HD3 LYS A 63 59.525 -16.522 -3.286 1.00 1.00 H new ATOM 0 HE2 LYS A 63 60.344 -16.758 -5.640 1.00 1.00 H new ATOM 0 HE3 LYS A 63 61.031 -15.148 -5.571 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 62.699 -16.834 -5.082 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 62.441 -15.859 -3.716 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 61.775 -17.419 -3.783 1.00 1.00 H new ATOM 808 N GLU A 64 55.198 -13.508 -1.927 1.00 1.00 N ATOM 809 CA GLU A 64 54.198 -13.548 -0.829 1.00 1.00 C ATOM 810 C GLU A 64 52.942 -12.670 -1.036 1.00 1.00 C ATOM 811 O GLU A 64 51.936 -12.914 -0.381 1.00 1.00 O ATOM 812 CB GLU A 64 54.870 -13.179 0.507 1.00 1.00 C ATOM 813 CG GLU A 64 56.308 -13.686 0.528 1.00 1.00 C ATOM 814 CD GLU A 64 56.339 -15.198 0.331 1.00 1.00 C ATOM 815 OE1 GLU A 64 55.325 -15.828 0.583 1.00 1.00 O ATOM 816 OE2 GLU A 64 57.371 -15.703 -0.080 1.00 1.00 O ATOM 0 H GLU A 64 56.002 -12.914 -1.724 1.00 1.00 H new ATOM 0 HA GLU A 64 53.832 -14.575 -0.822 1.00 1.00 H new ATOM 0 HB2 GLU A 64 54.855 -12.098 0.644 1.00 1.00 H new ATOM 0 HB3 GLU A 64 54.311 -13.613 1.336 1.00 1.00 H new ATOM 0 HG2 GLU A 64 56.884 -13.198 -0.258 1.00 1.00 H new ATOM 0 HG3 GLU A 64 56.779 -13.426 1.476 1.00 1.00 H new ATOM 823 N LEU A 65 53.009 -11.616 -1.857 1.00 1.00 N ATOM 824 CA LEU A 65 51.851 -10.703 -2.022 1.00 1.00 C ATOM 825 C LEU A 65 50.499 -11.435 -2.018 1.00 1.00 C ATOM 826 O LEU A 65 49.460 -10.810 -1.803 1.00 1.00 O ATOM 827 CB LEU A 65 52.003 -9.824 -3.288 1.00 1.00 C ATOM 828 CG LEU A 65 51.740 -10.613 -4.581 1.00 1.00 C ATOM 829 CD1 LEU A 65 52.502 -11.931 -4.521 1.00 1.00 C ATOM 830 CD2 LEU A 65 50.231 -10.872 -4.791 1.00 1.00 C ATOM 0 H LEU A 65 53.829 -11.369 -2.411 1.00 1.00 H new ATOM 0 HA LEU A 65 51.852 -10.052 -1.148 1.00 1.00 H new ATOM 0 HB2 LEU A 65 51.310 -8.984 -3.230 1.00 1.00 H new ATOM 0 HB3 LEU A 65 53.009 -9.406 -3.319 1.00 1.00 H new ATOM 0 HG LEU A 65 52.087 -10.022 -5.428 1.00 1.00 H new ATOM 0 HD11 LEU A 65 52.321 -12.498 -5.434 1.00 1.00 H new ATOM 0 HD12 LEU A 65 53.569 -11.730 -4.424 1.00 1.00 H new ATOM 0 HD13 LEU A 65 52.162 -12.509 -3.662 1.00 1.00 H new ATOM 0 HD21 LEU A 65 50.083 -11.432 -5.714 1.00 1.00 H new ATOM 0 HD22 LEU A 65 49.840 -11.447 -3.951 1.00 1.00 H new ATOM 0 HD23 LEU A 65 49.704 -9.920 -4.855 1.00 1.00 H new ATOM 842 N ARG A 66 50.509 -12.749 -2.235 1.00 1.00 N ATOM 843 CA ARG A 66 49.279 -13.533 -2.229 1.00 1.00 C ATOM 844 C ARG A 66 48.723 -13.597 -0.810 1.00 1.00 C ATOM 845 O ARG A 66 47.514 -13.632 -0.586 1.00 1.00 O ATOM 846 CB ARG A 66 49.558 -14.963 -2.730 1.00 1.00 C ATOM 847 CG ARG A 66 50.626 -14.939 -3.832 1.00 1.00 C ATOM 848 CD ARG A 66 50.644 -16.285 -4.559 1.00 1.00 C ATOM 849 NE ARG A 66 51.074 -17.345 -3.652 1.00 1.00 N ATOM 850 CZ ARG A 66 51.030 -18.621 -4.017 1.00 1.00 C ATOM 851 NH1 ARG A 66 50.596 -18.948 -5.204 1.00 1.00 N ATOM 852 NH2 ARG A 66 51.421 -19.550 -3.188 1.00 1.00 N ATOM 0 H ARG A 66 51.354 -13.291 -2.417 1.00 1.00 H new ATOM 0 HA ARG A 66 48.554 -13.058 -2.889 1.00 1.00 H new ATOM 0 HB2 ARG A 66 49.893 -15.587 -1.902 1.00 1.00 H new ATOM 0 HB3 ARG A 66 48.640 -15.408 -3.113 1.00 1.00 H new ATOM 0 HG2 ARG A 66 50.416 -14.136 -4.538 1.00 1.00 H new ATOM 0 HG3 ARG A 66 51.605 -14.735 -3.399 1.00 1.00 H new ATOM 0 HD2 ARG A 66 49.650 -16.510 -4.947 1.00 1.00 H new ATOM 0 HD3 ARG A 66 51.317 -16.235 -5.415 1.00 1.00 H new ATOM 0 HE ARG A 66 51.414 -17.101 -2.722 1.00 1.00 H new ATOM 0 HH11 ARG A 66 50.290 -18.223 -5.853 1.00 1.00 H new ATOM 0 HH12 ARG A 66 50.563 -19.929 -5.483 1.00 1.00 H new ATOM 0 HH21 ARG A 66 51.760 -19.296 -2.260 1.00 1.00 H new ATOM 0 HH22 ARG A 66 51.387 -20.530 -3.468 1.00 1.00 H new ATOM 866 N ARG A 67 49.652 -13.643 0.126 1.00 1.00 N ATOM 867 CA ARG A 67 49.347 -13.743 1.548 1.00 1.00 C ATOM 868 C ARG A 67 48.865 -12.408 2.117 1.00 1.00 C ATOM 869 O ARG A 67 48.156 -12.381 3.119 1.00 1.00 O ATOM 870 CB ARG A 67 50.620 -14.204 2.283 1.00 1.00 C ATOM 871 CG ARG A 67 50.667 -15.741 2.404 1.00 1.00 C ATOM 872 CD ARG A 67 50.670 -16.396 1.015 1.00 1.00 C ATOM 873 NE ARG A 67 50.818 -17.847 1.135 1.00 1.00 N ATOM 874 CZ ARG A 67 50.347 -18.666 0.196 1.00 1.00 C ATOM 875 NH1 ARG A 67 49.730 -18.180 -0.848 1.00 1.00 N ATOM 876 NH2 ARG A 67 50.503 -19.956 0.314 1.00 1.00 N ATOM 0 H ARG A 67 50.651 -13.612 -0.078 1.00 1.00 H new ATOM 0 HA ARG A 67 48.540 -14.462 1.689 1.00 1.00 H new ATOM 0 HB2 ARG A 67 51.501 -13.851 1.747 1.00 1.00 H new ATOM 0 HB3 ARG A 67 50.652 -13.757 3.277 1.00 1.00 H new ATOM 0 HG2 ARG A 67 51.559 -16.040 2.954 1.00 1.00 H new ATOM 0 HG3 ARG A 67 49.808 -16.092 2.975 1.00 1.00 H new ATOM 0 HD2 ARG A 67 49.742 -16.161 0.493 1.00 1.00 H new ATOM 0 HD3 ARG A 67 51.485 -15.989 0.416 1.00 1.00 H new ATOM 0 HE ARG A 67 51.289 -18.237 1.951 1.00 1.00 H new ATOM 0 HH11 ARG A 67 49.608 -17.172 -0.945 1.00 1.00 H new ATOM 0 HH12 ARG A 67 49.370 -18.809 -1.566 1.00 1.00 H new ATOM 0 HH21 ARG A 67 50.986 -20.339 1.126 1.00 1.00 H new ATOM 0 HH22 ARG A 67 50.142 -20.581 -0.406 1.00 1.00 H new ATOM 890 N LEU A 68 49.274 -11.307 1.504 1.00 1.00 N ATOM 891 CA LEU A 68 48.890 -9.990 2.013 1.00 1.00 C ATOM 892 C LEU A 68 47.381 -9.821 2.019 1.00 1.00 C ATOM 893 O LEU A 68 46.808 -9.304 2.978 1.00 1.00 O ATOM 894 CB LEU A 68 49.518 -8.873 1.160 1.00 1.00 C ATOM 895 CG LEU A 68 49.171 -7.491 1.740 1.00 1.00 C ATOM 896 CD1 LEU A 68 49.737 -7.352 3.165 1.00 1.00 C ATOM 897 CD2 LEU A 68 49.773 -6.407 0.838 1.00 1.00 C ATOM 0 H LEU A 68 49.860 -11.293 0.669 1.00 1.00 H new ATOM 0 HA LEU A 68 49.258 -9.918 3.036 1.00 1.00 H new ATOM 0 HB2 LEU A 68 50.600 -8.998 1.126 1.00 1.00 H new ATOM 0 HB3 LEU A 68 49.157 -8.944 0.134 1.00 1.00 H new ATOM 0 HG LEU A 68 48.088 -7.380 1.784 1.00 1.00 H new ATOM 0 HD11 LEU A 68 49.484 -6.369 3.563 1.00 1.00 H new ATOM 0 HD12 LEU A 68 49.308 -8.124 3.804 1.00 1.00 H new ATOM 0 HD13 LEU A 68 50.821 -7.464 3.139 1.00 1.00 H new ATOM 0 HD21 LEU A 68 49.532 -5.423 1.241 1.00 1.00 H new ATOM 0 HD22 LEU A 68 50.856 -6.527 0.797 1.00 1.00 H new ATOM 0 HD23 LEU A 68 49.360 -6.499 -0.166 1.00 1.00 H new ATOM 909 N PHE A 69 46.747 -10.244 0.945 1.00 1.00 N ATOM 910 CA PHE A 69 45.303 -10.118 0.836 1.00 1.00 C ATOM 911 C PHE A 69 44.596 -11.093 1.769 1.00 1.00 C ATOM 912 O PHE A 69 43.580 -10.753 2.375 1.00 1.00 O ATOM 913 CB PHE A 69 44.869 -10.342 -0.614 1.00 1.00 C ATOM 914 CG PHE A 69 45.812 -9.602 -1.554 1.00 1.00 C ATOM 915 CD1 PHE A 69 46.283 -8.312 -1.240 1.00 1.00 C ATOM 916 CD2 PHE A 69 46.212 -10.214 -2.751 1.00 1.00 C ATOM 917 CE1 PHE A 69 47.145 -7.647 -2.116 1.00 1.00 C ATOM 918 CE2 PHE A 69 47.073 -9.549 -3.634 1.00 1.00 C ATOM 919 CZ PHE A 69 47.543 -8.260 -3.316 1.00 1.00 C ATOM 0 H PHE A 69 47.201 -10.675 0.140 1.00 1.00 H new ATOM 0 HA PHE A 69 45.019 -9.109 1.137 1.00 1.00 H new ATOM 0 HB2 PHE A 69 44.873 -11.407 -0.844 1.00 1.00 H new ATOM 0 HB3 PHE A 69 43.848 -9.989 -0.756 1.00 1.00 H new ATOM 0 HD1 PHE A 69 45.977 -7.836 -0.320 1.00 1.00 H new ATOM 0 HD2 PHE A 69 45.854 -11.204 -2.994 1.00 1.00 H new ATOM 0 HE1 PHE A 69 47.506 -6.659 -1.870 1.00 1.00 H new ATOM 0 HE2 PHE A 69 47.375 -10.024 -4.556 1.00 1.00 H new ATOM 0 HZ PHE A 69 48.208 -7.744 -3.993 1.00 1.00 H new ATOM 929 N LEU A 70 45.129 -12.301 1.886 1.00 1.00 N ATOM 930 CA LEU A 70 44.521 -13.299 2.757 1.00 1.00 C ATOM 931 C LEU A 70 44.553 -12.843 4.213 1.00 1.00 C ATOM 932 O LEU A 70 43.573 -12.995 4.942 1.00 1.00 O ATOM 933 CB LEU A 70 45.258 -14.635 2.620 1.00 1.00 C ATOM 934 CG LEU A 70 45.002 -15.243 1.231 1.00 1.00 C ATOM 935 CD1 LEU A 70 45.923 -16.452 1.034 1.00 1.00 C ATOM 936 CD2 LEU A 70 43.529 -15.683 1.093 1.00 1.00 C ATOM 0 H LEU A 70 45.969 -12.612 1.397 1.00 1.00 H new ATOM 0 HA LEU A 70 43.481 -13.425 2.455 1.00 1.00 H new ATOM 0 HB2 LEU A 70 46.328 -14.485 2.768 1.00 1.00 H new ATOM 0 HB3 LEU A 70 44.922 -15.325 3.394 1.00 1.00 H new ATOM 0 HG LEU A 70 45.209 -14.490 0.471 1.00 1.00 H new ATOM 0 HD11 LEU A 70 45.746 -16.888 0.051 1.00 1.00 H new ATOM 0 HD12 LEU A 70 46.963 -16.133 1.108 1.00 1.00 H new ATOM 0 HD13 LEU A 70 45.716 -17.196 1.803 1.00 1.00 H new ATOM 0 HD21 LEU A 70 43.368 -16.111 0.103 1.00 1.00 H new ATOM 0 HD22 LEU A 70 43.300 -16.430 1.853 1.00 1.00 H new ATOM 0 HD23 LEU A 70 42.877 -14.819 1.225 1.00 1.00 H new ATOM 948 N VAL A 71 45.689 -12.286 4.638 1.00 1.00 N ATOM 949 CA VAL A 71 45.835 -11.814 6.021 1.00 1.00 C ATOM 950 C VAL A 71 45.318 -10.382 6.173 1.00 1.00 C ATOM 951 O VAL A 71 45.025 -9.939 7.283 1.00 1.00 O ATOM 952 CB VAL A 71 47.307 -11.913 6.482 1.00 1.00 C ATOM 953 CG1 VAL A 71 48.161 -10.783 5.884 1.00 1.00 C ATOM 954 CG2 VAL A 71 47.364 -11.818 8.009 1.00 1.00 C ATOM 0 H VAL A 71 46.514 -12.151 4.054 1.00 1.00 H new ATOM 0 HA VAL A 71 45.231 -12.459 6.659 1.00 1.00 H new ATOM 0 HB VAL A 71 47.706 -12.867 6.138 1.00 1.00 H new ATOM 0 HG11 VAL A 71 49.190 -10.883 6.229 1.00 1.00 H new ATOM 0 HG12 VAL A 71 48.135 -10.844 4.796 1.00 1.00 H new ATOM 0 HG13 VAL A 71 47.764 -9.819 6.203 1.00 1.00 H new ATOM 0 HG21 VAL A 71 48.400 -11.887 8.339 1.00 1.00 H new ATOM 0 HG22 VAL A 71 46.944 -10.865 8.330 1.00 1.00 H new ATOM 0 HG23 VAL A 71 46.788 -12.634 8.446 1.00 1.00 H new ATOM 964 N ASP A 72 45.200 -9.665 5.057 1.00 1.00 N ATOM 965 CA ASP A 72 44.707 -8.289 5.091 1.00 1.00 C ATOM 966 C ASP A 72 45.355 -7.501 6.230 1.00 1.00 C ATOM 967 O ASP A 72 44.662 -6.890 7.045 1.00 1.00 O ATOM 968 CB ASP A 72 43.187 -8.289 5.266 1.00 1.00 C ATOM 969 CG ASP A 72 42.627 -6.898 4.987 1.00 1.00 C ATOM 970 OD1 ASP A 72 43.397 -5.953 5.016 1.00 1.00 O ATOM 971 OD2 ASP A 72 41.435 -6.800 4.747 1.00 1.00 O ATOM 0 H ASP A 72 45.436 -10.009 4.126 1.00 1.00 H new ATOM 0 HA ASP A 72 44.969 -7.809 4.148 1.00 1.00 H new ATOM 0 HB2 ASP A 72 42.735 -9.014 4.589 1.00 1.00 H new ATOM 0 HB3 ASP A 72 42.930 -8.596 6.280 1.00 1.00 H new ATOM 976 N ASP A 73 46.688 -7.520 6.283 1.00 1.00 N ATOM 977 CA ASP A 73 47.432 -6.805 7.329 1.00 1.00 C ATOM 978 C ASP A 73 48.288 -5.698 6.718 1.00 1.00 C ATOM 979 O ASP A 73 49.274 -5.262 7.314 1.00 1.00 O ATOM 980 CB ASP A 73 48.331 -7.785 8.087 1.00 1.00 C ATOM 981 CG ASP A 73 48.858 -7.130 9.359 1.00 1.00 C ATOM 982 OD1 ASP A 73 48.075 -6.951 10.277 1.00 1.00 O ATOM 983 OD2 ASP A 73 50.035 -6.812 9.394 1.00 1.00 O ATOM 0 H ASP A 73 47.276 -8.021 5.617 1.00 1.00 H new ATOM 0 HA ASP A 73 46.716 -6.356 8.018 1.00 1.00 H new ATOM 0 HB2 ASP A 73 47.771 -8.686 8.337 1.00 1.00 H new ATOM 0 HB3 ASP A 73 49.164 -8.092 7.454 1.00 1.00 H new ATOM 988 N LEU A 74 47.907 -5.251 5.527 1.00 1.00 N ATOM 989 CA LEU A 74 48.647 -4.198 4.838 1.00 1.00 C ATOM 990 C LEU A 74 48.547 -2.868 5.592 1.00 1.00 C ATOM 991 O LEU A 74 49.481 -2.069 5.575 1.00 1.00 O ATOM 992 CB LEU A 74 48.137 -4.060 3.381 1.00 1.00 C ATOM 993 CG LEU A 74 46.821 -3.232 3.312 1.00 1.00 C ATOM 994 CD1 LEU A 74 47.118 -1.771 2.934 1.00 1.00 C ATOM 995 CD2 LEU A 74 45.886 -3.826 2.245 1.00 1.00 C ATOM 0 H LEU A 74 47.094 -5.599 5.019 1.00 1.00 H new ATOM 0 HA LEU A 74 49.701 -4.474 4.810 1.00 1.00 H new ATOM 0 HB2 LEU A 74 48.902 -3.580 2.771 1.00 1.00 H new ATOM 0 HB3 LEU A 74 47.967 -5.050 2.959 1.00 1.00 H new ATOM 0 HG LEU A 74 46.349 -3.267 4.294 1.00 1.00 H new ATOM 0 HD11 LEU A 74 46.185 -1.209 2.891 1.00 1.00 H new ATOM 0 HD12 LEU A 74 47.774 -1.328 3.683 1.00 1.00 H new ATOM 0 HD13 LEU A 74 47.606 -1.739 1.960 1.00 1.00 H new ATOM 0 HD21 LEU A 74 44.967 -3.242 2.201 1.00 1.00 H new ATOM 0 HD22 LEU A 74 46.379 -3.799 1.273 1.00 1.00 H new ATOM 0 HD23 LEU A 74 45.649 -4.858 2.503 1.00 1.00 H new ATOM 1007 N VAL A 75 47.420 -2.632 6.252 1.00 1.00 N ATOM 1008 CA VAL A 75 47.231 -1.390 6.994 1.00 1.00 C ATOM 1009 C VAL A 75 48.163 -1.322 8.193 1.00 1.00 C ATOM 1010 O VAL A 75 48.759 -0.281 8.471 1.00 1.00 O ATOM 1011 CB VAL A 75 45.774 -1.277 7.451 1.00 1.00 C ATOM 1012 CG1 VAL A 75 45.602 -0.048 8.349 1.00 1.00 C ATOM 1013 CG2 VAL A 75 44.866 -1.143 6.225 1.00 1.00 C ATOM 0 H VAL A 75 46.630 -3.276 6.290 1.00 1.00 H new ATOM 0 HA VAL A 75 47.469 -0.555 6.335 1.00 1.00 H new ATOM 0 HB VAL A 75 45.504 -2.171 8.013 1.00 1.00 H new ATOM 0 HG11 VAL A 75 44.563 0.026 8.670 1.00 1.00 H new ATOM 0 HG12 VAL A 75 46.246 -0.143 9.223 1.00 1.00 H new ATOM 0 HG13 VAL A 75 45.875 0.849 7.794 1.00 1.00 H new ATOM 0 HG21 VAL A 75 43.828 -1.062 6.548 1.00 1.00 H new ATOM 0 HG22 VAL A 75 45.142 -0.250 5.664 1.00 1.00 H new ATOM 0 HG23 VAL A 75 44.981 -2.021 5.589 1.00 1.00 H new ATOM 1023 N ASP A 76 48.269 -2.431 8.906 1.00 1.00 N ATOM 1024 CA ASP A 76 49.113 -2.497 10.090 1.00 1.00 C ATOM 1025 C ASP A 76 50.553 -2.808 9.724 1.00 1.00 C ATOM 1026 O ASP A 76 51.419 -2.885 10.595 1.00 1.00 O ATOM 1027 CB ASP A 76 48.585 -3.569 11.039 1.00 1.00 C ATOM 1028 CG ASP A 76 47.261 -3.127 11.652 1.00 1.00 C ATOM 1029 OD1 ASP A 76 46.944 -1.953 11.549 1.00 1.00 O ATOM 1030 OD2 ASP A 76 46.585 -3.970 12.218 1.00 1.00 O ATOM 0 H ASP A 76 47.781 -3.299 8.686 1.00 1.00 H new ATOM 0 HA ASP A 76 49.087 -1.523 10.579 1.00 1.00 H new ATOM 0 HB2 ASP A 76 48.449 -4.507 10.500 1.00 1.00 H new ATOM 0 HB3 ASP A 76 49.314 -3.757 11.827 1.00 1.00 H new ATOM 1035 N SER A 77 50.810 -2.991 8.440 1.00 1.00 N ATOM 1036 CA SER A 77 52.160 -3.295 7.988 1.00 1.00 C ATOM 1037 C SER A 77 53.165 -2.384 8.676 1.00 1.00 C ATOM 1038 O SER A 77 54.286 -2.793 8.980 1.00 1.00 O ATOM 1039 CB SER A 77 52.249 -3.090 6.484 1.00 1.00 C ATOM 1040 OG SER A 77 51.795 -1.783 6.159 1.00 1.00 O ATOM 0 H SER A 77 50.112 -2.936 7.698 1.00 1.00 H new ATOM 0 HA SER A 77 52.389 -4.331 8.237 1.00 1.00 H new ATOM 0 HB2 SER A 77 53.277 -3.224 6.148 1.00 1.00 H new ATOM 0 HB3 SER A 77 51.645 -3.836 5.968 1.00 1.00 H new ATOM 0 HG SER A 77 51.009 -1.845 5.576 1.00 1.00 H new ATOM 1046 N LEU A 78 52.751 -1.146 8.916 1.00 1.00 N ATOM 1047 CA LEU A 78 53.609 -0.161 9.572 1.00 1.00 C ATOM 1048 C LEU A 78 52.826 0.609 10.621 1.00 1.00 C ATOM 1049 O LEU A 78 52.978 1.823 10.758 1.00 1.00 O ATOM 1050 CB LEU A 78 54.170 0.818 8.535 1.00 1.00 C ATOM 1051 CG LEU A 78 53.060 1.275 7.535 1.00 1.00 C ATOM 1052 CD1 LEU A 78 52.542 2.676 7.895 1.00 1.00 C ATOM 1053 CD2 LEU A 78 53.647 1.319 6.114 1.00 1.00 C ATOM 0 H LEU A 78 51.825 -0.798 8.667 1.00 1.00 H new ATOM 0 HA LEU A 78 54.431 -0.688 10.057 1.00 1.00 H new ATOM 0 HB2 LEU A 78 54.589 1.688 9.041 1.00 1.00 H new ATOM 0 HB3 LEU A 78 54.985 0.345 7.987 1.00 1.00 H new ATOM 0 HG LEU A 78 52.234 0.566 7.589 1.00 1.00 H new ATOM 0 HD11 LEU A 78 51.770 2.972 7.185 1.00 1.00 H new ATOM 0 HD12 LEU A 78 52.123 2.662 8.901 1.00 1.00 H new ATOM 0 HD13 LEU A 78 53.365 3.390 7.855 1.00 1.00 H new ATOM 0 HD21 LEU A 78 52.877 1.637 5.412 1.00 1.00 H new ATOM 0 HD22 LEU A 78 54.478 2.024 6.085 1.00 1.00 H new ATOM 0 HD23 LEU A 78 54.003 0.327 5.837 1.00 1.00 H new ATOM 1065 N LYS A 79 51.999 -0.112 11.363 1.00 1.00 N ATOM 1066 CA LYS A 79 51.184 0.500 12.413 1.00 1.00 C ATOM 1067 C LYS A 79 50.687 1.881 11.990 1.00 1.00 C ATOM 1068 O LYS A 79 50.559 2.102 10.796 1.00 1.00 O ATOM 1069 CB LYS A 79 51.974 0.614 13.727 1.00 1.00 C ATOM 1070 CG LYS A 79 53.224 1.487 13.534 1.00 1.00 C ATOM 1071 CD LYS A 79 53.888 1.735 14.888 1.00 1.00 C ATOM 1072 CE LYS A 79 55.107 2.637 14.686 1.00 1.00 C ATOM 1073 NZ LYS A 79 55.735 2.925 16.006 1.00 1.00 N ATOM 1074 OXT LYS A 79 50.457 2.701 12.863 1.00 1.00 O ATOM 0 H LYS A 79 51.871 -1.119 11.262 1.00 1.00 H new ATOM 0 HA LYS A 79 50.322 -0.147 12.575 1.00 1.00 H new ATOM 0 HB2 LYS A 79 51.340 1.044 14.502 1.00 1.00 H new ATOM 0 HB3 LYS A 79 52.267 -0.379 14.069 1.00 1.00 H new ATOM 0 HG2 LYS A 79 53.924 0.994 12.859 1.00 1.00 H new ATOM 0 HG3 LYS A 79 52.950 2.436 13.072 1.00 1.00 H new ATOM 0 HD2 LYS A 79 53.182 2.204 15.574 1.00 1.00 H new ATOM 0 HD3 LYS A 79 54.190 0.789 15.338 1.00 1.00 H new ATOM 0 HE2 LYS A 79 55.827 2.152 14.027 1.00 1.00 H new ATOM 0 HE3 LYS A 79 54.809 3.567 14.202 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 55.868 3.951 16.111 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 55.118 2.576 16.767 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 56.658 2.449 16.063 1.00 1.00 H new