USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 582 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 30 THR OG1 : rot 180:sc= 0.491 USER MOD Set 1.2: A 31 ASN : amide:sc= 0.528 K(o=1,f=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.21) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -32:sc= 0.921 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -3.85! C(o=-3.9!,f=-7.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 74:sc= 1.14 USER MOD Single : A 70 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.48) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.202) USER MOD Single : A 77 SER OG : rot 118:sc= 1.42 USER MOD Single : A 79 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.059) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -83:sc= -0.131 USER MOD Single : A 84 MET CE :methyl -158:sc= -1.05 (180deg=-2.15) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.049 X(o=-0.049,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -1.794 5.902 11.103 1.00 0.00 N ATOM 2 CA MET A 15 -1.298 6.356 9.814 1.00 0.00 C ATOM 3 C MET A 15 -1.733 5.473 8.671 1.00 0.00 C ATOM 4 O MET A 15 -1.459 5.875 7.557 1.00 0.00 O ATOM 5 CB MET A 15 0.244 6.533 9.860 1.00 0.00 C ATOM 6 CG MET A 15 0.604 7.968 10.321 1.00 0.00 C ATOM 7 SD MET A 15 2.410 8.152 10.424 1.00 0.00 S ATOM 8 CE MET A 15 2.464 9.786 11.223 1.00 0.00 C ATOM 0 HA MET A 15 -1.749 7.329 9.617 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.681 5.804 10.542 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.669 6.342 8.874 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.195 8.697 9.622 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.153 8.171 11.293 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.502 10.082 11.375 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.967 10.519 10.587 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.956 9.737 12.186 1.00 0.00 H new ATOM 18 N ALA A 16 -2.439 4.332 8.824 1.00 0.00 N ATOM 19 CA ALA A 16 -2.826 3.595 7.619 1.00 0.00 C ATOM 20 C ALA A 16 -3.590 4.406 6.588 1.00 0.00 C ATOM 21 O ALA A 16 -3.452 4.040 5.431 1.00 0.00 O ATOM 22 CB ALA A 16 -3.566 2.262 7.906 1.00 0.00 C ATOM 0 H ALA A 16 -2.734 3.927 9.713 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.860 3.354 7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.819 1.776 6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.921 1.606 8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.479 2.466 8.465 1.00 0.00 H new ATOM 28 N PRO A 17 -4.397 5.467 6.865 1.00 0.00 N ATOM 29 CA PRO A 17 -5.138 6.102 5.785 1.00 0.00 C ATOM 30 C PRO A 17 -4.300 7.170 5.107 1.00 0.00 C ATOM 31 O PRO A 17 -4.318 7.243 3.890 1.00 0.00 O ATOM 32 CB PRO A 17 -6.366 6.593 6.579 1.00 0.00 C ATOM 33 CG PRO A 17 -5.852 6.897 8.006 1.00 0.00 C ATOM 34 CD PRO A 17 -4.617 5.980 8.212 1.00 0.00 C ATOM 0 HA PRO A 17 -5.418 5.485 4.931 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.797 7.483 6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.148 5.834 6.599 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.581 7.948 8.109 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.621 6.692 8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.755 6.533 8.584 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.816 5.181 8.926 1.00 0.00 H new ATOM 42 N ALA A 18 -3.533 8.000 5.850 1.00 0.00 N ATOM 43 CA ALA A 18 -2.568 8.890 5.212 1.00 0.00 C ATOM 44 C ALA A 18 -1.477 8.063 4.571 1.00 0.00 C ATOM 45 O ALA A 18 -0.992 8.433 3.513 1.00 0.00 O ATOM 46 CB ALA A 18 -1.883 9.802 6.265 1.00 0.00 C ATOM 0 H ALA A 18 -3.569 8.064 6.867 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.101 9.494 4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.168 10.457 5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.638 10.405 6.770 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.362 9.185 6.997 1.00 0.00 H new ATOM 52 N LEU A 19 -1.060 6.945 5.216 1.00 0.00 N ATOM 53 CA LEU A 19 0.064 6.180 4.692 1.00 0.00 C ATOM 54 C LEU A 19 -0.446 5.533 3.423 1.00 0.00 C ATOM 55 O LEU A 19 0.111 5.830 2.380 1.00 0.00 O ATOM 56 CB LEU A 19 0.686 5.143 5.680 1.00 0.00 C ATOM 57 CG LEU A 19 2.198 4.825 5.474 1.00 0.00 C ATOM 58 CD1 LEU A 19 2.552 4.788 3.974 1.00 0.00 C ATOM 59 CD2 LEU A 19 3.147 5.807 6.216 1.00 0.00 C ATOM 0 H LEU A 19 -1.478 6.575 6.070 1.00 0.00 H new ATOM 0 HA LEU A 19 0.904 6.850 4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.548 5.511 6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.125 4.212 5.599 1.00 0.00 H new ATOM 0 HG LEU A 19 2.355 3.841 5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.612 4.564 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.961 4.017 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.333 5.757 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.183 5.525 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.976 6.821 5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.949 5.765 7.287 1.00 0.00 H new ATOM 71 N VAL A 20 -1.512 4.689 3.455 1.00 0.00 N ATOM 72 CA VAL A 20 -1.999 4.094 2.202 1.00 0.00 C ATOM 73 C VAL A 20 -2.140 5.177 1.160 1.00 0.00 C ATOM 74 O VAL A 20 -1.896 4.926 -0.011 1.00 0.00 O ATOM 75 CB VAL A 20 -3.335 3.294 2.253 1.00 0.00 C ATOM 76 CG1 VAL A 20 -4.583 4.217 2.287 1.00 0.00 C ATOM 77 CG2 VAL A 20 -3.468 2.290 1.067 1.00 0.00 C ATOM 0 H VAL A 20 -2.023 4.421 4.296 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.240 3.349 1.964 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.297 2.732 3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.486 3.607 2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.541 4.854 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.600 4.839 1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.415 1.756 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.437 2.835 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.645 1.576 1.101 1.00 0.00 H new ATOM 87 N ALA A 21 -2.552 6.399 1.581 1.00 0.00 N ATOM 88 CA ALA A 21 -2.746 7.454 0.601 1.00 0.00 C ATOM 89 C ALA A 21 -1.425 7.809 -0.054 1.00 0.00 C ATOM 90 O ALA A 21 -1.406 8.069 -1.247 1.00 0.00 O ATOM 91 CB ALA A 21 -3.429 8.726 1.166 1.00 0.00 C ATOM 0 H ALA A 21 -2.744 6.655 2.549 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.436 7.052 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.537 9.464 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.413 8.467 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.818 9.142 1.967 1.00 0.00 H new ATOM 97 N ALA A 22 -0.309 7.824 0.714 1.00 0.00 N ATOM 98 CA ALA A 22 0.990 8.212 0.155 1.00 0.00 C ATOM 99 C ALA A 22 1.405 7.464 -1.100 1.00 0.00 C ATOM 100 O ALA A 22 2.246 8.003 -1.801 1.00 0.00 O ATOM 101 CB ALA A 22 2.129 8.048 1.195 1.00 0.00 C ATOM 0 H ALA A 22 -0.290 7.575 1.703 1.00 0.00 H new ATOM 0 HA ALA A 22 0.843 9.257 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.077 8.345 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.925 8.678 2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.187 7.006 1.510 1.00 0.00 H new ATOM 107 N PHE A 23 0.864 6.258 -1.411 1.00 0.00 N ATOM 108 CA PHE A 23 1.219 5.548 -2.659 1.00 0.00 C ATOM 109 C PHE A 23 -0.047 5.049 -3.331 1.00 0.00 C ATOM 110 O PHE A 23 -0.268 5.382 -4.484 1.00 0.00 O ATOM 111 CB PHE A 23 2.161 4.358 -2.368 1.00 0.00 C ATOM 112 CG PHE A 23 3.204 3.834 -3.358 1.00 0.00 C ATOM 113 CD1 PHE A 23 3.382 4.322 -4.657 1.00 0.00 C ATOM 114 CD2 PHE A 23 4.020 2.794 -2.892 1.00 0.00 C ATOM 115 CE1 PHE A 23 4.323 3.704 -5.485 1.00 0.00 C ATOM 116 CE2 PHE A 23 5.035 2.269 -3.690 1.00 0.00 C ATOM 117 CZ PHE A 23 5.186 2.719 -5.004 1.00 0.00 C ATOM 0 H PHE A 23 0.191 5.766 -0.823 1.00 0.00 H new ATOM 0 HA PHE A 23 1.740 6.241 -3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.705 4.615 -1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.518 3.512 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.803 5.161 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.860 2.394 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.384 3.996 -6.523 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.702 1.517 -3.294 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.959 2.311 -5.638 1.00 0.00 H new ATOM 127 N GLY A 24 -0.893 4.249 -2.627 1.00 0.00 N ATOM 128 CA GLY A 24 -2.157 3.807 -3.211 1.00 0.00 C ATOM 129 C GLY A 24 -3.131 4.942 -3.433 1.00 0.00 C ATOM 130 O GLY A 24 -3.983 4.791 -4.295 1.00 0.00 O ATOM 0 H GLY A 24 -0.716 3.913 -1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.959 3.313 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.614 3.065 -2.556 1.00 0.00 H new ATOM 134 N GLY A 25 -3.028 6.071 -2.686 1.00 0.00 N ATOM 135 CA GLY A 25 -3.883 7.228 -2.973 1.00 0.00 C ATOM 136 C GLY A 25 -3.203 8.212 -3.889 1.00 0.00 C ATOM 137 O GLY A 25 -3.729 9.304 -4.050 1.00 0.00 O ATOM 0 H GLY A 25 -2.381 6.194 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.813 6.889 -3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.149 7.724 -2.040 1.00 0.00 H new ATOM 141 N LYS A 26 -2.055 7.852 -4.509 1.00 0.00 N ATOM 142 CA LYS A 26 -1.464 8.725 -5.513 1.00 0.00 C ATOM 143 C LYS A 26 -2.192 8.288 -6.767 1.00 0.00 C ATOM 144 O LYS A 26 -1.620 7.579 -7.578 1.00 0.00 O ATOM 145 CB LYS A 26 0.067 8.498 -5.613 1.00 0.00 C ATOM 146 CG LYS A 26 0.853 8.634 -4.284 1.00 0.00 C ATOM 147 CD LYS A 26 0.979 10.067 -3.681 1.00 0.00 C ATOM 148 CE LYS A 26 2.455 10.535 -3.437 1.00 0.00 C ATOM 149 NZ LYS A 26 2.941 11.424 -4.516 1.00 0.00 N ATOM 0 H LYS A 26 -1.543 6.988 -4.330 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.567 9.790 -5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.243 7.501 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.476 9.210 -6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.376 7.994 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.858 8.243 -4.443 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.492 10.775 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.438 10.100 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.517 11.057 -2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.105 9.663 -3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.921 11.710 -4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.907 10.918 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.337 12.269 -4.568 1.00 0.00 H new ATOM 163 N GLU A 27 -3.483 8.665 -6.934 1.00 0.00 N ATOM 164 CA GLU A 27 -4.243 8.146 -8.078 1.00 0.00 C ATOM 165 C GLU A 27 -3.502 8.439 -9.368 1.00 0.00 C ATOM 166 O GLU A 27 -3.607 7.662 -10.304 1.00 0.00 O ATOM 167 CB GLU A 27 -5.722 8.644 -8.130 1.00 0.00 C ATOM 168 CG GLU A 27 -5.961 9.755 -9.188 1.00 0.00 C ATOM 169 CD GLU A 27 -7.360 10.311 -9.079 1.00 0.00 C ATOM 170 OE1 GLU A 27 -8.331 9.507 -9.133 1.00 0.00 O ATOM 171 OE2 GLU A 27 -7.500 11.557 -8.935 1.00 0.00 O ATOM 0 H GLU A 27 -3.994 9.297 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.317 7.066 -7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.375 7.799 -8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.006 9.021 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.235 10.556 -9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.803 9.351 -10.188 1.00 0.00 H new ATOM 178 N ASN A 28 -2.728 9.553 -9.415 1.00 0.00 N ATOM 179 CA ASN A 28 -1.921 9.872 -10.597 1.00 0.00 C ATOM 180 C ASN A 28 -1.072 8.712 -11.092 1.00 0.00 C ATOM 181 O ASN A 28 -0.640 8.768 -12.232 1.00 0.00 O ATOM 182 CB ASN A 28 -0.977 11.064 -10.266 1.00 0.00 C ATOM 183 CG ASN A 28 -0.079 11.443 -11.421 1.00 0.00 C ATOM 184 OD1 ASN A 28 1.129 11.326 -11.297 1.00 0.00 O ATOM 185 ND2 ASN A 28 -0.646 11.902 -12.560 1.00 0.00 N ATOM 0 H ASN A 28 -2.653 10.230 -8.655 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.626 10.118 -11.392 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.578 11.928 -9.981 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.362 10.805 -9.404 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.059 12.164 -13.352 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.660 11.986 -12.627 1.00 0.00 H new ATOM 192 N ILE A 29 -0.814 7.674 -10.262 1.00 0.00 N ATOM 193 CA ILE A 29 0.035 6.546 -10.658 1.00 0.00 C ATOM 194 C ILE A 29 -0.047 6.095 -12.102 1.00 0.00 C ATOM 195 O ILE A 29 -1.084 6.231 -12.730 1.00 0.00 O ATOM 196 CB ILE A 29 -0.186 5.353 -9.665 1.00 0.00 C ATOM 197 CG1 ILE A 29 0.566 5.505 -8.295 1.00 0.00 C ATOM 198 CG2 ILE A 29 0.054 3.937 -10.271 1.00 0.00 C ATOM 199 CD1 ILE A 29 1.523 6.723 -8.119 1.00 0.00 C ATOM 0 H ILE A 29 -1.186 7.603 -9.315 1.00 0.00 H new ATOM 0 HA ILE A 29 1.054 6.927 -10.593 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.254 5.423 -9.459 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.184 5.552 -7.505 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.146 4.597 -8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.124 3.180 -9.508 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.629 3.778 -11.106 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.082 3.862 -10.624 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.969 6.695 -7.125 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.310 6.679 -8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.960 7.649 -8.237 1.00 0.00 H new ATOM 211 N THR A 30 1.087 5.543 -12.610 1.00 0.00 N ATOM 212 CA THR A 30 1.167 5.060 -13.988 1.00 0.00 C ATOM 213 C THR A 30 0.568 3.668 -13.996 1.00 0.00 C ATOM 214 O THR A 30 -0.401 3.472 -14.712 1.00 0.00 O ATOM 215 CB THR A 30 2.593 5.097 -14.648 1.00 0.00 C ATOM 216 OG1 THR A 30 2.867 3.828 -15.272 1.00 0.00 O ATOM 217 CG2 THR A 30 3.758 5.432 -13.680 1.00 0.00 C ATOM 0 H THR A 30 1.949 5.428 -12.076 1.00 0.00 H new ATOM 0 HA THR A 30 0.608 5.750 -14.620 1.00 0.00 H new ATOM 0 HB THR A 30 2.553 5.912 -15.371 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.755 3.852 -15.685 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.699 5.433 -14.230 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.594 6.415 -13.240 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.801 4.683 -12.889 1.00 0.00 H new ATOM 225 N ASN A 31 1.116 2.693 -13.223 1.00 0.00 N ATOM 226 CA ASN A 31 0.578 1.328 -13.235 1.00 0.00 C ATOM 227 C ASN A 31 0.346 0.787 -11.834 1.00 0.00 C ATOM 228 O ASN A 31 1.075 1.157 -10.926 1.00 0.00 O ATOM 229 CB ASN A 31 1.528 0.386 -14.027 1.00 0.00 C ATOM 230 CG ASN A 31 1.180 0.318 -15.496 1.00 0.00 C ATOM 231 OD1 ASN A 31 0.705 -0.714 -15.945 1.00 0.00 O ATOM 232 ND2 ASN A 31 1.401 1.401 -16.272 1.00 0.00 N ATOM 0 H ASN A 31 1.912 2.832 -12.601 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.392 1.365 -13.730 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.555 0.733 -13.916 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.482 -0.615 -13.599 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.170 1.373 -17.265 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.799 2.247 -15.865 1.00 0.00 H new ATOM 239 N LEU A 32 -0.675 -0.096 -11.666 1.00 0.00 N ATOM 240 CA LEU A 32 -1.025 -0.646 -10.349 1.00 0.00 C ATOM 241 C LEU A 32 -1.646 -2.010 -10.624 1.00 0.00 C ATOM 242 O LEU A 32 -2.436 -2.066 -11.551 1.00 0.00 O ATOM 243 CB LEU A 32 -2.008 0.347 -9.641 1.00 0.00 C ATOM 244 CG LEU A 32 -1.863 0.458 -8.091 1.00 0.00 C ATOM 245 CD1 LEU A 32 -2.481 1.772 -7.528 1.00 0.00 C ATOM 246 CD2 LEU A 32 -2.495 -0.750 -7.349 1.00 0.00 C ATOM 0 H LEU A 32 -1.261 -0.434 -12.429 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.172 -0.767 -9.681 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.866 1.338 -10.072 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.029 0.043 -9.870 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.789 0.465 -7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.353 1.800 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.979 2.631 -7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.543 1.807 -7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.367 -0.624 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.558 -0.806 -7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.004 -1.670 -7.667 1.00 0.00 H new ATOM 258 N ASP A 33 -1.317 -3.107 -9.897 1.00 0.00 N ATOM 259 CA ASP A 33 -1.872 -4.434 -10.191 1.00 0.00 C ATOM 260 C ASP A 33 -2.615 -4.888 -8.955 1.00 0.00 C ATOM 261 O ASP A 33 -2.169 -5.811 -8.290 1.00 0.00 O ATOM 262 CB ASP A 33 -0.781 -5.469 -10.581 1.00 0.00 C ATOM 263 CG ASP A 33 -0.073 -5.224 -11.888 1.00 0.00 C ATOM 264 OD1 ASP A 33 -0.104 -4.069 -12.391 1.00 0.00 O ATOM 265 OD2 ASP A 33 0.530 -6.201 -12.414 1.00 0.00 O ATOM 0 H ASP A 33 -0.672 -3.090 -9.107 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.535 -4.364 -11.054 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.035 -5.497 -9.787 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.242 -6.456 -10.620 1.00 0.00 H new ATOM 270 N ALA A 34 -3.761 -4.241 -8.647 1.00 0.00 N ATOM 271 CA ALA A 34 -4.532 -4.636 -7.469 1.00 0.00 C ATOM 272 C ALA A 34 -5.013 -6.065 -7.599 1.00 0.00 C ATOM 273 O ALA A 34 -5.283 -6.467 -8.721 1.00 0.00 O ATOM 274 CB ALA A 34 -5.726 -3.682 -7.221 1.00 0.00 C ATOM 0 H ALA A 34 -4.155 -3.469 -9.184 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.869 -4.568 -6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.275 -4.008 -6.337 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.356 -2.669 -7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.389 -3.697 -8.086 1.00 0.00 H new ATOM 280 N CYS A 35 -5.120 -6.844 -6.488 1.00 0.00 N ATOM 281 CA CYS A 35 -5.587 -8.231 -6.613 1.00 0.00 C ATOM 282 C CYS A 35 -5.984 -8.836 -5.274 1.00 0.00 C ATOM 283 O CYS A 35 -5.760 -8.200 -4.256 1.00 0.00 O ATOM 284 CB CYS A 35 -4.516 -9.108 -7.326 1.00 0.00 C ATOM 285 SG CYS A 35 -5.259 -10.151 -8.627 1.00 0.00 S ATOM 0 H CYS A 35 -4.897 -6.542 -5.539 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.488 -8.211 -7.226 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.753 -8.466 -7.765 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.016 -9.741 -6.593 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.331 -10.862 -9.195 1.00 0.00 H new ATOM 291 N ILE A 36 -6.580 -10.058 -5.278 1.00 0.00 N ATOM 292 CA ILE A 36 -7.163 -10.655 -4.068 1.00 0.00 C ATOM 293 C ILE A 36 -6.466 -10.289 -2.773 1.00 0.00 C ATOM 294 O ILE A 36 -7.055 -9.575 -1.975 1.00 0.00 O ATOM 295 CB ILE A 36 -7.468 -12.195 -4.135 1.00 0.00 C ATOM 296 CG1 ILE A 36 -6.259 -13.178 -4.320 1.00 0.00 C ATOM 297 CG2 ILE A 36 -8.583 -12.504 -5.178 1.00 0.00 C ATOM 298 CD1 ILE A 36 -5.293 -12.850 -5.494 1.00 0.00 C ATOM 0 H ILE A 36 -6.664 -10.641 -6.111 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.137 -10.166 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.807 -12.406 -3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.683 -13.194 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.652 -14.184 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.772 -13.577 -5.202 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.497 -11.981 -4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.261 -12.171 -6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.496 -13.593 -5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.844 -12.866 -6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.860 -11.861 -5.344 1.00 0.00 H new ATOM 310 N THR A 37 -5.218 -10.752 -2.537 1.00 0.00 N ATOM 311 CA THR A 37 -4.480 -10.379 -1.339 1.00 0.00 C ATOM 312 C THR A 37 -3.112 -9.943 -1.836 1.00 0.00 C ATOM 313 O THR A 37 -2.114 -10.286 -1.218 1.00 0.00 O ATOM 314 CB THR A 37 -4.436 -11.547 -0.310 1.00 0.00 C ATOM 315 OG1 THR A 37 -4.043 -12.767 -0.954 1.00 0.00 O ATOM 316 CG2 THR A 37 -5.818 -11.792 0.344 1.00 0.00 C ATOM 0 H THR A 37 -4.715 -11.380 -3.164 1.00 0.00 H new ATOM 0 HA THR A 37 -4.955 -9.568 -0.787 1.00 0.00 H new ATOM 0 HB THR A 37 -3.716 -11.259 0.456 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.018 -13.492 -0.295 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.743 -12.615 1.055 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.139 -10.890 0.865 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.546 -12.044 -0.427 1.00 0.00 H new ATOM 324 N ARG A 38 -3.083 -9.178 -2.957 1.00 0.00 N ATOM 325 CA ARG A 38 -1.831 -8.758 -3.570 1.00 0.00 C ATOM 326 C ARG A 38 -2.069 -7.455 -4.322 1.00 0.00 C ATOM 327 O ARG A 38 -2.899 -7.502 -5.211 1.00 0.00 O ATOM 328 CB ARG A 38 -1.331 -9.806 -4.613 1.00 0.00 C ATOM 329 CG ARG A 38 -0.857 -11.196 -4.080 1.00 0.00 C ATOM 330 CD ARG A 38 -1.702 -12.460 -4.412 1.00 0.00 C ATOM 331 NE ARG A 38 -0.819 -13.641 -4.525 1.00 0.00 N ATOM 332 CZ ARG A 38 -0.203 -14.232 -3.517 1.00 0.00 C ATOM 333 NH1 ARG A 38 -0.349 -13.876 -2.262 1.00 0.00 N ATOM 334 NH2 ARG A 38 0.609 -15.232 -3.776 1.00 0.00 N ATOM 0 H ARG A 38 -3.918 -8.849 -3.441 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.089 -8.647 -2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.136 -9.978 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.504 -9.360 -5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.152 -11.366 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.784 -11.125 -2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.447 -12.625 -3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.245 -12.310 -5.345 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.674 -14.031 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.967 -13.102 -2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.156 -14.374 -1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.752 -15.536 -4.739 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.096 -15.704 -3.014 1.00 0.00 H new ATOM 348 N LEU A 39 -1.374 -6.316 -4.035 1.00 0.00 N ATOM 349 CA LEU A 39 -1.443 -5.136 -4.914 1.00 0.00 C ATOM 350 C LEU A 39 -0.071 -4.866 -5.482 1.00 0.00 C ATOM 351 O LEU A 39 0.847 -5.624 -5.199 1.00 0.00 O ATOM 352 CB LEU A 39 -2.290 -3.955 -4.307 1.00 0.00 C ATOM 353 CG LEU A 39 -1.716 -3.145 -3.100 1.00 0.00 C ATOM 354 CD1 LEU A 39 -0.871 -1.924 -3.549 1.00 0.00 C ATOM 355 CD2 LEU A 39 -2.847 -2.562 -2.196 1.00 0.00 C ATOM 0 H LEU A 39 -0.775 -6.202 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.053 -5.322 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.489 -3.247 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.251 -4.366 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.102 -3.865 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.497 -1.398 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.030 -2.266 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.491 -1.250 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.403 -2.007 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.476 -1.894 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.453 -3.377 -1.801 1.00 0.00 H new ATOM 367 N ARG A 40 0.129 -3.837 -6.317 1.00 0.00 N ATOM 368 CA ARG A 40 1.475 -3.473 -6.778 1.00 0.00 C ATOM 369 C ARG A 40 1.443 -1.993 -7.087 1.00 0.00 C ATOM 370 O ARG A 40 0.338 -1.519 -7.255 1.00 0.00 O ATOM 371 CB ARG A 40 1.985 -4.187 -8.065 1.00 0.00 C ATOM 372 CG ARG A 40 1.995 -5.744 -8.026 1.00 0.00 C ATOM 373 CD ARG A 40 2.690 -6.434 -9.252 1.00 0.00 C ATOM 374 NE ARG A 40 3.329 -5.479 -10.169 1.00 0.00 N ATOM 375 CZ ARG A 40 4.598 -5.495 -10.577 1.00 0.00 C ATOM 376 NH1 ARG A 40 5.475 -6.420 -10.300 1.00 0.00 N ATOM 377 NH2 ARG A 40 4.995 -4.490 -11.332 1.00 0.00 N ATOM 0 H ARG A 40 -0.617 -3.247 -6.684 1.00 0.00 H new ATOM 0 HA ARG A 40 2.154 -3.776 -5.981 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.365 -3.869 -8.903 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.999 -3.842 -8.270 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.497 -6.066 -7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.966 -6.097 -7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.440 -7.136 -8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.949 -7.015 -9.801 1.00 0.00 H new ATOM 0 HE ARG A 40 2.741 -4.727 -10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.209 -7.219 -9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.427 -6.345 -10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.341 -3.747 -11.578 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.957 -4.455 -11.670 1.00 0.00 H new ATOM 391 N VAL A 41 2.580 -1.251 -7.173 1.00 0.00 N ATOM 392 CA VAL A 41 2.480 0.184 -7.436 1.00 0.00 C ATOM 393 C VAL A 41 3.644 0.610 -8.312 1.00 0.00 C ATOM 394 O VAL A 41 4.556 1.270 -7.837 1.00 0.00 O ATOM 395 CB VAL A 41 2.352 0.958 -6.083 1.00 0.00 C ATOM 396 CG1 VAL A 41 1.630 2.312 -6.320 1.00 0.00 C ATOM 397 CG2 VAL A 41 1.612 0.190 -4.953 1.00 0.00 C ATOM 0 H VAL A 41 3.528 -1.614 -7.068 1.00 0.00 H new ATOM 0 HA VAL A 41 1.578 0.430 -7.996 1.00 0.00 H new ATOM 0 HB VAL A 41 3.376 1.098 -5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.543 2.848 -5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.204 2.912 -7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.635 2.128 -6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.575 0.809 -4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.597 -0.043 -5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.144 -0.735 -4.733 1.00 0.00 H new ATOM 407 N SER A 42 3.615 0.229 -9.612 1.00 0.00 N ATOM 408 CA SER A 42 4.746 0.516 -10.501 1.00 0.00 C ATOM 409 C SER A 42 4.868 1.981 -10.843 1.00 0.00 C ATOM 410 O SER A 42 4.003 2.463 -11.558 1.00 0.00 O ATOM 411 CB SER A 42 4.679 -0.319 -11.810 1.00 0.00 C ATOM 412 OG SER A 42 5.512 0.271 -12.826 1.00 0.00 O ATOM 0 H SER A 42 2.838 -0.265 -10.052 1.00 0.00 H new ATOM 0 HA SER A 42 5.635 0.228 -9.940 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.003 -1.341 -11.614 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.649 -0.373 -12.162 1.00 0.00 H new ATOM 0 HG SER A 42 5.461 -0.267 -13.644 1.00 0.00 H new ATOM 418 N VAL A 43 5.919 2.690 -10.344 1.00 0.00 N ATOM 419 CA VAL A 43 6.055 4.119 -10.616 1.00 0.00 C ATOM 420 C VAL A 43 7.495 4.567 -10.678 1.00 0.00 C ATOM 421 O VAL A 43 8.361 3.850 -10.203 1.00 0.00 O ATOM 422 CB VAL A 43 5.353 4.957 -9.511 1.00 0.00 C ATOM 423 CG1 VAL A 43 3.931 4.406 -9.241 1.00 0.00 C ATOM 424 CG2 VAL A 43 6.185 4.983 -8.198 1.00 0.00 C ATOM 0 H VAL A 43 6.660 2.292 -9.766 1.00 0.00 H new ATOM 0 HA VAL A 43 5.590 4.281 -11.588 1.00 0.00 H new ATOM 0 HB VAL A 43 5.273 5.983 -9.871 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.451 5.002 -8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.341 4.458 -10.156 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.999 3.369 -8.912 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.663 5.578 -7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.314 3.966 -7.829 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.162 5.424 -8.395 1.00 0.00 H new ATOM 434 N ALA A 44 7.734 5.781 -11.229 1.00 0.00 N ATOM 435 CA ALA A 44 9.059 6.385 -11.140 1.00 0.00 C ATOM 436 C ALA A 44 9.266 6.954 -9.751 1.00 0.00 C ATOM 437 O ALA A 44 10.377 6.842 -9.258 1.00 0.00 O ATOM 438 CB ALA A 44 9.208 7.525 -12.181 1.00 0.00 C ATOM 0 H ALA A 44 7.039 6.339 -11.725 1.00 0.00 H new ATOM 0 HA ALA A 44 9.805 5.616 -11.344 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.202 7.964 -12.100 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.070 7.122 -13.184 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.457 8.291 -11.991 1.00 0.00 H new ATOM 444 N ASP A 45 8.217 7.568 -9.141 1.00 0.00 N ATOM 445 CA ASP A 45 8.346 8.251 -7.843 1.00 0.00 C ATOM 446 C ASP A 45 9.350 7.598 -6.902 1.00 0.00 C ATOM 447 O ASP A 45 10.513 7.938 -7.018 1.00 0.00 O ATOM 448 CB ASP A 45 6.943 8.563 -7.231 1.00 0.00 C ATOM 449 CG ASP A 45 6.952 9.628 -6.163 1.00 0.00 C ATOM 450 OD1 ASP A 45 7.150 10.814 -6.536 1.00 0.00 O ATOM 451 OD2 ASP A 45 6.745 9.309 -4.962 1.00 0.00 O ATOM 0 H ASP A 45 7.276 7.599 -9.534 1.00 0.00 H new ATOM 0 HA ASP A 45 8.804 9.223 -8.023 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.272 8.874 -8.032 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.532 7.646 -6.809 1.00 0.00 H new ATOM 456 N VAL A 46 8.974 6.692 -5.961 1.00 0.00 N ATOM 457 CA VAL A 46 9.952 6.075 -5.045 1.00 0.00 C ATOM 458 C VAL A 46 10.993 7.011 -4.438 1.00 0.00 C ATOM 459 O VAL A 46 11.952 6.511 -3.871 1.00 0.00 O ATOM 460 CB VAL A 46 10.543 4.745 -5.633 1.00 0.00 C ATOM 461 CG1 VAL A 46 9.529 4.062 -6.595 1.00 0.00 C ATOM 462 CG2 VAL A 46 11.904 4.910 -6.373 1.00 0.00 C ATOM 0 H VAL A 46 8.013 6.380 -5.823 1.00 0.00 H new ATOM 0 HA VAL A 46 9.369 5.803 -4.165 1.00 0.00 H new ATOM 0 HB VAL A 46 10.731 4.120 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.963 3.143 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.614 3.827 -6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.299 4.737 -7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.236 3.941 -6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.782 5.598 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.648 5.307 -5.682 1.00 0.00 H new ATOM 472 N SER A 47 10.833 8.359 -4.519 1.00 0.00 N ATOM 473 CA SER A 47 11.863 9.296 -4.054 1.00 0.00 C ATOM 474 C SER A 47 11.404 10.074 -2.836 1.00 0.00 C ATOM 475 O SER A 47 12.078 11.023 -2.465 1.00 0.00 O ATOM 476 CB SER A 47 12.187 10.256 -5.235 1.00 0.00 C ATOM 477 OG SER A 47 13.179 11.242 -4.899 1.00 0.00 O ATOM 0 H SER A 47 10.001 8.808 -4.902 1.00 0.00 H new ATOM 0 HA SER A 47 12.753 8.746 -3.749 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.537 9.672 -6.086 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.273 10.760 -5.548 1.00 0.00 H new ATOM 0 HG SER A 47 13.103 11.472 -3.949 1.00 0.00 H new ATOM 483 N LYS A 48 10.263 9.697 -2.207 1.00 0.00 N ATOM 484 CA LYS A 48 9.756 10.438 -1.046 1.00 0.00 C ATOM 485 C LYS A 48 8.578 9.701 -0.439 1.00 0.00 C ATOM 486 O LYS A 48 8.574 9.525 0.770 1.00 0.00 O ATOM 487 CB LYS A 48 9.406 11.943 -1.251 1.00 0.00 C ATOM 488 CG LYS A 48 8.442 12.318 -2.416 1.00 0.00 C ATOM 489 CD LYS A 48 9.045 12.018 -3.819 1.00 0.00 C ATOM 490 CE LYS A 48 8.448 12.899 -4.958 1.00 0.00 C ATOM 491 NZ LYS A 48 8.876 14.318 -4.910 1.00 0.00 N ATOM 0 H LYS A 48 9.692 8.898 -2.484 1.00 0.00 H new ATOM 0 HA LYS A 48 10.608 10.471 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.969 12.313 -0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.339 12.485 -1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.509 11.766 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.196 13.378 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.124 12.170 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.879 10.968 -4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.736 12.476 -5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.360 12.856 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.439 14.839 -5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.578 14.740 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.911 14.371 -4.992 1.00 0.00 H new ATOM 505 N VAL A 49 7.599 9.251 -1.265 1.00 0.00 N ATOM 506 CA VAL A 49 6.544 8.355 -0.791 1.00 0.00 C ATOM 507 C VAL A 49 7.041 7.474 0.340 1.00 0.00 C ATOM 508 O VAL A 49 8.152 6.977 0.250 1.00 0.00 O ATOM 509 CB VAL A 49 6.017 7.476 -1.966 1.00 0.00 C ATOM 510 CG1 VAL A 49 7.174 6.864 -2.815 1.00 0.00 C ATOM 511 CG2 VAL A 49 5.069 6.366 -1.441 1.00 0.00 C ATOM 0 H VAL A 49 7.529 9.498 -2.252 1.00 0.00 H new ATOM 0 HA VAL A 49 5.727 8.967 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 49 5.452 8.133 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.755 6.261 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.778 7.666 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.799 6.237 -2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.714 5.765 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.608 5.729 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.218 6.823 -0.935 1.00 0.00 H new ATOM 521 N ASP A 50 6.252 7.280 1.424 1.00 0.00 N ATOM 522 CA ASP A 50 6.745 6.536 2.584 1.00 0.00 C ATOM 523 C ASP A 50 6.529 5.063 2.328 1.00 0.00 C ATOM 524 O ASP A 50 5.759 4.437 3.036 1.00 0.00 O ATOM 525 CB ASP A 50 6.024 7.054 3.862 1.00 0.00 C ATOM 526 CG ASP A 50 6.611 6.527 5.148 1.00 0.00 C ATOM 527 OD1 ASP A 50 7.401 5.544 5.107 1.00 0.00 O ATOM 528 OD2 ASP A 50 6.285 7.104 6.223 1.00 0.00 O ATOM 0 H ASP A 50 5.295 7.623 1.510 1.00 0.00 H new ATOM 0 HA ASP A 50 7.813 6.688 2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.065 8.143 3.874 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.972 6.775 3.813 1.00 0.00 H new ATOM 533 N GLN A 51 7.200 4.479 1.310 1.00 0.00 N ATOM 534 CA GLN A 51 6.944 3.074 0.969 1.00 0.00 C ATOM 535 C GLN A 51 7.392 2.240 2.143 1.00 0.00 C ATOM 536 O GLN A 51 6.678 1.322 2.507 1.00 0.00 O ATOM 537 CB GLN A 51 7.677 2.568 -0.306 1.00 0.00 C ATOM 538 CG GLN A 51 7.422 3.493 -1.523 1.00 0.00 C ATOM 539 CD GLN A 51 8.044 3.128 -2.848 1.00 0.00 C ATOM 540 OE1 GLN A 51 7.490 3.487 -3.864 1.00 0.00 O ATOM 541 NE2 GLN A 51 9.216 2.462 -2.903 1.00 0.00 N ATOM 0 H GLN A 51 7.899 4.945 0.731 1.00 0.00 H new ATOM 0 HA GLN A 51 5.879 2.985 0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.748 2.511 -0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.342 1.558 -0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.344 3.558 -1.670 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.768 4.492 -1.258 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.674 2.164 -2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.644 2.256 -3.806 1.00 0.00 H new ATOM 550 N ALA A 52 8.562 2.578 2.736 1.00 0.00 N ATOM 551 CA ALA A 52 9.045 1.877 3.923 1.00 0.00 C ATOM 552 C ALA A 52 7.954 1.697 4.959 1.00 0.00 C ATOM 553 O ALA A 52 7.973 0.700 5.664 1.00 0.00 O ATOM 554 CB ALA A 52 10.218 2.662 4.569 1.00 0.00 C ATOM 0 H ALA A 52 9.174 3.325 2.407 1.00 0.00 H new ATOM 0 HA ALA A 52 9.380 0.892 3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.569 2.129 5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.034 2.753 3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.876 3.656 4.857 1.00 0.00 H new ATOM 560 N GLY A 53 6.999 2.650 5.075 1.00 0.00 N ATOM 561 CA GLY A 53 5.837 2.429 5.935 1.00 0.00 C ATOM 562 C GLY A 53 4.735 1.731 5.179 1.00 0.00 C ATOM 563 O GLY A 53 4.103 0.860 5.746 1.00 0.00 O ATOM 0 H GLY A 53 7.016 3.550 4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.127 1.831 6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.474 3.384 6.316 1.00 0.00 H new ATOM 567 N LEU A 54 4.464 2.075 3.903 1.00 0.00 N ATOM 568 CA LEU A 54 3.307 1.495 3.225 1.00 0.00 C ATOM 569 C LEU A 54 3.517 0.021 3.053 1.00 0.00 C ATOM 570 O LEU A 54 2.542 -0.675 2.837 1.00 0.00 O ATOM 571 CB LEU A 54 3.003 2.089 1.820 1.00 0.00 C ATOM 572 CG LEU A 54 1.478 2.258 1.500 1.00 0.00 C ATOM 573 CD1 LEU A 54 1.322 3.591 0.741 1.00 0.00 C ATOM 574 CD2 LEU A 54 0.884 1.112 0.622 1.00 0.00 C ATOM 0 H LEU A 54 5.014 2.729 3.345 1.00 0.00 H new ATOM 0 HA LEU A 54 2.457 1.731 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.488 3.062 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.451 1.445 1.063 1.00 0.00 H new ATOM 0 HG LEU A 54 0.933 2.233 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.272 3.750 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.677 4.410 1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.907 3.557 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.175 1.301 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.411 1.074 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.001 0.160 1.139 1.00 0.00 H new ATOM 586 N LYS A 55 4.770 -0.472 3.130 1.00 0.00 N ATOM 587 CA LYS A 55 5.016 -1.888 2.914 1.00 0.00 C ATOM 588 C LYS A 55 4.531 -2.752 4.047 1.00 0.00 C ATOM 589 O LYS A 55 3.892 -3.762 3.798 1.00 0.00 O ATOM 590 CB LYS A 55 6.496 -2.150 2.530 1.00 0.00 C ATOM 591 CG LYS A 55 7.670 -1.703 3.445 1.00 0.00 C ATOM 592 CD LYS A 55 7.915 -2.554 4.722 1.00 0.00 C ATOM 593 CE LYS A 55 9.418 -2.927 4.903 1.00 0.00 C ATOM 594 NZ LYS A 55 9.833 -4.020 3.990 1.00 0.00 N ATOM 0 H LYS A 55 5.600 0.084 3.336 1.00 0.00 H new ATOM 0 HA LYS A 55 4.411 -2.191 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.599 -3.226 2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.657 -1.683 1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.585 -1.706 2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.491 -0.672 3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.572 -2.001 5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.320 -3.466 4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.035 -2.047 4.719 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.595 -3.230 5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.839 -4.237 4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.263 -4.868 4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.689 -3.722 3.004 1.00 0.00 H new ATOM 608 N LYS A 56 4.849 -2.335 5.288 1.00 0.00 N ATOM 609 CA LYS A 56 4.455 -3.093 6.479 1.00 0.00 C ATOM 610 C LYS A 56 3.110 -2.615 6.988 1.00 0.00 C ATOM 611 O LYS A 56 2.268 -3.429 7.337 1.00 0.00 O ATOM 612 CB LYS A 56 5.553 -3.009 7.584 1.00 0.00 C ATOM 613 CG LYS A 56 5.855 -1.577 8.124 1.00 0.00 C ATOM 614 CD LYS A 56 7.186 -1.487 8.921 1.00 0.00 C ATOM 615 CE LYS A 56 7.116 -2.188 10.303 1.00 0.00 C ATOM 616 NZ LYS A 56 8.358 -1.946 11.073 1.00 0.00 N ATOM 0 H LYS A 56 5.374 -1.483 5.485 1.00 0.00 H new ATOM 0 HA LYS A 56 4.354 -4.143 6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.250 -3.638 8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.476 -3.431 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.894 -0.881 7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.034 -1.258 8.765 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.986 -1.936 8.333 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.446 -0.438 9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.257 -1.817 10.862 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.969 -3.259 10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.293 -2.423 11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.172 -2.321 10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.482 -0.924 11.220 1.00 0.00 H new ATOM 630 N LEU A 57 2.908 -1.280 7.052 1.00 0.00 N ATOM 631 CA LEU A 57 1.702 -0.697 7.652 1.00 0.00 C ATOM 632 C LEU A 57 0.612 -0.539 6.606 1.00 0.00 C ATOM 633 O LEU A 57 -0.552 -0.638 6.953 1.00 0.00 O ATOM 634 CB LEU A 57 2.185 0.606 8.363 1.00 0.00 C ATOM 635 CG LEU A 57 1.144 1.443 9.161 1.00 0.00 C ATOM 636 CD1 LEU A 57 0.449 2.476 8.241 1.00 0.00 C ATOM 637 CD2 LEU A 57 0.111 0.588 9.944 1.00 0.00 C ATOM 0 H LEU A 57 3.569 -0.591 6.693 1.00 0.00 H new ATOM 0 HA LEU A 57 1.221 -1.328 8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.987 0.332 9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.622 1.256 7.605 1.00 0.00 H new ATOM 0 HG LEU A 57 1.708 1.977 9.925 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.275 3.050 8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.196 3.151 7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.064 1.956 7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.579 1.245 10.473 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.447 -0.037 9.247 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.632 -0.045 10.662 1.00 0.00 H new ATOM 649 N GLY A 58 0.946 -0.313 5.315 1.00 0.00 N ATOM 650 CA GLY A 58 -0.084 -0.204 4.277 1.00 0.00 C ATOM 651 C GLY A 58 -0.349 -1.511 3.568 1.00 0.00 C ATOM 652 O GLY A 58 -1.492 -1.753 3.213 1.00 0.00 O ATOM 0 H GLY A 58 1.903 -0.206 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.010 0.152 4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.223 0.544 3.546 1.00 0.00 H new ATOM 656 N ALA A 59 0.701 -2.336 3.332 1.00 0.00 N ATOM 657 CA ALA A 59 0.554 -3.633 2.674 1.00 0.00 C ATOM 658 C ALA A 59 1.182 -4.620 3.645 1.00 0.00 C ATOM 659 O ALA A 59 1.163 -4.308 4.825 1.00 0.00 O ATOM 660 CB ALA A 59 1.271 -3.532 1.304 1.00 0.00 C ATOM 0 H ALA A 59 1.661 -2.112 3.595 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.467 -3.950 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.185 -4.483 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.809 -2.744 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.324 -3.298 1.461 1.00 0.00 H new ATOM 666 N ALA A 60 1.773 -5.771 3.230 1.00 0.00 N ATOM 667 CA ALA A 60 2.476 -6.612 4.195 1.00 0.00 C ATOM 668 C ALA A 60 3.423 -7.547 3.478 1.00 0.00 C ATOM 669 O ALA A 60 3.331 -8.753 3.643 1.00 0.00 O ATOM 670 CB ALA A 60 1.522 -7.347 5.171 1.00 0.00 C ATOM 0 H ALA A 60 1.771 -6.116 2.270 1.00 0.00 H new ATOM 0 HA ALA A 60 3.070 -5.959 4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.106 -7.955 5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.942 -6.615 5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.846 -7.989 4.605 1.00 0.00 H new ATOM 676 N GLY A 61 4.344 -6.967 2.671 1.00 0.00 N ATOM 677 CA GLY A 61 5.352 -7.754 1.962 1.00 0.00 C ATOM 678 C GLY A 61 5.531 -7.191 0.573 1.00 0.00 C ATOM 679 O GLY A 61 5.005 -7.790 -0.350 1.00 0.00 O ATOM 0 H GLY A 61 4.400 -5.963 2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.298 -7.728 2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.044 -8.798 1.908 1.00 0.00 H new ATOM 683 N VAL A 62 6.248 -6.052 0.401 1.00 0.00 N ATOM 684 CA VAL A 62 6.379 -5.430 -0.923 1.00 0.00 C ATOM 685 C VAL A 62 7.810 -5.547 -1.357 1.00 0.00 C ATOM 686 O VAL A 62 8.637 -5.976 -0.569 1.00 0.00 O ATOM 687 CB VAL A 62 5.897 -3.945 -0.913 1.00 0.00 C ATOM 688 CG1 VAL A 62 4.660 -3.809 0.012 1.00 0.00 C ATOM 689 CG2 VAL A 62 7.040 -2.919 -0.673 1.00 0.00 C ATOM 0 H VAL A 62 6.732 -5.560 1.152 1.00 0.00 H new ATOM 0 HA VAL A 62 5.738 -5.948 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 62 5.566 -3.671 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.323 -2.772 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.858 -4.449 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.928 -4.110 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.630 -1.909 -0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.508 -3.115 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.785 -3.013 -1.463 1.00 0.00 H new ATOM 699 N VAL A 63 8.108 -5.158 -2.617 1.00 0.00 N ATOM 700 CA VAL A 63 9.483 -5.201 -3.103 1.00 0.00 C ATOM 701 C VAL A 63 9.651 -4.012 -4.017 1.00 0.00 C ATOM 702 O VAL A 63 8.730 -3.777 -4.784 1.00 0.00 O ATOM 703 CB VAL A 63 9.823 -6.565 -3.792 1.00 0.00 C ATOM 704 CG1 VAL A 63 8.663 -7.597 -3.652 1.00 0.00 C ATOM 705 CG2 VAL A 63 10.222 -6.400 -5.285 1.00 0.00 C ATOM 0 H VAL A 63 7.424 -4.820 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 63 10.193 -5.139 -2.279 1.00 0.00 H new ATOM 0 HB VAL A 63 10.692 -6.954 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.943 -8.528 -4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.472 -7.788 -2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.762 -7.197 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.447 -7.377 -5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.397 -5.946 -5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.102 -5.761 -5.358 1.00 0.00 H new ATOM 715 N VAL A 64 10.785 -3.272 -3.946 1.00 0.00 N ATOM 716 CA VAL A 64 10.947 -2.069 -4.761 1.00 0.00 C ATOM 717 C VAL A 64 11.994 -2.379 -5.802 1.00 0.00 C ATOM 718 O VAL A 64 13.031 -2.901 -5.427 1.00 0.00 O ATOM 719 CB VAL A 64 11.386 -0.887 -3.854 1.00 0.00 C ATOM 720 CG1 VAL A 64 11.604 0.405 -4.688 1.00 0.00 C ATOM 721 CG2 VAL A 64 10.339 -0.655 -2.726 1.00 0.00 C ATOM 0 H VAL A 64 11.578 -3.490 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 64 10.015 -1.781 -5.247 1.00 0.00 H new ATOM 0 HB VAL A 64 12.339 -1.144 -3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.911 1.217 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.380 0.230 -5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.674 0.676 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.659 0.176 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.371 -0.422 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.252 -1.556 -2.119 1.00 0.00 H new ATOM 731 N ALA A 65 11.740 -2.083 -7.098 1.00 0.00 N ATOM 732 CA ALA A 65 12.700 -2.412 -8.152 1.00 0.00 C ATOM 733 C ALA A 65 12.688 -1.301 -9.178 1.00 0.00 C ATOM 734 O ALA A 65 11.957 -1.453 -10.142 1.00 0.00 O ATOM 735 CB ALA A 65 12.273 -3.770 -8.769 1.00 0.00 C ATOM 0 H ALA A 65 10.890 -1.624 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 65 13.716 -2.503 -7.767 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.970 -4.045 -9.561 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.279 -4.539 -7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.269 -3.681 -9.184 1.00 0.00 H new ATOM 741 N GLY A 66 13.459 -0.200 -8.971 1.00 0.00 N ATOM 742 CA GLY A 66 13.446 0.936 -9.898 1.00 0.00 C ATOM 743 C GLY A 66 13.025 0.524 -11.293 1.00 0.00 C ATOM 744 O GLY A 66 13.812 -0.181 -11.902 1.00 0.00 O ATOM 0 H GLY A 66 14.087 -0.087 -8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.765 1.701 -9.525 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.439 1.384 -9.936 1.00 0.00 H new ATOM 748 N SER A 67 11.804 0.912 -11.752 1.00 0.00 N ATOM 749 CA SER A 67 11.165 0.331 -12.943 1.00 0.00 C ATOM 750 C SER A 67 9.806 -0.212 -12.542 1.00 0.00 C ATOM 751 O SER A 67 8.901 -0.210 -13.364 1.00 0.00 O ATOM 752 CB SER A 67 11.904 -0.817 -13.687 1.00 0.00 C ATOM 753 OG SER A 67 13.125 -0.374 -14.308 1.00 0.00 O ATOM 0 H SER A 67 11.244 1.636 -11.301 1.00 0.00 H new ATOM 0 HA SER A 67 11.148 1.162 -13.648 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.128 -1.618 -12.982 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.245 -1.237 -14.447 1.00 0.00 H new ATOM 0 HG SER A 67 13.808 -0.231 -13.620 1.00 0.00 H new ATOM 759 N GLY A 68 9.643 -0.689 -11.286 1.00 0.00 N ATOM 760 CA GLY A 68 8.352 -1.211 -10.849 1.00 0.00 C ATOM 761 C GLY A 68 8.388 -1.503 -9.368 1.00 0.00 C ATOM 762 O GLY A 68 9.479 -1.539 -8.822 1.00 0.00 O ATOM 0 H GLY A 68 10.379 -0.718 -10.580 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.566 -0.488 -11.067 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.112 -2.119 -11.401 1.00 0.00 H new ATOM 766 N VAL A 69 7.224 -1.726 -8.714 1.00 0.00 N ATOM 767 CA VAL A 69 7.205 -1.985 -7.274 1.00 0.00 C ATOM 768 C VAL A 69 6.092 -2.975 -7.051 1.00 0.00 C ATOM 769 O VAL A 69 5.002 -2.706 -7.525 1.00 0.00 O ATOM 770 CB VAL A 69 6.938 -0.722 -6.409 1.00 0.00 C ATOM 771 CG1 VAL A 69 6.891 -1.080 -4.894 1.00 0.00 C ATOM 772 CG2 VAL A 69 7.987 0.378 -6.708 1.00 0.00 C ATOM 0 H VAL A 69 6.307 -1.730 -9.160 1.00 0.00 H new ATOM 0 HA VAL A 69 8.186 -2.348 -6.969 1.00 0.00 H new ATOM 0 HB VAL A 69 5.959 -0.324 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.703 -0.177 -4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.093 -1.800 -4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.845 -1.513 -4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.782 1.253 -6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.984 0.001 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.934 0.655 -7.761 1.00 0.00 H new ATOM 782 N GLN A 70 6.335 -4.102 -6.350 1.00 0.00 N ATOM 783 CA GLN A 70 5.282 -5.093 -6.136 1.00 0.00 C ATOM 784 C GLN A 70 4.783 -4.906 -4.727 1.00 0.00 C ATOM 785 O GLN A 70 5.606 -4.423 -3.971 1.00 0.00 O ATOM 786 CB GLN A 70 5.848 -6.503 -6.449 1.00 0.00 C ATOM 787 CG GLN A 70 5.054 -7.637 -5.762 1.00 0.00 C ATOM 788 CD GLN A 70 5.614 -8.980 -6.173 1.00 0.00 C ATOM 789 OE1 GLN A 70 5.447 -9.346 -7.326 1.00 0.00 O ATOM 790 NE2 GLN A 70 6.283 -9.738 -5.271 1.00 0.00 N ATOM 0 H GLN A 70 7.236 -4.338 -5.933 1.00 0.00 H new ATOM 0 HA GLN A 70 4.427 -4.972 -6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.838 -6.661 -7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.889 -6.550 -6.129 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.109 -7.527 -4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.001 -7.573 -6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.406 -9.404 -4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.664 -10.643 -5.548 1.00 0.00 H new ATOM 799 N ALA A 71 3.517 -5.239 -4.349 1.00 0.00 N ATOM 800 CA ALA A 71 3.005 -4.957 -3.010 1.00 0.00 C ATOM 801 C ALA A 71 2.143 -6.081 -2.491 1.00 0.00 C ATOM 802 O ALA A 71 0.972 -6.100 -2.820 1.00 0.00 O ATOM 803 CB ALA A 71 2.238 -3.617 -2.923 1.00 0.00 C ATOM 0 H ALA A 71 2.847 -5.701 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 71 3.887 -4.869 -2.375 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.884 -3.466 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.902 -2.799 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.387 -3.640 -3.603 1.00 0.00 H new ATOM 809 N ILE A 72 2.698 -7.014 -1.679 1.00 0.00 N ATOM 810 CA ILE A 72 1.953 -8.213 -1.313 1.00 0.00 C ATOM 811 C ILE A 72 1.568 -8.173 0.144 1.00 0.00 C ATOM 812 O ILE A 72 2.223 -7.450 0.879 1.00 0.00 O ATOM 813 CB ILE A 72 2.787 -9.481 -1.710 1.00 0.00 C ATOM 814 CG1 ILE A 72 2.237 -10.140 -3.005 1.00 0.00 C ATOM 815 CG2 ILE A 72 2.877 -10.540 -0.573 1.00 0.00 C ATOM 816 CD1 ILE A 72 2.632 -9.382 -4.294 1.00 0.00 C ATOM 0 H ILE A 72 3.635 -6.951 -1.281 1.00 0.00 H new ATOM 0 HA ILE A 72 1.014 -8.261 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 72 3.799 -9.119 -1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.605 -11.164 -3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.150 -10.195 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.467 -11.391 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.352 -10.096 0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.874 -10.877 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.215 -9.896 -5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.241 -8.365 -4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.718 -9.350 -4.379 1.00 0.00 H new ATOM 828 N PHE A 73 0.525 -8.950 0.545 1.00 0.00 N ATOM 829 CA PHE A 73 0.196 -9.091 1.962 1.00 0.00 C ATOM 830 C PHE A 73 0.338 -10.548 2.372 1.00 0.00 C ATOM 831 O PHE A 73 1.132 -10.828 3.257 1.00 0.00 O ATOM 832 CB PHE A 73 -1.218 -8.544 2.308 1.00 0.00 C ATOM 833 CG PHE A 73 -1.751 -7.604 1.220 1.00 0.00 C ATOM 834 CD1 PHE A 73 -1.179 -6.352 1.027 1.00 0.00 C ATOM 835 CD2 PHE A 73 -2.826 -7.983 0.408 1.00 0.00 C ATOM 836 CE1 PHE A 73 -1.577 -5.538 -0.037 1.00 0.00 C ATOM 837 CE2 PHE A 73 -3.261 -7.164 -0.635 1.00 0.00 C ATOM 838 CZ PHE A 73 -2.556 -5.992 -0.916 1.00 0.00 C ATOM 0 H PHE A 73 -0.081 -9.471 -0.088 1.00 0.00 H new ATOM 0 HA PHE A 73 0.900 -8.483 2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.908 -9.378 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.179 -8.013 3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.417 -6.004 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.326 -8.923 0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.129 -4.565 -0.176 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.130 -7.433 -1.216 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.771 -5.437 -1.817 1.00 0.00 H new ATOM 848 N GLY A 74 -0.418 -11.484 1.740 1.00 0.00 N ATOM 849 CA GLY A 74 -0.314 -12.898 2.094 1.00 0.00 C ATOM 850 C GLY A 74 -1.325 -13.252 3.161 1.00 0.00 C ATOM 851 O GLY A 74 -0.899 -13.508 4.275 1.00 0.00 O ATOM 0 H GLY A 74 -1.089 -11.277 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.479 -13.514 1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.692 -13.117 2.451 1.00 0.00 H new ATOM 855 N THR A 75 -2.641 -13.274 2.829 1.00 0.00 N ATOM 856 CA THR A 75 -3.692 -13.617 3.797 1.00 0.00 C ATOM 857 C THR A 75 -3.766 -12.668 4.979 1.00 0.00 C ATOM 858 O THR A 75 -4.811 -12.057 5.154 1.00 0.00 O ATOM 859 CB THR A 75 -3.663 -15.111 4.222 1.00 0.00 C ATOM 860 OG1 THR A 75 -4.209 -15.870 3.127 1.00 0.00 O ATOM 861 CG2 THR A 75 -4.497 -15.346 5.512 1.00 0.00 C ATOM 0 H THR A 75 -2.991 -13.057 1.896 1.00 0.00 H new ATOM 0 HA THR A 75 -4.629 -13.476 3.259 1.00 0.00 H new ATOM 0 HB THR A 75 -2.642 -15.421 4.445 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.207 -16.823 3.356 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.457 -16.401 5.784 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.087 -14.746 6.325 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.532 -15.056 5.334 1.00 0.00 H new ATOM 869 N LYS A 76 -2.699 -12.518 5.805 1.00 0.00 N ATOM 870 CA LYS A 76 -2.726 -11.520 6.873 1.00 0.00 C ATOM 871 C LYS A 76 -3.284 -10.205 6.386 1.00 0.00 C ATOM 872 O LYS A 76 -3.704 -9.444 7.243 1.00 0.00 O ATOM 873 CB LYS A 76 -1.352 -11.255 7.542 1.00 0.00 C ATOM 874 CG LYS A 76 -0.342 -10.542 6.600 1.00 0.00 C ATOM 875 CD LYS A 76 1.091 -10.476 7.206 1.00 0.00 C ATOM 876 CE LYS A 76 1.238 -9.663 8.533 1.00 0.00 C ATOM 877 NZ LYS A 76 0.955 -8.210 8.476 1.00 0.00 N ATOM 0 H LYS A 76 -1.839 -13.064 5.746 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.377 -11.958 7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.500 -10.646 8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.926 -12.203 7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.306 -11.068 5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.693 -9.531 6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.434 -11.494 7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.759 -10.042 6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.575 -10.107 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.257 -9.794 8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.873 -7.834 9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.730 -7.725 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.063 -8.050 7.965 1.00 0.00 H new ATOM 891 N SER A 77 -3.312 -9.938 5.052 1.00 0.00 N ATOM 892 CA SER A 77 -4.092 -8.822 4.530 1.00 0.00 C ATOM 893 C SER A 77 -5.248 -8.567 5.451 1.00 0.00 C ATOM 894 O SER A 77 -5.338 -7.457 5.925 1.00 0.00 O ATOM 895 CB SER A 77 -4.756 -9.016 3.136 1.00 0.00 C ATOM 896 OG SER A 77 -4.872 -7.717 2.524 1.00 0.00 O ATOM 0 H SER A 77 -2.810 -10.477 4.346 1.00 0.00 H new ATOM 0 HA SER A 77 -3.356 -8.022 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.155 -9.680 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.737 -9.479 3.240 1.00 0.00 H new ATOM 0 HG SER A 77 -4.344 -7.696 1.699 1.00 0.00 H new ATOM 902 N ASP A 78 -6.124 -9.557 5.725 1.00 0.00 N ATOM 903 CA ASP A 78 -7.321 -9.274 6.512 1.00 0.00 C ATOM 904 C ASP A 78 -6.976 -8.534 7.787 1.00 0.00 C ATOM 905 O ASP A 78 -7.575 -7.501 8.037 1.00 0.00 O ATOM 906 CB ASP A 78 -8.107 -10.572 6.828 1.00 0.00 C ATOM 907 CG ASP A 78 -8.562 -11.240 5.552 1.00 0.00 C ATOM 908 OD1 ASP A 78 -7.702 -11.461 4.655 1.00 0.00 O ATOM 909 OD2 ASP A 78 -9.779 -11.547 5.432 1.00 0.00 O ATOM 0 H ASP A 78 -6.023 -10.525 5.420 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.962 -8.630 5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.478 -11.255 7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.970 -10.339 7.451 1.00 0.00 H new ATOM 914 N ASN A 79 -6.015 -9.021 8.605 1.00 0.00 N ATOM 915 CA ASN A 79 -5.653 -8.296 9.828 1.00 0.00 C ATOM 916 C ASN A 79 -5.362 -6.842 9.512 1.00 0.00 C ATOM 917 O ASN A 79 -5.847 -5.950 10.190 1.00 0.00 O ATOM 918 CB ASN A 79 -4.409 -8.930 10.507 1.00 0.00 C ATOM 919 CG ASN A 79 -4.038 -8.173 11.760 1.00 0.00 C ATOM 920 OD1 ASN A 79 -4.443 -8.585 12.838 1.00 0.00 O ATOM 921 ND2 ASN A 79 -3.278 -7.059 11.656 1.00 0.00 N ATOM 0 H ASN A 79 -5.496 -9.884 8.443 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.498 -8.360 10.513 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.615 -9.972 10.754 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.569 -8.927 9.813 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.025 -6.534 12.493 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.957 -6.744 10.740 1.00 0.00 H new ATOM 928 N LEU A 80 -4.553 -6.608 8.458 1.00 0.00 N ATOM 929 CA LEU A 80 -4.262 -5.242 8.013 1.00 0.00 C ATOM 930 C LEU A 80 -5.560 -4.595 7.563 1.00 0.00 C ATOM 931 O LEU A 80 -5.933 -3.555 8.073 1.00 0.00 O ATOM 932 CB LEU A 80 -3.158 -5.274 6.900 1.00 0.00 C ATOM 933 CG LEU A 80 -3.219 -4.147 5.827 1.00 0.00 C ATOM 934 CD1 LEU A 80 -2.606 -2.826 6.364 1.00 0.00 C ATOM 935 CD2 LEU A 80 -2.487 -4.598 4.533 1.00 0.00 C ATOM 0 H LEU A 80 -4.099 -7.339 7.911 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.859 -4.635 8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.183 -5.230 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.217 -6.235 6.389 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.267 -3.958 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.663 -2.058 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.161 -2.499 7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.563 -2.992 6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.537 -3.802 3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.444 -4.816 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.966 -5.493 4.137 1.00 0.00 H new ATOM 947 N LYS A 81 -6.280 -5.185 6.588 1.00 0.00 N ATOM 948 CA LYS A 81 -7.417 -4.539 5.940 1.00 0.00 C ATOM 949 C LYS A 81 -8.465 -4.190 6.970 1.00 0.00 C ATOM 950 O LYS A 81 -9.129 -3.180 6.824 1.00 0.00 O ATOM 951 CB LYS A 81 -7.994 -5.435 4.801 1.00 0.00 C ATOM 952 CG LYS A 81 -8.865 -4.674 3.751 1.00 0.00 C ATOM 953 CD LYS A 81 -10.378 -5.042 3.772 1.00 0.00 C ATOM 954 CE LYS A 81 -11.105 -4.554 5.052 1.00 0.00 C ATOM 955 NZ LYS A 81 -12.565 -4.792 4.990 1.00 0.00 N ATOM 0 H LYS A 81 -6.082 -6.121 6.235 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.081 -3.613 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.166 -5.920 4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.597 -6.225 5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.763 -3.602 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.469 -4.876 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.863 -4.608 2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.484 -6.124 3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.691 -5.066 5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.918 -3.489 5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.010 -4.451 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.966 -4.282 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.747 -5.811 4.884 1.00 0.00 H new ATOM 969 N THR A 82 -8.636 -4.999 8.037 1.00 0.00 N ATOM 970 CA THR A 82 -9.621 -4.670 9.064 1.00 0.00 C ATOM 971 C THR A 82 -9.139 -3.439 9.797 1.00 0.00 C ATOM 972 O THR A 82 -9.903 -2.497 9.947 1.00 0.00 O ATOM 973 CB THR A 82 -9.759 -5.840 10.074 1.00 0.00 C ATOM 974 OG1 THR A 82 -8.429 -6.154 10.517 1.00 0.00 O ATOM 975 CG2 THR A 82 -10.433 -7.073 9.412 1.00 0.00 C ATOM 0 H THR A 82 -8.115 -5.861 8.200 1.00 0.00 H new ATOM 0 HA THR A 82 -10.591 -4.493 8.600 1.00 0.00 H new ATOM 0 HB THR A 82 -10.394 -5.558 10.914 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.000 -6.750 9.868 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.517 -7.878 10.142 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.427 -6.798 9.059 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.829 -7.409 8.570 1.00 0.00 H new ATOM 983 N GLU A 83 -7.865 -3.431 10.263 1.00 0.00 N ATOM 984 CA GLU A 83 -7.351 -2.238 10.941 1.00 0.00 C ATOM 985 C GLU A 83 -7.501 -1.076 9.981 1.00 0.00 C ATOM 986 O GLU A 83 -7.804 0.026 10.410 1.00 0.00 O ATOM 987 CB GLU A 83 -5.904 -2.404 11.520 1.00 0.00 C ATOM 988 CG GLU A 83 -4.762 -1.839 10.627 1.00 0.00 C ATOM 989 CD GLU A 83 -3.387 -2.199 11.136 1.00 0.00 C ATOM 990 OE1 GLU A 83 -3.150 -3.410 11.404 1.00 0.00 O ATOM 991 OE2 GLU A 83 -2.530 -1.282 11.264 1.00 0.00 O ATOM 0 H GLU A 83 -7.207 -4.206 10.183 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.937 -2.049 11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.860 -1.912 12.492 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.718 -3.464 11.691 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.879 -2.219 9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.852 -0.754 10.574 1.00 0.00 H new ATOM 998 N MET A 84 -7.316 -1.320 8.660 1.00 0.00 N ATOM 999 CA MET A 84 -7.485 -0.254 7.689 1.00 0.00 C ATOM 1000 C MET A 84 -8.908 0.247 7.662 1.00 0.00 C ATOM 1001 O MET A 84 -9.098 1.448 7.766 1.00 0.00 O ATOM 1002 CB MET A 84 -7.134 -0.652 6.235 1.00 0.00 C ATOM 1003 CG MET A 84 -5.619 -0.922 6.048 1.00 0.00 C ATOM 1004 SD MET A 84 -5.224 -0.637 4.303 1.00 0.00 S ATOM 1005 CE MET A 84 -5.235 1.184 4.316 1.00 0.00 C ATOM 0 H MET A 84 -7.057 -2.225 8.268 1.00 0.00 H new ATOM 0 HA MET A 84 -6.787 0.513 8.025 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.696 -1.544 5.959 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.445 0.143 5.558 1.00 0.00 H new ATOM 0 HG2 MET A 84 -5.031 -0.263 6.686 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.374 -1.945 6.334 1.00 0.00 H new ATOM 0 HE1 MET A 84 -5.402 1.554 3.304 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.033 1.538 4.968 1.00 0.00 H new ATOM 0 HE3 MET A 84 -4.277 1.551 4.683 1.00 0.00 H new ATOM 1015 N ASP A 85 -9.908 -0.648 7.486 1.00 0.00 N ATOM 1016 CA ASP A 85 -11.296 -0.202 7.381 1.00 0.00 C ATOM 1017 C ASP A 85 -11.533 0.880 8.406 1.00 0.00 C ATOM 1018 O ASP A 85 -11.911 1.983 8.044 1.00 0.00 O ATOM 1019 CB ASP A 85 -12.301 -1.368 7.586 1.00 0.00 C ATOM 1020 CG ASP A 85 -13.704 -0.825 7.686 1.00 0.00 C ATOM 1021 OD1 ASP A 85 -14.244 -0.383 6.635 1.00 0.00 O ATOM 1022 OD2 ASP A 85 -14.269 -0.828 8.815 1.00 0.00 O ATOM 0 H ASP A 85 -9.775 -1.657 7.416 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.462 0.184 6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.232 -2.070 6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.050 -1.921 8.491 1.00 0.00 H new ATOM 1027 N GLU A 86 -11.268 0.569 9.695 1.00 0.00 N ATOM 1028 CA GLU A 86 -11.404 1.583 10.736 1.00 0.00 C ATOM 1029 C GLU A 86 -10.606 2.810 10.364 1.00 0.00 C ATOM 1030 O GLU A 86 -11.178 3.886 10.357 1.00 0.00 O ATOM 1031 CB GLU A 86 -10.929 1.059 12.124 1.00 0.00 C ATOM 1032 CG GLU A 86 -12.076 0.339 12.893 1.00 0.00 C ATOM 1033 CD GLU A 86 -12.704 1.293 13.882 1.00 0.00 C ATOM 1034 OE1 GLU A 86 -13.508 2.165 13.450 1.00 0.00 O ATOM 1035 OE2 GLU A 86 -12.384 1.188 15.098 1.00 0.00 O ATOM 0 H GLU A 86 -10.968 -0.350 10.021 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.462 1.833 10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.095 0.371 11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.559 1.893 12.720 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.829 -0.019 12.191 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.685 -0.535 13.414 1.00 0.00 H new ATOM 1042 N TYR A 87 -9.294 2.681 10.067 1.00 0.00 N ATOM 1043 CA TYR A 87 -8.507 3.874 9.759 1.00 0.00 C ATOM 1044 C TYR A 87 -9.140 4.759 8.697 1.00 0.00 C ATOM 1045 O TYR A 87 -9.239 5.952 8.931 1.00 0.00 O ATOM 1046 CB TYR A 87 -7.072 3.530 9.283 1.00 0.00 C ATOM 1047 CG TYR A 87 -6.041 3.419 10.422 1.00 0.00 C ATOM 1048 CD1 TYR A 87 -5.745 4.511 11.237 1.00 0.00 C ATOM 1049 CD2 TYR A 87 -5.362 2.209 10.640 1.00 0.00 C ATOM 1050 CE1 TYR A 87 -4.740 4.416 12.218 1.00 0.00 C ATOM 1051 CE2 TYR A 87 -4.337 2.126 11.572 1.00 0.00 C ATOM 1052 CZ TYR A 87 -4.000 3.248 12.354 1.00 0.00 C ATOM 1053 OH TYR A 87 -2.922 3.155 13.241 1.00 0.00 O ATOM 0 H TYR A 87 -8.783 1.799 10.036 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.472 4.416 10.704 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.098 2.586 8.738 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.741 4.295 8.581 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.290 5.435 11.115 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.641 1.332 10.075 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.543 5.255 12.868 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.797 1.199 11.698 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.534 2.256 13.191 1.00 0.00 H new ATOM 1063 N ILE A 88 -9.552 4.233 7.516 1.00 0.00 N ATOM 1064 CA ILE A 88 -10.069 5.134 6.479 1.00 0.00 C ATOM 1065 C ILE A 88 -11.348 5.748 7.003 1.00 0.00 C ATOM 1066 O ILE A 88 -11.524 6.951 6.894 1.00 0.00 O ATOM 1067 CB ILE A 88 -10.318 4.494 5.077 1.00 0.00 C ATOM 1068 CG1 ILE A 88 -9.145 3.571 4.604 1.00 0.00 C ATOM 1069 CG2 ILE A 88 -10.575 5.609 4.019 1.00 0.00 C ATOM 1070 CD1 ILE A 88 -9.611 2.101 4.440 1.00 0.00 C ATOM 0 H ILE A 88 -9.536 3.242 7.274 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.289 5.872 6.294 1.00 0.00 H new ATOM 0 HB ILE A 88 -11.199 3.859 5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.752 3.937 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.330 3.617 5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -10.748 5.153 3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -11.451 6.190 4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.706 6.265 3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -8.772 1.488 4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -9.980 1.728 5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.409 2.053 3.699 1.00 0.00 H new ATOM 1082 N ARG A 89 -12.247 4.929 7.593 1.00 0.00 N ATOM 1083 CA ARG A 89 -13.470 5.488 8.167 1.00 0.00 C ATOM 1084 C ARG A 89 -13.146 6.501 9.255 1.00 0.00 C ATOM 1085 O ARG A 89 -13.880 7.463 9.413 1.00 0.00 O ATOM 1086 CB ARG A 89 -14.370 4.353 8.730 1.00 0.00 C ATOM 1087 CG ARG A 89 -14.786 3.319 7.632 1.00 0.00 C ATOM 1088 CD ARG A 89 -16.326 3.132 7.590 1.00 0.00 C ATOM 1089 NE ARG A 89 -16.822 2.733 8.910 1.00 0.00 N ATOM 1090 CZ ARG A 89 -18.067 2.895 9.309 1.00 0.00 C ATOM 1091 NH1 ARG A 89 -19.019 3.344 8.523 1.00 0.00 N ATOM 1092 NH2 ARG A 89 -18.370 2.595 10.551 1.00 0.00 N ATOM 0 H ARG A 89 -12.148 3.917 7.678 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.013 6.004 7.376 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -13.840 3.836 9.530 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.266 4.789 9.172 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.432 3.657 6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -14.306 2.361 7.831 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -16.804 4.061 7.279 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -16.588 2.375 6.851 1.00 0.00 H new ATOM 0 HE ARG A 89 -16.163 2.304 9.559 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -18.809 3.585 7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -19.968 3.451 8.881 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -17.649 2.246 11.182 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -19.327 2.711 10.885 1.00 0.00 H new ATOM 1106 N ASN A 90 -12.040 6.298 10.010 1.00 0.00 N ATOM 1107 CA ASN A 90 -11.623 7.244 11.050 1.00 0.00 C ATOM 1108 C ASN A 90 -10.996 8.485 10.452 1.00 0.00 C ATOM 1109 O ASN A 90 -10.971 9.497 11.133 1.00 0.00 O ATOM 1110 CB ASN A 90 -10.574 6.573 11.983 1.00 0.00 C ATOM 1111 CG ASN A 90 -10.016 7.481 13.057 1.00 0.00 C ATOM 1112 OD1 ASN A 90 -10.767 8.258 13.625 1.00 0.00 O ATOM 1113 ND2 ASN A 90 -8.699 7.398 13.365 1.00 0.00 N ATOM 0 H ASN A 90 -11.428 5.488 9.912 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.514 7.528 11.609 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.032 5.707 12.460 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.749 6.203 11.374 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -8.307 7.996 14.092 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -8.100 6.737 12.870 1.00 0.00 H new ATOM 1120 N PHE A 91 -10.477 8.427 9.200 1.00 0.00 N ATOM 1121 CA PHE A 91 -9.760 9.568 8.625 1.00 0.00 C ATOM 1122 C PHE A 91 -10.298 9.856 7.237 1.00 0.00 C ATOM 1123 O PHE A 91 -9.524 10.192 6.353 1.00 0.00 O ATOM 1124 CB PHE A 91 -8.259 9.162 8.634 1.00 0.00 C ATOM 1125 CG PHE A 91 -7.298 10.267 9.089 1.00 0.00 C ATOM 1126 CD1 PHE A 91 -7.181 10.538 10.458 1.00 0.00 C ATOM 1127 CD2 PHE A 91 -6.520 10.988 8.175 1.00 0.00 C ATOM 1128 CE1 PHE A 91 -6.247 11.472 10.917 1.00 0.00 C ATOM 1129 CE2 PHE A 91 -5.591 11.929 8.632 1.00 0.00 C ATOM 1130 CZ PHE A 91 -5.447 12.165 10.004 1.00 0.00 C ATOM 0 H PHE A 91 -10.545 7.614 8.588 1.00 0.00 H new ATOM 0 HA PHE A 91 -9.892 10.492 9.187 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.134 8.299 9.288 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.977 8.845 7.630 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.816 10.023 11.163 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.637 10.817 7.115 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.144 11.658 11.976 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.984 12.474 7.925 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.719 12.881 10.357 1.00 0.00 H new ATOM 1140 N GLY A 92 -11.633 9.718 7.044 1.00 0.00 N ATOM 1141 CA GLY A 92 -12.231 9.904 5.723 1.00 0.00 C ATOM 1142 C GLY A 92 -13.531 10.646 5.860 1.00 0.00 C ATOM 1143 O GLY A 92 -14.330 10.334 6.728 1.00 0.00 O ATOM 0 H GLY A 92 -12.297 9.482 7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.549 10.459 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.400 8.937 5.250 1.00 0.00 H new TER 1147 GLY A 92