USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 608 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 44 ASN : amide:sc= -1.24 K(o=-1.3,f=-7!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -132:sc= -0.0222 (180deg=-1.39!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 156:sc= 0.777 (180deg=-1.43) USER MOD Single : A 9 THR OG1 : rot -150:sc= -0.166 USER MOD Single : A 10 SER OG : rot 169:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.177 K(o=0.18,f=-3.1!) USER MOD Single : A 42 MET CE :methyl 167:sc= -0.0371 (180deg=-0.277) USER MOD Single : A 46 GLN : amide:sc= -1.15 K(o=-1.1,f=-2.3) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 171:sc= 1.14 USER MOD Single : A 54 MET CE :methyl 173:sc=-0.00659 (180deg=-0.153) USER MOD Single : A 58 THR OG1 : rot -80:sc= 0.667 USER MOD Single : A 62 ASN : amide:sc= -0.054 K(o=-0.054,f=-1.5) USER MOD Single : A 72 THR OG1 : rot 95:sc= 1.37 USER MOD Single : A 73 LYS NZ :NH3+ -124:sc= -2.35 (180deg=-6.32!) USER MOD Single : A 81 LYS NZ :NH3+ -102:sc= 0.419 (180deg=-0.738!) USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= 2.1 (180deg=1.27) USER MOD ----------------------------------------------------------------- ATOM 31 N LYS A 2 4.289 -8.829 11.050 1.00 0.00 N ATOM 32 CA LYS A 2 3.207 -7.890 10.758 1.00 0.00 C ATOM 33 C LYS A 2 3.594 -7.119 9.510 1.00 0.00 C ATOM 34 O LYS A 2 4.682 -6.544 9.456 1.00 0.00 O ATOM 35 CB LYS A 2 2.942 -7.001 11.981 1.00 0.00 C ATOM 36 CG LYS A 2 1.753 -6.042 11.799 1.00 0.00 C ATOM 37 CD LYS A 2 1.130 -5.726 13.167 1.00 0.00 C ATOM 38 CE LYS A 2 0.080 -4.614 13.083 1.00 0.00 C ATOM 39 NZ LYS A 2 -0.832 -4.609 14.245 1.00 0.00 N ATOM 0 HA LYS A 2 2.265 -8.400 10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.757 -7.636 12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.838 -6.419 12.198 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.086 -5.122 11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.007 -6.492 11.144 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.670 -6.628 13.572 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.916 -5.430 13.862 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.582 -3.649 13.015 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.502 -4.736 12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.523 -3.839 14.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.333 -5.519 14.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.283 -4.466 15.117 1.00 0.00 H new ATOM 53 N VAL A 3 2.761 -7.179 8.482 1.00 0.00 N ATOM 54 CA VAL A 3 3.064 -6.661 7.161 1.00 0.00 C ATOM 55 C VAL A 3 2.397 -5.289 7.081 1.00 0.00 C ATOM 56 O VAL A 3 1.170 -5.191 7.171 1.00 0.00 O ATOM 57 CB VAL A 3 2.578 -7.682 6.107 1.00 0.00 C ATOM 58 CG1 VAL A 3 3.002 -7.300 4.687 1.00 0.00 C ATOM 59 CG2 VAL A 3 3.176 -9.075 6.378 1.00 0.00 C ATOM 0 H VAL A 3 1.834 -7.600 8.547 1.00 0.00 H new ATOM 0 HA VAL A 3 4.128 -6.529 6.966 1.00 0.00 H new ATOM 0 HB VAL A 3 1.491 -7.688 6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.636 -8.049 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.583 -6.327 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.090 -7.252 4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.820 -9.777 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.264 -9.018 6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.868 -9.417 7.366 1.00 0.00 H new ATOM 69 N LYS A 4 3.186 -4.212 7.000 1.00 0.00 N ATOM 70 CA LYS A 4 2.653 -2.874 6.755 1.00 0.00 C ATOM 71 C LYS A 4 2.367 -2.715 5.273 1.00 0.00 C ATOM 72 O LYS A 4 3.182 -3.112 4.444 1.00 0.00 O ATOM 73 CB LYS A 4 3.652 -1.790 7.191 1.00 0.00 C ATOM 74 CG LYS A 4 4.160 -1.923 8.632 1.00 0.00 C ATOM 75 CD LYS A 4 3.080 -2.184 9.693 1.00 0.00 C ATOM 76 CE LYS A 4 2.153 -1.003 10.051 1.00 0.00 C ATOM 77 NZ LYS A 4 1.327 -0.468 8.942 1.00 0.00 N ATOM 0 H LYS A 4 4.200 -4.245 7.102 1.00 0.00 H new ATOM 0 HA LYS A 4 1.738 -2.757 7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.508 -1.812 6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.180 -0.814 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.885 -2.736 8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.692 -1.009 8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.459 -3.011 9.348 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.574 -2.516 10.606 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.487 -1.319 10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.766 -0.192 10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.487 0.006 9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.885 0.215 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.028 -1.249 8.324 1.00 0.00 H new ATOM 91 N ILE A 5 1.246 -2.099 4.933 1.00 0.00 N ATOM 92 CA ILE A 5 0.931 -1.672 3.585 1.00 0.00 C ATOM 93 C ILE A 5 0.389 -0.259 3.756 1.00 0.00 C ATOM 94 O ILE A 5 -0.409 -0.019 4.662 1.00 0.00 O ATOM 95 CB ILE A 5 -0.091 -2.628 2.937 1.00 0.00 C ATOM 96 CG1 ILE A 5 0.447 -4.061 2.709 1.00 0.00 C ATOM 97 CG2 ILE A 5 -0.599 -2.090 1.588 1.00 0.00 C ATOM 98 CD1 ILE A 5 0.243 -4.996 3.909 1.00 0.00 C ATOM 0 H ILE A 5 0.513 -1.878 5.607 1.00 0.00 H new ATOM 0 HA ILE A 5 1.792 -1.686 2.916 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.905 -2.680 3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.047 -4.490 1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.511 -4.007 2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.317 -2.792 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.082 -1.125 1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.241 -1.972 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.645 -5.982 3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.760 -4.590 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.822 -5.081 4.127 1.00 0.00 H new ATOM 110 N GLU A 6 0.784 0.671 2.895 1.00 0.00 N ATOM 111 CA GLU A 6 0.264 2.038 2.916 1.00 0.00 C ATOM 112 C GLU A 6 0.001 2.429 1.474 1.00 0.00 C ATOM 113 O GLU A 6 0.724 1.988 0.576 1.00 0.00 O ATOM 114 CB GLU A 6 1.236 3.040 3.563 1.00 0.00 C ATOM 115 CG GLU A 6 1.665 2.674 4.992 1.00 0.00 C ATOM 116 CD GLU A 6 2.890 3.459 5.463 1.00 0.00 C ATOM 117 OE1 GLU A 6 3.098 4.623 5.042 1.00 0.00 O ATOM 118 OE2 GLU A 6 3.649 2.889 6.280 1.00 0.00 O ATOM 0 H GLU A 6 1.473 0.502 2.162 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.642 2.066 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.126 3.120 2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.768 4.024 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.836 2.860 5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.883 1.607 5.039 1.00 0.00 H new ATOM 125 N LEU A 7 -1.019 3.250 1.241 1.00 0.00 N ATOM 126 CA LEU A 7 -1.458 3.592 -0.097 1.00 0.00 C ATOM 127 C LEU A 7 -1.764 5.075 -0.167 1.00 0.00 C ATOM 128 O LEU A 7 -2.919 5.489 -0.061 1.00 0.00 O ATOM 129 CB LEU A 7 -2.645 2.693 -0.483 1.00 0.00 C ATOM 130 CG LEU A 7 -2.659 2.371 -1.984 1.00 0.00 C ATOM 131 CD1 LEU A 7 -1.447 1.528 -2.395 1.00 0.00 C ATOM 132 CD2 LEU A 7 -3.913 1.563 -2.279 1.00 0.00 C ATOM 0 H LEU A 7 -1.562 3.695 1.981 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.673 3.407 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.597 1.765 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.578 3.187 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.632 3.309 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.493 1.321 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.531 2.074 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.454 0.588 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.948 1.320 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.898 0.642 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.794 2.147 -2.011 1.00 0.00 H new ATOM 144 N PHE A 8 -0.707 5.867 -0.314 1.00 0.00 N ATOM 145 CA PHE A 8 -0.773 7.307 -0.430 1.00 0.00 C ATOM 146 C PHE A 8 -0.868 7.658 -1.908 1.00 0.00 C ATOM 147 O PHE A 8 0.120 7.677 -2.640 1.00 0.00 O ATOM 148 CB PHE A 8 0.405 7.933 0.322 1.00 0.00 C ATOM 149 CG PHE A 8 0.373 9.444 0.397 1.00 0.00 C ATOM 150 CD1 PHE A 8 -0.537 10.078 1.261 1.00 0.00 C ATOM 151 CD2 PHE A 8 1.306 10.220 -0.315 1.00 0.00 C ATOM 152 CE1 PHE A 8 -0.515 11.473 1.410 1.00 0.00 C ATOM 153 CE2 PHE A 8 1.335 11.614 -0.161 1.00 0.00 C ATOM 154 CZ PHE A 8 0.414 12.245 0.694 1.00 0.00 C ATOM 0 H PHE A 8 0.246 5.506 -0.356 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.661 7.728 0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.426 7.532 1.335 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.332 7.626 -0.162 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.255 9.489 1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.004 9.739 -0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.215 11.954 2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.064 12.202 -0.699 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.421 13.320 0.800 1.00 0.00 H new ATOM 164 N THR A 9 -2.096 7.880 -2.363 1.00 0.00 N ATOM 165 CA THR A 9 -2.469 8.316 -3.701 1.00 0.00 C ATOM 166 C THR A 9 -3.994 8.459 -3.714 1.00 0.00 C ATOM 167 O THR A 9 -4.669 8.157 -2.731 1.00 0.00 O ATOM 168 CB THR A 9 -1.868 7.410 -4.806 1.00 0.00 C ATOM 169 OG1 THR A 9 -2.341 7.766 -6.093 1.00 0.00 O ATOM 170 CG2 THR A 9 -1.988 5.891 -4.614 1.00 0.00 C ATOM 0 H THR A 9 -2.912 7.751 -1.765 1.00 0.00 H new ATOM 0 HA THR A 9 -2.037 9.287 -3.944 1.00 0.00 H new ATOM 0 HB THR A 9 -0.802 7.614 -4.712 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.361 6.971 -6.666 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.527 5.380 -5.459 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.482 5.600 -3.694 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.040 5.614 -4.553 1.00 0.00 H new ATOM 178 N SER A 10 -4.538 8.962 -4.816 1.00 0.00 N ATOM 179 CA SER A 10 -5.958 8.984 -5.106 1.00 0.00 C ATOM 180 C SER A 10 -6.135 8.630 -6.592 1.00 0.00 C ATOM 181 O SER A 10 -6.584 9.463 -7.384 1.00 0.00 O ATOM 182 CB SER A 10 -6.526 10.350 -4.695 1.00 0.00 C ATOM 183 OG SER A 10 -6.967 10.322 -3.359 1.00 0.00 O ATOM 0 H SER A 10 -3.976 9.381 -5.557 1.00 0.00 H new ATOM 0 HA SER A 10 -6.524 8.247 -4.536 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.762 11.118 -4.815 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.354 10.618 -5.351 1.00 0.00 H new ATOM 0 HG SER A 10 -7.157 11.235 -3.058 1.00 0.00 H new ATOM 274 N PRO A 17 -10.760 0.798 -7.430 1.00 0.00 N ATOM 275 CA PRO A 17 -10.825 0.591 -5.991 1.00 0.00 C ATOM 276 C PRO A 17 -9.458 0.166 -5.433 1.00 0.00 C ATOM 277 O PRO A 17 -9.233 -1.000 -5.112 1.00 0.00 O ATOM 278 CB PRO A 17 -11.969 -0.412 -5.816 1.00 0.00 C ATOM 279 CG PRO A 17 -11.841 -1.297 -7.053 1.00 0.00 C ATOM 280 CD PRO A 17 -11.433 -0.291 -8.130 1.00 0.00 C ATOM 0 HA PRO A 17 -11.038 1.488 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -11.865 -0.987 -4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.938 0.085 -5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.091 -2.077 -6.920 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -12.780 -1.795 -7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.771 -0.752 -8.863 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.305 0.074 -8.673 1.00 0.00 H new ATOM 288 N ALA A 18 -8.557 1.148 -5.327 1.00 0.00 N ATOM 289 CA ALA A 18 -7.130 1.011 -5.069 1.00 0.00 C ATOM 290 C ALA A 18 -6.833 0.130 -3.854 1.00 0.00 C ATOM 291 O ALA A 18 -6.432 -1.024 -4.027 1.00 0.00 O ATOM 292 CB ALA A 18 -6.516 2.411 -4.944 1.00 0.00 C ATOM 0 H ALA A 18 -8.830 2.126 -5.427 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.667 0.493 -5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.447 2.323 -4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.673 2.961 -5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.991 2.945 -4.121 1.00 0.00 H new ATOM 298 N ALA A 19 -7.021 0.644 -2.625 1.00 0.00 N ATOM 299 CA ALA A 19 -6.710 -0.173 -1.465 1.00 0.00 C ATOM 300 C ALA A 19 -7.564 -1.423 -1.443 1.00 0.00 C ATOM 301 O ALA A 19 -7.024 -2.436 -1.050 1.00 0.00 O ATOM 302 CB ALA A 19 -6.803 0.578 -0.135 1.00 0.00 C ATOM 0 H ALA A 19 -7.372 1.581 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.663 -0.457 -1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.557 -0.099 0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.102 1.413 -0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.817 0.956 -0.001 1.00 0.00 H new ATOM 308 N LYS A 20 -8.819 -1.416 -1.911 1.00 0.00 N ATOM 309 CA LYS A 20 -9.629 -2.640 -1.906 1.00 0.00 C ATOM 310 C LYS A 20 -8.864 -3.774 -2.589 1.00 0.00 C ATOM 311 O LYS A 20 -8.697 -4.823 -1.971 1.00 0.00 O ATOM 312 CB LYS A 20 -11.012 -2.440 -2.536 1.00 0.00 C ATOM 313 CG LYS A 20 -11.854 -1.302 -1.925 1.00 0.00 C ATOM 314 CD LYS A 20 -12.283 -1.560 -0.474 1.00 0.00 C ATOM 315 CE LYS A 20 -13.333 -2.675 -0.399 1.00 0.00 C ATOM 316 NZ LYS A 20 -13.494 -3.190 0.969 1.00 0.00 N ATOM 0 H LYS A 20 -9.288 -0.594 -2.291 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.810 -2.909 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.884 -2.244 -3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.571 -3.371 -2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.280 -0.376 -1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.744 -1.152 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.413 -1.835 0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.689 -0.645 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.290 -2.297 -0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.043 -3.491 -1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.213 -3.942 0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.588 -3.575 1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.796 -2.418 1.597 1.00 0.00 H new ATOM 330 N ARG A 21 -8.330 -3.555 -3.803 1.00 0.00 N ATOM 331 CA ARG A 21 -7.434 -4.571 -4.365 1.00 0.00 C ATOM 332 C ARG A 21 -6.238 -4.811 -3.471 1.00 0.00 C ATOM 333 O ARG A 21 -6.020 -5.961 -3.124 1.00 0.00 O ATOM 334 CB ARG A 21 -6.908 -4.279 -5.771 1.00 0.00 C ATOM 335 CG ARG A 21 -7.915 -4.679 -6.853 1.00 0.00 C ATOM 336 CD ARG A 21 -7.204 -4.989 -8.185 1.00 0.00 C ATOM 337 NE ARG A 21 -6.696 -6.376 -8.191 1.00 0.00 N ATOM 338 CZ ARG A 21 -5.470 -6.794 -7.840 1.00 0.00 C ATOM 339 NH1 ARG A 21 -4.437 -5.966 -7.737 1.00 0.00 N ATOM 340 NH2 ARG A 21 -5.290 -8.079 -7.558 1.00 0.00 N ATOM 0 H ARG A 21 -8.492 -2.732 -4.384 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.071 -5.453 -4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.682 -3.216 -5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.974 -4.818 -5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.478 -5.553 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.635 -3.874 -7.000 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.896 -4.845 -9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.379 -4.293 -8.334 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.350 -7.097 -8.496 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.560 -4.971 -7.928 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.521 -6.324 -7.467 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.076 -8.728 -7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.366 -8.418 -7.289 1.00 0.00 H new ATOM 354 N VAL A 22 -5.436 -3.792 -3.157 1.00 0.00 N ATOM 355 CA VAL A 22 -4.154 -4.041 -2.500 1.00 0.00 C ATOM 356 C VAL A 22 -4.356 -4.808 -1.170 1.00 0.00 C ATOM 357 O VAL A 22 -3.561 -5.690 -0.858 1.00 0.00 O ATOM 358 CB VAL A 22 -3.347 -2.726 -2.385 1.00 0.00 C ATOM 359 CG1 VAL A 22 -1.961 -2.934 -1.755 1.00 0.00 C ATOM 360 CG2 VAL A 22 -3.096 -2.078 -3.764 1.00 0.00 C ATOM 0 H VAL A 22 -5.644 -2.811 -3.342 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.541 -4.704 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.962 -2.085 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.440 -1.978 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.075 -3.344 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.384 -3.627 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.526 -1.158 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.534 -2.768 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.051 -1.850 -4.238 1.00 0.00 H new ATOM 370 N VAL A 23 -5.419 -4.555 -0.400 1.00 0.00 N ATOM 371 CA VAL A 23 -5.689 -5.260 0.840 1.00 0.00 C ATOM 372 C VAL A 23 -6.289 -6.650 0.591 1.00 0.00 C ATOM 373 O VAL A 23 -6.059 -7.538 1.412 1.00 0.00 O ATOM 374 CB VAL A 23 -6.545 -4.400 1.790 1.00 0.00 C ATOM 375 CG1 VAL A 23 -6.025 -2.964 1.954 1.00 0.00 C ATOM 376 CG2 VAL A 23 -8.034 -4.337 1.449 1.00 0.00 C ATOM 0 H VAL A 23 -6.117 -3.848 -0.629 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.736 -5.433 1.341 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.442 -4.938 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.676 -2.417 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.013 -2.987 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.016 -2.467 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.548 -3.708 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.161 -3.916 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.456 -5.342 1.476 1.00 0.00 H new ATOM 386 N GLU A 24 -7.050 -6.867 -0.490 1.00 0.00 N ATOM 387 CA GLU A 24 -7.461 -8.207 -0.920 1.00 0.00 C ATOM 388 C GLU A 24 -6.201 -9.035 -1.227 1.00 0.00 C ATOM 389 O GLU A 24 -6.058 -10.188 -0.804 1.00 0.00 O ATOM 390 CB GLU A 24 -8.382 -8.084 -2.158 1.00 0.00 C ATOM 391 CG GLU A 24 -9.175 -9.361 -2.452 1.00 0.00 C ATOM 392 CD GLU A 24 -10.234 -9.635 -1.382 1.00 0.00 C ATOM 393 OE1 GLU A 24 -11.298 -8.975 -1.376 1.00 0.00 O ATOM 394 OE2 GLU A 24 -10.032 -10.538 -0.541 1.00 0.00 O ATOM 0 H GLU A 24 -7.397 -6.118 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.022 -8.714 -0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.078 -7.260 -2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.777 -7.832 -3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.657 -9.273 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.491 -10.208 -2.511 1.00 0.00 H new ATOM 401 N GLU A 25 -5.269 -8.399 -1.937 1.00 0.00 N ATOM 402 CA GLU A 25 -4.015 -8.937 -2.419 1.00 0.00 C ATOM 403 C GLU A 25 -3.188 -9.457 -1.244 1.00 0.00 C ATOM 404 O GLU A 25 -2.839 -10.635 -1.226 1.00 0.00 O ATOM 405 CB GLU A 25 -3.278 -7.848 -3.219 1.00 0.00 C ATOM 406 CG GLU A 25 -2.245 -8.445 -4.162 1.00 0.00 C ATOM 407 CD GLU A 25 -2.898 -8.677 -5.531 1.00 0.00 C ATOM 408 OE1 GLU A 25 -3.580 -9.702 -5.734 1.00 0.00 O ATOM 409 OE2 GLU A 25 -2.849 -7.762 -6.382 1.00 0.00 O ATOM 0 H GLU A 25 -5.388 -7.422 -2.205 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.191 -9.782 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.000 -7.266 -3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.788 -7.160 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.392 -7.774 -4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.867 -9.385 -3.761 1.00 0.00 H new ATOM 416 N VAL A 26 -2.901 -8.621 -0.237 1.00 0.00 N ATOM 417 CA VAL A 26 -2.156 -9.124 0.921 1.00 0.00 C ATOM 418 C VAL A 26 -2.989 -10.039 1.813 1.00 0.00 C ATOM 419 O VAL A 26 -2.406 -10.943 2.406 1.00 0.00 O ATOM 420 CB VAL A 26 -1.469 -8.016 1.735 1.00 0.00 C ATOM 421 CG1 VAL A 26 -0.200 -7.600 0.998 1.00 0.00 C ATOM 422 CG2 VAL A 26 -2.343 -6.782 1.972 1.00 0.00 C ATOM 0 H VAL A 26 -3.161 -7.635 -0.199 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.359 -9.733 0.495 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.255 -8.428 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.305 -6.813 1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.463 -8.460 0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.460 -7.229 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.786 -6.048 2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.626 -6.347 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.241 -7.071 2.518 1.00 0.00 H new ATOM 432 N ALA A 27 -4.319 -9.895 1.899 1.00 0.00 N ATOM 433 CA ALA A 27 -5.117 -10.869 2.646 1.00 0.00 C ATOM 434 C ALA A 27 -5.015 -12.266 2.021 1.00 0.00 C ATOM 435 O ALA A 27 -5.173 -13.264 2.726 1.00 0.00 O ATOM 436 CB ALA A 27 -6.580 -10.440 2.726 1.00 0.00 C ATOM 0 H ALA A 27 -4.850 -9.135 1.473 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.712 -10.910 3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.147 -11.183 3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.649 -9.476 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.990 -10.355 1.720 1.00 0.00 H new ATOM 442 N ASN A 28 -4.705 -12.345 0.722 1.00 0.00 N ATOM 443 CA ASN A 28 -4.452 -13.608 0.031 1.00 0.00 C ATOM 444 C ASN A 28 -3.285 -14.422 0.608 1.00 0.00 C ATOM 445 O ASN A 28 -3.171 -15.604 0.291 1.00 0.00 O ATOM 446 CB ASN A 28 -4.174 -13.367 -1.461 1.00 0.00 C ATOM 447 CG ASN A 28 -4.729 -14.520 -2.275 1.00 0.00 C ATOM 448 OD1 ASN A 28 -5.934 -14.566 -2.514 1.00 0.00 O ATOM 449 ND2 ASN A 28 -3.903 -15.467 -2.681 1.00 0.00 N ATOM 0 H ASN A 28 -4.623 -11.526 0.119 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.362 -14.190 0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.631 -12.430 -1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.101 -13.272 -1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.260 -16.264 -3.208 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.908 -15.402 -2.468 1.00 0.00 H new ATOM 456 N GLU A 29 -2.409 -13.813 1.413 1.00 0.00 N ATOM 457 CA GLU A 29 -1.199 -14.444 1.948 1.00 0.00 C ATOM 458 C GLU A 29 -1.047 -14.208 3.455 1.00 0.00 C ATOM 459 O GLU A 29 -0.521 -15.055 4.183 1.00 0.00 O ATOM 460 CB GLU A 29 0.028 -13.895 1.188 1.00 0.00 C ATOM 461 CG GLU A 29 0.628 -14.929 0.230 1.00 0.00 C ATOM 462 CD GLU A 29 1.346 -16.041 1.003 1.00 0.00 C ATOM 463 OE1 GLU A 29 0.679 -16.981 1.486 1.00 0.00 O ATOM 464 OE2 GLU A 29 2.591 -16.003 1.156 1.00 0.00 O ATOM 0 H GLU A 29 -2.524 -12.846 1.717 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.277 -15.522 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.263 -13.008 0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.787 -13.583 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.161 -15.360 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.329 -14.440 -0.446 1.00 0.00 H new ATOM 471 N MET A 30 -1.523 -13.062 3.941 1.00 0.00 N ATOM 472 CA MET A 30 -1.446 -12.590 5.317 1.00 0.00 C ATOM 473 C MET A 30 -2.852 -12.180 5.766 1.00 0.00 C ATOM 474 O MET A 30 -3.106 -11.002 5.996 1.00 0.00 O ATOM 475 CB MET A 30 -0.421 -11.453 5.395 1.00 0.00 C ATOM 476 CG MET A 30 0.985 -12.009 5.164 1.00 0.00 C ATOM 477 SD MET A 30 1.924 -12.448 6.649 1.00 0.00 S ATOM 478 CE MET A 30 3.462 -12.971 5.846 1.00 0.00 C ATOM 0 H MET A 30 -2.006 -12.395 3.339 1.00 0.00 H new ATOM 0 HA MET A 30 -1.103 -13.368 5.999 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.649 -10.693 4.648 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.475 -10.968 6.370 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.904 -12.896 4.535 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.557 -11.271 4.602 1.00 0.00 H new ATOM 0 HE1 MET A 30 4.180 -13.284 6.604 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.257 -13.805 5.175 1.00 0.00 H new ATOM 0 HE3 MET A 30 3.876 -12.139 5.276 1.00 0.00 H new ATOM 488 N PRO A 31 -3.778 -13.138 5.913 1.00 0.00 N ATOM 489 CA PRO A 31 -5.198 -12.928 6.216 1.00 0.00 C ATOM 490 C PRO A 31 -5.473 -12.434 7.650 1.00 0.00 C ATOM 491 O PRO A 31 -6.520 -12.741 8.219 1.00 0.00 O ATOM 492 CB PRO A 31 -5.849 -14.291 5.932 1.00 0.00 C ATOM 493 CG PRO A 31 -4.728 -15.291 6.218 1.00 0.00 C ATOM 494 CD PRO A 31 -3.517 -14.549 5.673 1.00 0.00 C ATOM 0 HA PRO A 31 -5.612 -12.125 5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.714 -14.464 6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.197 -14.362 4.901 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.632 -15.507 7.282 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.888 -16.243 5.712 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.604 -14.869 6.175 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.383 -14.747 4.610 1.00 0.00 H new ATOM 502 N ASP A 32 -4.590 -11.642 8.259 1.00 0.00 N ATOM 503 CA ASP A 32 -4.508 -11.466 9.709 1.00 0.00 C ATOM 504 C ASP A 32 -3.409 -10.451 10.031 1.00 0.00 C ATOM 505 O ASP A 32 -3.694 -9.393 10.585 1.00 0.00 O ATOM 506 CB ASP A 32 -4.168 -12.829 10.350 1.00 0.00 C ATOM 507 CG ASP A 32 -4.072 -12.816 11.873 1.00 0.00 C ATOM 508 OD1 ASP A 32 -4.389 -11.796 12.522 1.00 0.00 O ATOM 509 OD2 ASP A 32 -3.723 -13.875 12.444 1.00 0.00 O ATOM 0 H ASP A 32 -3.898 -11.094 7.748 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.457 -11.101 10.102 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.928 -13.553 10.054 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.219 -13.179 9.944 1.00 0.00 H new ATOM 514 N ALA A 33 -2.171 -10.697 9.593 1.00 0.00 N ATOM 515 CA ALA A 33 -1.016 -9.812 9.783 1.00 0.00 C ATOM 516 C ALA A 33 -1.050 -8.539 8.905 1.00 0.00 C ATOM 517 O ALA A 33 -0.013 -7.897 8.726 1.00 0.00 O ATOM 518 CB ALA A 33 0.251 -10.633 9.505 1.00 0.00 C ATOM 0 H ALA A 33 -1.936 -11.546 9.079 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.035 -9.444 10.809 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.130 -10.002 9.638 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.299 -11.473 10.198 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.225 -11.007 8.482 1.00 0.00 H new ATOM 524 N VAL A 34 -2.192 -8.207 8.301 1.00 0.00 N ATOM 525 CA VAL A 34 -2.361 -7.226 7.235 1.00 0.00 C ATOM 526 C VAL A 34 -2.659 -5.841 7.836 1.00 0.00 C ATOM 527 O VAL A 34 -3.817 -5.496 8.092 1.00 0.00 O ATOM 528 CB VAL A 34 -3.399 -7.783 6.220 1.00 0.00 C ATOM 529 CG1 VAL A 34 -4.710 -8.327 6.814 1.00 0.00 C ATOM 530 CG2 VAL A 34 -3.773 -6.782 5.134 1.00 0.00 C ATOM 0 H VAL A 34 -3.076 -8.644 8.561 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.448 -7.066 6.661 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.850 -8.628 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.352 -8.687 6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.488 -9.148 7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.220 -7.532 7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.500 -7.233 4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.206 -5.893 5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.881 -6.504 4.573 1.00 0.00 H new ATOM 540 N GLU A 35 -1.623 -5.032 8.087 1.00 0.00 N ATOM 541 CA GLU A 35 -1.749 -3.683 8.640 1.00 0.00 C ATOM 542 C GLU A 35 -1.729 -2.673 7.484 1.00 0.00 C ATOM 543 O GLU A 35 -0.682 -2.113 7.139 1.00 0.00 O ATOM 544 CB GLU A 35 -0.652 -3.434 9.692 1.00 0.00 C ATOM 545 CG GLU A 35 -1.079 -2.472 10.814 1.00 0.00 C ATOM 546 CD GLU A 35 -1.796 -1.201 10.343 1.00 0.00 C ATOM 547 OE1 GLU A 35 -1.120 -0.193 10.035 1.00 0.00 O ATOM 548 OE2 GLU A 35 -3.048 -1.231 10.299 1.00 0.00 O ATOM 0 H GLU A 35 -0.656 -5.304 7.907 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.698 -3.563 9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.361 -4.387 10.134 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.230 -3.030 9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.735 -3.007 11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.193 -2.183 11.380 1.00 0.00 H new ATOM 555 N VAL A 36 -2.894 -2.502 6.861 1.00 0.00 N ATOM 556 CA VAL A 36 -3.137 -1.730 5.647 1.00 0.00 C ATOM 557 C VAL A 36 -3.610 -0.322 5.986 1.00 0.00 C ATOM 558 O VAL A 36 -4.484 -0.153 6.837 1.00 0.00 O ATOM 559 CB VAL A 36 -4.193 -2.453 4.775 1.00 0.00 C ATOM 560 CG1 VAL A 36 -3.527 -3.644 4.076 1.00 0.00 C ATOM 561 CG2 VAL A 36 -5.416 -2.973 5.565 1.00 0.00 C ATOM 0 H VAL A 36 -3.750 -2.929 7.216 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.203 -1.649 5.091 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.566 -1.713 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.262 -4.161 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.711 -3.287 3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.134 -4.332 4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.108 -3.466 4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.085 -3.684 6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.919 -2.136 6.049 1.00 0.00 H new ATOM 571 N GLU A 37 -3.121 0.680 5.262 1.00 0.00 N ATOM 572 CA GLU A 37 -3.531 2.058 5.400 1.00 0.00 C ATOM 573 C GLU A 37 -3.883 2.570 4.002 1.00 0.00 C ATOM 574 O GLU A 37 -2.996 2.738 3.167 1.00 0.00 O ATOM 575 CB GLU A 37 -2.395 2.832 6.089 1.00 0.00 C ATOM 576 CG GLU A 37 -2.898 4.143 6.686 1.00 0.00 C ATOM 577 CD GLU A 37 -3.605 3.942 8.026 1.00 0.00 C ATOM 578 OE1 GLU A 37 -4.800 3.573 8.043 1.00 0.00 O ATOM 579 OE2 GLU A 37 -2.973 4.212 9.074 1.00 0.00 O ATOM 0 H GLU A 37 -2.409 0.543 4.545 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.414 2.187 6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.958 2.216 6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.604 3.038 5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.057 4.823 6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.584 4.619 5.985 1.00 0.00 H new ATOM 586 N TYR A 38 -5.169 2.749 3.694 1.00 0.00 N ATOM 587 CA TYR A 38 -5.588 3.530 2.532 1.00 0.00 C ATOM 588 C TYR A 38 -5.513 4.998 2.945 1.00 0.00 C ATOM 589 O TYR A 38 -6.196 5.369 3.900 1.00 0.00 O ATOM 590 CB TYR A 38 -7.027 3.169 2.129 1.00 0.00 C ATOM 591 CG TYR A 38 -7.531 3.710 0.791 1.00 0.00 C ATOM 592 CD1 TYR A 38 -6.693 4.363 -0.145 1.00 0.00 C ATOM 593 CD2 TYR A 38 -8.886 3.505 0.465 1.00 0.00 C ATOM 594 CE1 TYR A 38 -7.198 4.792 -1.385 1.00 0.00 C ATOM 595 CE2 TYR A 38 -9.395 3.912 -0.781 1.00 0.00 C ATOM 596 CZ TYR A 38 -8.552 4.553 -1.713 1.00 0.00 C ATOM 597 OH TYR A 38 -9.047 4.922 -2.926 1.00 0.00 O ATOM 0 H TYR A 38 -5.940 2.361 4.237 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.947 3.325 1.674 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.110 2.082 2.108 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.697 3.524 2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.654 4.533 0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.541 3.030 1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.553 5.303 -2.085 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.432 3.734 -1.025 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.995 4.680 -2.980 1.00 0.00 H new ATOM 607 N ILE A 39 -4.723 5.835 2.269 1.00 0.00 N ATOM 608 CA ILE A 39 -4.720 7.274 2.527 1.00 0.00 C ATOM 609 C ILE A 39 -4.862 8.038 1.213 1.00 0.00 C ATOM 610 O ILE A 39 -3.897 8.346 0.513 1.00 0.00 O ATOM 611 CB ILE A 39 -3.571 7.744 3.447 1.00 0.00 C ATOM 612 CG1 ILE A 39 -2.147 7.240 3.127 1.00 0.00 C ATOM 613 CG2 ILE A 39 -3.958 7.477 4.909 1.00 0.00 C ATOM 614 CD1 ILE A 39 -1.765 5.815 3.536 1.00 0.00 C ATOM 0 H ILE A 39 -4.076 5.539 1.538 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.598 7.517 3.125 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.474 8.811 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.999 7.326 2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.440 7.921 3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.152 7.806 5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.869 8.025 5.150 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.129 6.410 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.735 5.616 3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.860 5.709 4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.428 5.105 3.042 1.00 0.00 H new ATOM 626 N ASN A 40 -6.123 8.321 0.894 1.00 0.00 N ATOM 627 CA ASN A 40 -6.575 9.169 -0.194 1.00 0.00 C ATOM 628 C ASN A 40 -5.853 10.515 -0.167 1.00 0.00 C ATOM 629 O ASN A 40 -6.064 11.333 0.727 1.00 0.00 O ATOM 630 CB ASN A 40 -8.106 9.348 -0.150 1.00 0.00 C ATOM 631 CG ASN A 40 -8.629 9.852 1.202 1.00 0.00 C ATOM 632 OD1 ASN A 40 -8.457 9.183 2.219 1.00 0.00 O ATOM 633 ND2 ASN A 40 -9.312 10.983 1.262 1.00 0.00 N ATOM 0 H ASN A 40 -6.903 7.936 1.427 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.328 8.680 -1.136 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.404 10.050 -0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.581 8.395 -0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.696 11.300 2.152 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.455 11.538 0.418 1.00 0.00 H new ATOM 640 N VAL A 41 -5.027 10.764 -1.184 1.00 0.00 N ATOM 641 CA VAL A 41 -4.534 12.100 -1.508 1.00 0.00 C ATOM 642 C VAL A 41 -5.748 13.010 -1.707 1.00 0.00 C ATOM 643 O VAL A 41 -6.506 12.843 -2.663 1.00 0.00 O ATOM 644 CB VAL A 41 -3.602 12.040 -2.734 1.00 0.00 C ATOM 645 CG1 VAL A 41 -3.302 13.412 -3.360 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.255 11.448 -2.286 1.00 0.00 C ATOM 0 H VAL A 41 -4.680 10.037 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.930 12.512 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.116 11.438 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.640 13.284 -4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.233 13.874 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.820 14.052 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.579 11.396 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.818 12.082 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.413 10.446 -1.887 1.00 0.00 H new ATOM 656 N MET A 42 -5.938 13.928 -0.767 1.00 0.00 N ATOM 657 CA MET A 42 -7.042 14.864 -0.608 1.00 0.00 C ATOM 658 C MET A 42 -6.672 15.665 0.635 1.00 0.00 C ATOM 659 O MET A 42 -6.469 16.873 0.571 1.00 0.00 O ATOM 660 CB MET A 42 -8.377 14.134 -0.337 1.00 0.00 C ATOM 661 CG MET A 42 -9.306 14.006 -1.546 1.00 0.00 C ATOM 662 SD MET A 42 -10.793 13.010 -1.228 1.00 0.00 S ATOM 663 CE MET A 42 -11.606 14.011 0.058 1.00 0.00 C ATOM 0 H MET A 42 -5.252 14.046 -0.022 1.00 0.00 H new ATOM 0 HA MET A 42 -7.182 15.465 -1.507 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.157 13.135 0.039 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.908 14.663 0.455 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.610 15.003 -1.866 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.752 13.561 -2.372 1.00 0.00 H new ATOM 0 HE1 MET A 42 -12.631 13.665 0.195 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.061 13.910 0.996 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.614 15.058 -0.247 1.00 0.00 H new ATOM 673 N GLU A 43 -6.552 14.960 1.757 1.00 0.00 N ATOM 674 CA GLU A 43 -6.546 15.467 3.106 1.00 0.00 C ATOM 675 C GLU A 43 -5.778 14.388 3.855 1.00 0.00 C ATOM 676 O GLU A 43 -6.310 13.303 4.097 1.00 0.00 O ATOM 677 CB GLU A 43 -7.980 15.549 3.653 1.00 0.00 C ATOM 678 CG GLU A 43 -8.881 16.626 3.039 1.00 0.00 C ATOM 679 CD GLU A 43 -10.320 16.417 3.515 1.00 0.00 C ATOM 680 OE1 GLU A 43 -10.528 16.465 4.754 1.00 0.00 O ATOM 681 OE2 GLU A 43 -11.191 16.168 2.654 1.00 0.00 O ATOM 0 H GLU A 43 -6.449 13.945 1.733 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.118 16.465 3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.457 14.580 3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.927 15.720 4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.531 17.617 3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.835 16.577 1.951 1.00 0.00 H new ATOM 688 N ASN A 44 -4.488 14.597 4.099 1.00 0.00 N ATOM 689 CA ASN A 44 -3.731 13.693 4.960 1.00 0.00 C ATOM 690 C ASN A 44 -2.542 14.399 5.609 1.00 0.00 C ATOM 691 O ASN A 44 -2.033 15.363 5.030 1.00 0.00 O ATOM 692 CB ASN A 44 -3.235 12.472 4.158 1.00 0.00 C ATOM 693 CG ASN A 44 -3.675 11.182 4.827 1.00 0.00 C ATOM 694 OD1 ASN A 44 -2.856 10.436 5.353 1.00 0.00 O ATOM 695 ND2 ASN A 44 -4.969 10.920 4.832 1.00 0.00 N ATOM 0 H ASN A 44 -3.949 15.375 3.718 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.402 13.358 5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.627 12.513 3.142 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.148 12.497 4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.316 10.074 5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.621 11.564 4.384 1.00 0.00 H new ATOM 702 N PRO A 45 -2.051 13.902 6.758 1.00 0.00 N ATOM 703 CA PRO A 45 -0.779 14.331 7.325 1.00 0.00 C ATOM 704 C PRO A 45 0.415 14.036 6.408 1.00 0.00 C ATOM 705 O PRO A 45 0.344 13.225 5.482 1.00 0.00 O ATOM 706 CB PRO A 45 -0.667 13.609 8.671 1.00 0.00 C ATOM 707 CG PRO A 45 -1.664 12.463 8.602 1.00 0.00 C ATOM 708 CD PRO A 45 -2.738 12.998 7.672 1.00 0.00 C ATOM 0 HA PRO A 45 -0.755 15.414 7.447 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.345 13.239 8.835 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.898 14.281 9.497 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.207 11.554 8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.067 12.219 9.585 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.226 12.188 7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.515 13.521 8.230 1.00 0.00 H new ATOM 716 N GLN A 46 1.545 14.683 6.702 1.00 0.00 N ATOM 717 CA GLN A 46 2.743 14.695 5.869 1.00 0.00 C ATOM 718 C GLN A 46 3.503 13.368 5.905 1.00 0.00 C ATOM 719 O GLN A 46 4.435 13.210 5.127 1.00 0.00 O ATOM 720 CB GLN A 46 3.700 15.834 6.283 1.00 0.00 C ATOM 721 CG GLN A 46 3.129 17.257 6.116 1.00 0.00 C ATOM 722 CD GLN A 46 1.891 17.553 6.970 1.00 0.00 C ATOM 723 OE1 GLN A 46 1.850 17.271 8.164 1.00 0.00 O ATOM 724 NE2 GLN A 46 0.828 18.075 6.380 1.00 0.00 N ATOM 0 H GLN A 46 1.652 15.231 7.556 1.00 0.00 H new ATOM 0 HA GLN A 46 2.394 14.858 4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.981 15.691 7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.613 15.754 5.693 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.907 17.978 6.366 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.876 17.412 5.067 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.859 18.310 5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.023 18.242 6.917 1.00 0.00 H new ATOM 733 N LYS A 47 3.130 12.410 6.757 1.00 0.00 N ATOM 734 CA LYS A 47 3.869 11.168 6.992 1.00 0.00 C ATOM 735 C LYS A 47 4.376 10.461 5.729 1.00 0.00 C ATOM 736 O LYS A 47 5.455 9.896 5.764 1.00 0.00 O ATOM 737 CB LYS A 47 3.042 10.238 7.901 1.00 0.00 C ATOM 738 CG LYS A 47 2.007 9.336 7.208 1.00 0.00 C ATOM 739 CD LYS A 47 0.894 10.086 6.463 1.00 0.00 C ATOM 740 CE LYS A 47 -0.159 9.133 5.894 1.00 0.00 C ATOM 741 NZ LYS A 47 -1.005 8.553 6.960 1.00 0.00 N ATOM 0 H LYS A 47 2.281 12.479 7.318 1.00 0.00 H new ATOM 0 HA LYS A 47 4.790 11.448 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.732 9.601 8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.520 10.854 8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.526 8.689 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.551 8.689 7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.415 10.791 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.330 10.670 5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.787 9.668 5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.335 8.331 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.074 7.524 6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.581 8.755 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.956 8.972 6.915 1.00 0.00 H new ATOM 755 N ALA A 48 3.616 10.468 4.630 1.00 0.00 N ATOM 756 CA ALA A 48 4.021 9.880 3.358 1.00 0.00 C ATOM 757 C ALA A 48 4.725 10.878 2.432 1.00 0.00 C ATOM 758 O ALA A 48 5.560 10.497 1.619 1.00 0.00 O ATOM 759 CB ALA A 48 2.786 9.301 2.680 1.00 0.00 C ATOM 0 H ALA A 48 2.688 10.890 4.603 1.00 0.00 H new ATOM 0 HA ALA A 48 4.751 9.097 3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.069 8.856 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.344 8.537 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.059 10.095 2.508 1.00 0.00 H new ATOM 765 N MET A 49 4.402 12.166 2.547 1.00 0.00 N ATOM 766 CA MET A 49 5.189 13.239 1.941 1.00 0.00 C ATOM 767 C MET A 49 6.563 13.372 2.610 1.00 0.00 C ATOM 768 O MET A 49 7.399 14.109 2.101 1.00 0.00 O ATOM 769 CB MET A 49 4.443 14.583 2.009 1.00 0.00 C ATOM 770 CG MET A 49 3.242 14.661 1.063 1.00 0.00 C ATOM 771 SD MET A 49 3.677 14.662 -0.699 1.00 0.00 S ATOM 772 CE MET A 49 2.083 15.093 -1.448 1.00 0.00 C ATOM 0 H MET A 49 3.586 12.495 3.064 1.00 0.00 H new ATOM 0 HA MET A 49 5.338 12.974 0.894 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.102 14.750 3.031 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.138 15.388 1.769 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.582 13.816 1.262 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.677 15.566 1.286 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.189 15.133 -2.532 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.341 14.340 -1.183 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.759 16.066 -1.079 1.00 0.00 H new ATOM 782 N GLU A 50 6.821 12.691 3.732 1.00 0.00 N ATOM 783 CA GLU A 50 8.156 12.627 4.315 1.00 0.00 C ATOM 784 C GLU A 50 9.128 11.864 3.391 1.00 0.00 C ATOM 785 O GLU A 50 10.342 12.036 3.498 1.00 0.00 O ATOM 786 CB GLU A 50 8.105 11.995 5.727 1.00 0.00 C ATOM 787 CG GLU A 50 8.437 10.487 5.785 1.00 0.00 C ATOM 788 CD GLU A 50 8.186 9.835 7.148 1.00 0.00 C ATOM 789 OE1 GLU A 50 7.947 10.533 8.168 1.00 0.00 O ATOM 790 OE2 GLU A 50 8.285 8.595 7.253 1.00 0.00 O ATOM 0 H GLU A 50 6.113 12.174 4.254 1.00 0.00 H new ATOM 0 HA GLU A 50 8.533 13.644 4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.802 12.529 6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.108 12.147 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.843 9.968 5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.484 10.348 5.517 1.00 0.00 H new ATOM 797 N TYR A 51 8.602 10.959 2.552 1.00 0.00 N ATOM 798 CA TYR A 51 9.389 9.932 1.887 1.00 0.00 C ATOM 799 C TYR A 51 10.270 10.515 0.780 1.00 0.00 C ATOM 800 O TYR A 51 9.997 11.574 0.217 1.00 0.00 O ATOM 801 CB TYR A 51 8.460 8.849 1.311 1.00 0.00 C ATOM 802 CG TYR A 51 7.705 7.976 2.312 1.00 0.00 C ATOM 803 CD1 TYR A 51 8.357 7.416 3.429 1.00 0.00 C ATOM 804 CD2 TYR A 51 6.369 7.611 2.052 1.00 0.00 C ATOM 805 CE1 TYR A 51 7.669 6.539 4.286 1.00 0.00 C ATOM 806 CE2 TYR A 51 5.675 6.720 2.892 1.00 0.00 C ATOM 807 CZ TYR A 51 6.320 6.200 4.035 1.00 0.00 C ATOM 808 OH TYR A 51 5.683 5.340 4.878 1.00 0.00 O ATOM 0 H TYR A 51 7.609 10.927 2.320 1.00 0.00 H new ATOM 0 HA TYR A 51 10.050 9.487 2.631 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.728 9.338 0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.056 8.195 0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.390 7.662 3.628 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.867 8.024 1.190 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.176 6.121 5.143 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.658 6.437 2.664 1.00 0.00 H new ATOM 0 HH TYR A 51 4.728 5.314 4.659 1.00 0.00 H new ATOM 818 N GLY A 52 11.315 9.765 0.415 1.00 0.00 N ATOM 819 CA GLY A 52 12.212 10.108 -0.677 1.00 0.00 C ATOM 820 C GLY A 52 11.425 10.333 -1.966 1.00 0.00 C ATOM 821 O GLY A 52 10.599 9.503 -2.333 1.00 0.00 O ATOM 0 H GLY A 52 11.559 8.891 0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.773 11.008 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 52 12.939 9.309 -0.823 1.00 0.00 H new ATOM 825 N ILE A 53 11.707 11.451 -2.640 1.00 0.00 N ATOM 826 CA ILE A 53 11.105 11.994 -3.866 1.00 0.00 C ATOM 827 C ILE A 53 9.606 12.306 -3.794 1.00 0.00 C ATOM 828 O ILE A 53 9.155 13.145 -4.574 1.00 0.00 O ATOM 829 CB ILE A 53 11.484 11.207 -5.152 1.00 0.00 C ATOM 830 CG1 ILE A 53 10.468 10.104 -5.557 1.00 0.00 C ATOM 831 CG2 ILE A 53 12.935 10.683 -5.094 1.00 0.00 C ATOM 832 CD1 ILE A 53 10.786 9.462 -6.912 1.00 0.00 C ATOM 0 H ILE A 53 12.446 12.069 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 53 11.578 12.973 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 53 11.428 11.935 -5.961 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.455 9.330 -4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.467 10.535 -5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.162 10.138 -6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.622 11.523 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.047 10.017 -4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.040 8.700 -7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 53 10.771 10.226 -7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.774 9.003 -6.874 1.00 0.00 H new ATOM 844 N MET A 54 8.853 11.667 -2.894 1.00 0.00 N ATOM 845 CA MET A 54 7.398 11.650 -2.776 1.00 0.00 C ATOM 846 C MET A 54 6.731 11.067 -4.031 1.00 0.00 C ATOM 847 O MET A 54 6.096 10.015 -3.936 1.00 0.00 O ATOM 848 CB MET A 54 6.828 13.020 -2.354 1.00 0.00 C ATOM 849 CG MET A 54 7.535 13.639 -1.136 1.00 0.00 C ATOM 850 SD MET A 54 8.992 14.661 -1.525 1.00 0.00 S ATOM 851 CE MET A 54 9.597 15.006 0.147 1.00 0.00 C ATOM 0 H MET A 54 9.288 11.099 -2.167 1.00 0.00 H new ATOM 0 HA MET A 54 7.146 10.971 -1.961 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.904 13.709 -3.195 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.768 12.908 -2.128 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.817 14.251 -0.591 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.842 12.835 -0.467 1.00 0.00 H new ATOM 0 HE1 MET A 54 10.557 15.519 0.088 1.00 0.00 H new ATOM 0 HE2 MET A 54 8.880 15.638 0.670 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.719 14.069 0.690 1.00 0.00 H new ATOM 861 N ALA A 55 6.916 11.714 -5.190 1.00 0.00 N ATOM 862 CA ALA A 55 6.358 11.479 -6.522 1.00 0.00 C ATOM 863 C ALA A 55 4.833 11.517 -6.541 1.00 0.00 C ATOM 864 O ALA A 55 4.260 12.447 -7.104 1.00 0.00 O ATOM 865 CB ALA A 55 6.916 10.198 -7.161 1.00 0.00 C ATOM 0 H ALA A 55 7.543 12.518 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 55 6.686 12.313 -7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.475 10.062 -8.149 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.999 10.280 -7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.670 9.341 -6.533 1.00 0.00 H new ATOM 871 N VAL A 56 4.218 10.517 -5.919 1.00 0.00 N ATOM 872 CA VAL A 56 2.814 10.127 -6.001 1.00 0.00 C ATOM 873 C VAL A 56 2.601 9.357 -7.325 1.00 0.00 C ATOM 874 O VAL A 56 2.911 9.883 -8.393 1.00 0.00 O ATOM 875 CB VAL A 56 1.825 11.297 -5.763 1.00 0.00 C ATOM 876 CG1 VAL A 56 0.381 10.781 -5.621 1.00 0.00 C ATOM 877 CG2 VAL A 56 2.150 12.070 -4.469 1.00 0.00 C ATOM 0 H VAL A 56 4.735 9.904 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 56 2.576 9.457 -5.175 1.00 0.00 H new ATOM 0 HB VAL A 56 1.924 11.952 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.291 11.623 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.090 10.258 -6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.321 10.096 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.433 12.881 -4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.090 11.394 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.157 12.482 -4.535 1.00 0.00 H new ATOM 887 N PRO A 57 2.061 8.121 -7.300 1.00 0.00 N ATOM 888 CA PRO A 57 1.630 7.400 -6.113 1.00 0.00 C ATOM 889 C PRO A 57 2.815 6.972 -5.244 1.00 0.00 C ATOM 890 O PRO A 57 3.966 7.020 -5.662 1.00 0.00 O ATOM 891 CB PRO A 57 0.822 6.210 -6.635 1.00 0.00 C ATOM 892 CG PRO A 57 1.459 5.910 -7.975 1.00 0.00 C ATOM 893 CD PRO A 57 1.875 7.293 -8.482 1.00 0.00 C ATOM 0 HA PRO A 57 1.026 8.026 -5.456 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.885 5.356 -5.961 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.234 6.457 -6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.316 5.244 -7.873 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.758 5.426 -8.655 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.795 7.234 -9.064 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.111 7.714 -9.136 1.00 0.00 H new ATOM 901 N THR A 58 2.511 6.589 -4.011 1.00 0.00 N ATOM 902 CA THR A 58 3.461 6.459 -2.925 1.00 0.00 C ATOM 903 C THR A 58 2.934 5.267 -2.122 1.00 0.00 C ATOM 904 O THR A 58 1.895 5.375 -1.466 1.00 0.00 O ATOM 905 CB THR A 58 3.417 7.802 -2.168 1.00 0.00 C ATOM 906 OG1 THR A 58 3.697 8.911 -3.002 1.00 0.00 O ATOM 907 CG2 THR A 58 4.257 7.917 -0.903 1.00 0.00 C ATOM 0 H THR A 58 1.558 6.352 -3.734 1.00 0.00 H new ATOM 0 HA THR A 58 4.501 6.275 -3.194 1.00 0.00 H new ATOM 0 HB THR A 58 2.379 7.818 -1.835 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.666 8.990 -3.126 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.133 8.911 -0.473 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.933 7.167 -0.182 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.307 7.756 -1.148 1.00 0.00 H new ATOM 915 N ILE A 59 3.538 4.085 -2.270 1.00 0.00 N ATOM 916 CA ILE A 59 2.953 2.840 -1.778 1.00 0.00 C ATOM 917 C ILE A 59 3.979 2.179 -0.863 1.00 0.00 C ATOM 918 O ILE A 59 5.132 2.008 -1.251 1.00 0.00 O ATOM 919 CB ILE A 59 2.566 1.919 -2.954 1.00 0.00 C ATOM 920 CG1 ILE A 59 1.670 2.592 -4.024 1.00 0.00 C ATOM 921 CG2 ILE A 59 1.895 0.642 -2.406 1.00 0.00 C ATOM 922 CD1 ILE A 59 2.475 3.044 -5.246 1.00 0.00 C ATOM 0 H ILE A 59 4.440 3.967 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 59 2.037 3.038 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 59 3.492 1.671 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.895 1.893 -4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.165 3.452 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.621 -0.010 -3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.590 0.120 -1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.000 0.913 -1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.807 3.510 -5.970 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.233 3.763 -4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.959 2.181 -5.703 1.00 0.00 H new ATOM 934 N VAL A 60 3.563 1.718 0.307 1.00 0.00 N ATOM 935 CA VAL A 60 4.366 0.840 1.138 1.00 0.00 C ATOM 936 C VAL A 60 3.824 -0.551 0.881 1.00 0.00 C ATOM 937 O VAL A 60 2.606 -0.748 0.907 1.00 0.00 O ATOM 938 CB VAL A 60 4.294 1.258 2.615 1.00 0.00 C ATOM 939 CG1 VAL A 60 4.895 0.207 3.545 1.00 0.00 C ATOM 940 CG2 VAL A 60 5.038 2.582 2.821 1.00 0.00 C ATOM 0 H VAL A 60 2.653 1.945 0.707 1.00 0.00 H new ATOM 0 HA VAL A 60 5.428 0.886 0.895 1.00 0.00 H new ATOM 0 HB VAL A 60 3.238 1.368 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.820 0.549 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.351 -0.731 3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.943 0.052 3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.982 2.871 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.082 2.461 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.579 3.357 2.206 1.00 0.00 H new ATOM 950 N ILE A 61 4.725 -1.497 0.628 1.00 0.00 N ATOM 951 CA ILE A 61 4.438 -2.922 0.744 1.00 0.00 C ATOM 952 C ILE A 61 5.426 -3.449 1.766 1.00 0.00 C ATOM 953 O ILE A 61 6.567 -2.991 1.791 1.00 0.00 O ATOM 954 CB ILE A 61 4.516 -3.650 -0.616 1.00 0.00 C ATOM 955 CG1 ILE A 61 5.945 -3.700 -1.218 1.00 0.00 C ATOM 956 CG2 ILE A 61 3.519 -2.970 -1.577 1.00 0.00 C ATOM 957 CD1 ILE A 61 6.792 -4.919 -0.828 1.00 0.00 C ATOM 0 H ILE A 61 5.681 -1.294 0.335 1.00 0.00 H new ATOM 0 HA ILE A 61 3.414 -3.102 1.070 1.00 0.00 H new ATOM 0 HB ILE A 61 4.249 -4.695 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.862 -3.671 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.478 -2.799 -0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.553 -3.465 -2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.511 -3.043 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.787 -1.920 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.770 -4.850 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.917 -4.944 0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.292 -5.830 -1.157 1.00 0.00 H new ATOM 969 N ASN A 62 4.986 -4.383 2.598 1.00 0.00 N ATOM 970 CA ASN A 62 5.615 -4.938 3.799 1.00 0.00 C ATOM 971 C ASN A 62 6.087 -3.926 4.862 1.00 0.00 C ATOM 972 O ASN A 62 6.023 -4.243 6.052 1.00 0.00 O ATOM 973 CB ASN A 62 6.690 -5.979 3.430 1.00 0.00 C ATOM 974 CG ASN A 62 6.225 -7.025 2.413 1.00 0.00 C ATOM 975 OD1 ASN A 62 5.030 -7.189 2.178 1.00 0.00 O ATOM 976 ND2 ASN A 62 7.141 -7.745 1.789 1.00 0.00 N ATOM 0 H ASN A 62 4.080 -4.821 2.433 1.00 0.00 H new ATOM 0 HA ASN A 62 4.804 -5.446 4.321 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.560 -5.460 3.029 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.013 -6.489 4.338 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.859 -8.446 1.104 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.130 -7.600 1.993 1.00 0.00 H new ATOM 983 N GLY A 63 6.498 -2.721 4.476 1.00 0.00 N ATOM 984 CA GLY A 63 7.109 -1.652 5.257 1.00 0.00 C ATOM 985 C GLY A 63 8.028 -0.786 4.381 1.00 0.00 C ATOM 986 O GLY A 63 8.465 0.282 4.810 1.00 0.00 O ATOM 0 H GLY A 63 6.399 -2.441 3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.331 -1.030 5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.682 -2.080 6.080 1.00 0.00 H new ATOM 990 N ASP A 64 8.334 -1.225 3.160 1.00 0.00 N ATOM 991 CA ASP A 64 9.180 -0.562 2.176 1.00 0.00 C ATOM 992 C ASP A 64 8.361 0.331 1.228 1.00 0.00 C ATOM 993 O ASP A 64 7.541 -0.162 0.434 1.00 0.00 O ATOM 994 CB ASP A 64 10.040 -1.628 1.480 1.00 0.00 C ATOM 995 CG ASP A 64 10.816 -2.421 2.543 1.00 0.00 C ATOM 996 OD1 ASP A 64 11.628 -1.801 3.273 1.00 0.00 O ATOM 997 OD2 ASP A 64 10.479 -3.605 2.761 1.00 0.00 O ATOM 0 H ASP A 64 7.972 -2.113 2.812 1.00 0.00 H new ATOM 0 HA ASP A 64 9.861 0.138 2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.409 -2.299 0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.733 -1.156 0.783 1.00 0.00 H new ATOM 1002 N VAL A 65 8.548 1.653 1.335 1.00 0.00 N ATOM 1003 CA VAL A 65 7.986 2.643 0.415 1.00 0.00 C ATOM 1004 C VAL A 65 8.663 2.499 -0.957 1.00 0.00 C ATOM 1005 O VAL A 65 9.883 2.396 -1.048 1.00 0.00 O ATOM 1006 CB VAL A 65 8.059 4.078 1.000 1.00 0.00 C ATOM 1007 CG1 VAL A 65 9.471 4.551 1.380 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.396 5.077 0.038 1.00 0.00 C ATOM 0 H VAL A 65 9.106 2.070 2.080 1.00 0.00 H new ATOM 0 HA VAL A 65 6.921 2.454 0.277 1.00 0.00 H new ATOM 0 HB VAL A 65 7.511 4.037 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.420 5.564 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.887 3.884 2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.108 4.541 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.453 6.081 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.913 5.056 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.351 4.804 -0.107 1.00 0.00 H new ATOM 1018 N GLU A 66 7.863 2.437 -2.021 1.00 0.00 N ATOM 1019 CA GLU A 66 8.284 2.321 -3.416 1.00 0.00 C ATOM 1020 C GLU A 66 7.071 2.764 -4.284 1.00 0.00 C ATOM 1021 O GLU A 66 6.035 3.136 -3.713 1.00 0.00 O ATOM 1022 CB GLU A 66 8.693 0.854 -3.616 1.00 0.00 C ATOM 1023 CG GLU A 66 9.829 0.518 -4.577 1.00 0.00 C ATOM 1024 CD GLU A 66 9.182 -0.171 -5.758 1.00 0.00 C ATOM 1025 OE1 GLU A 66 8.744 0.591 -6.639 1.00 0.00 O ATOM 1026 OE2 GLU A 66 8.896 -1.382 -5.632 1.00 0.00 O ATOM 0 H GLU A 66 6.848 2.468 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 66 9.131 2.946 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.962 0.453 -2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.809 0.311 -3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.355 1.420 -4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.564 -0.131 -4.101 1.00 0.00 H new ATOM 1033 N PHE A 67 7.106 2.699 -5.624 1.00 0.00 N ATOM 1034 CA PHE A 67 5.959 3.060 -6.470 1.00 0.00 C ATOM 1035 C PHE A 67 6.222 2.605 -7.900 1.00 0.00 C ATOM 1036 O PHE A 67 7.283 2.890 -8.450 1.00 0.00 O ATOM 1037 CB PHE A 67 5.628 4.568 -6.437 1.00 0.00 C ATOM 1038 CG PHE A 67 6.484 5.505 -7.278 1.00 0.00 C ATOM 1039 CD1 PHE A 67 7.871 5.606 -7.059 1.00 0.00 C ATOM 1040 CD2 PHE A 67 5.885 6.284 -8.289 1.00 0.00 C ATOM 1041 CE1 PHE A 67 8.655 6.452 -7.862 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.665 7.145 -9.080 1.00 0.00 C ATOM 1043 CZ PHE A 67 8.053 7.226 -8.870 1.00 0.00 C ATOM 0 H PHE A 67 7.926 2.396 -6.149 1.00 0.00 H new ATOM 0 HA PHE A 67 5.085 2.549 -6.066 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.591 4.690 -6.752 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.688 4.901 -5.401 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.334 5.031 -6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.820 6.219 -8.457 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.722 6.508 -7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.199 7.744 -9.848 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.655 7.881 -9.482 1.00 0.00 H new ATOM 1053 N ILE A 68 5.259 1.909 -8.518 1.00 0.00 N ATOM 1054 CA ILE A 68 5.478 1.314 -9.831 1.00 0.00 C ATOM 1055 C ILE A 68 4.459 1.859 -10.821 1.00 0.00 C ATOM 1056 O ILE A 68 3.527 1.174 -11.242 1.00 0.00 O ATOM 1057 CB ILE A 68 5.659 -0.226 -9.791 1.00 0.00 C ATOM 1058 CG1 ILE A 68 6.530 -0.602 -8.569 1.00 0.00 C ATOM 1059 CG2 ILE A 68 6.299 -0.591 -11.151 1.00 0.00 C ATOM 1060 CD1 ILE A 68 7.297 -1.912 -8.651 1.00 0.00 C ATOM 0 H ILE A 68 4.330 1.748 -8.129 1.00 0.00 H new ATOM 0 HA ILE A 68 6.450 1.627 -10.212 1.00 0.00 H new ATOM 0 HB ILE A 68 4.729 -0.781 -9.667 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.247 0.202 -8.403 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.885 -0.640 -7.691 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.459 -1.668 -11.200 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.635 -0.286 -11.959 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.255 -0.077 -11.253 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.867 -2.058 -7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.596 -2.737 -8.778 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.979 -1.882 -9.501 1.00 0.00 H new ATOM 1072 N GLY A 69 4.708 3.099 -11.240 1.00 0.00 N ATOM 1073 CA GLY A 69 4.015 3.729 -12.344 1.00 0.00 C ATOM 1074 C GLY A 69 2.965 4.718 -11.848 1.00 0.00 C ATOM 1075 O GLY A 69 2.977 5.135 -10.693 1.00 0.00 O ATOM 0 H GLY A 69 5.412 3.698 -10.808 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.734 4.247 -12.979 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.537 2.966 -12.959 1.00 0.00 H new ATOM 1079 N ALA A 70 2.080 5.131 -12.759 1.00 0.00 N ATOM 1080 CA ALA A 70 0.860 5.850 -12.422 1.00 0.00 C ATOM 1081 C ALA A 70 -0.159 5.016 -11.616 1.00 0.00 C ATOM 1082 O ALA A 70 -0.856 5.622 -10.799 1.00 0.00 O ATOM 1083 CB ALA A 70 0.210 6.389 -13.703 1.00 0.00 C ATOM 0 H ALA A 70 2.196 4.971 -13.760 1.00 0.00 H new ATOM 0 HA ALA A 70 1.155 6.670 -11.768 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.703 6.927 -13.449 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.902 7.065 -14.205 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.031 5.558 -14.366 1.00 0.00 H new ATOM 1089 N PRO A 71 -0.337 3.690 -11.824 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.156 2.902 -10.912 1.00 0.00 C ATOM 1091 C PRO A 71 -0.409 2.689 -9.590 1.00 0.00 C ATOM 1092 O PRO A 71 0.740 3.090 -9.413 1.00 0.00 O ATOM 1093 CB PRO A 71 -1.446 1.585 -11.639 1.00 0.00 C ATOM 1094 CG PRO A 71 -0.193 1.388 -12.480 1.00 0.00 C ATOM 1095 CD PRO A 71 0.183 2.817 -12.876 1.00 0.00 C ATOM 0 HA PRO A 71 -2.091 3.400 -10.653 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.599 0.762 -10.941 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.342 1.651 -12.256 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.602 0.904 -11.913 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.387 0.765 -13.353 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.264 2.922 -12.968 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.246 3.077 -13.843 1.00 0.00 H new ATOM 1103 N THR A 72 -1.079 2.044 -8.645 1.00 0.00 N ATOM 1104 CA THR A 72 -0.481 1.566 -7.413 1.00 0.00 C ATOM 1105 C THR A 72 0.558 0.460 -7.701 1.00 0.00 C ATOM 1106 O THR A 72 0.883 0.174 -8.852 1.00 0.00 O ATOM 1107 CB THR A 72 -1.648 1.180 -6.475 1.00 0.00 C ATOM 1108 OG1 THR A 72 -2.841 0.802 -7.153 1.00 0.00 O ATOM 1109 CG2 THR A 72 -2.044 2.448 -5.709 1.00 0.00 C ATOM 0 H THR A 72 -2.075 1.836 -8.718 1.00 0.00 H new ATOM 0 HA THR A 72 0.109 2.326 -6.901 1.00 0.00 H new ATOM 0 HB THR A 72 -1.295 0.343 -5.873 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.865 -0.172 -7.254 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.868 2.222 -5.032 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.190 2.807 -5.134 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.356 3.217 -6.415 1.00 0.00 H new ATOM 1117 N LYS A 73 1.165 -0.124 -6.658 1.00 0.00 N ATOM 1118 CA LYS A 73 2.418 -0.897 -6.742 1.00 0.00 C ATOM 1119 C LYS A 73 2.215 -2.287 -7.371 1.00 0.00 C ATOM 1120 O LYS A 73 2.892 -3.230 -6.986 1.00 0.00 O ATOM 1121 CB LYS A 73 3.016 -0.965 -5.324 1.00 0.00 C ATOM 1122 CG LYS A 73 4.423 -1.565 -5.193 1.00 0.00 C ATOM 1123 CD LYS A 73 5.499 -0.578 -4.757 1.00 0.00 C ATOM 1124 CE LYS A 73 5.393 -0.132 -3.285 1.00 0.00 C ATOM 1125 NZ LYS A 73 6.371 -0.765 -2.368 1.00 0.00 N ATOM 0 H LYS A 73 0.792 -0.072 -5.710 1.00 0.00 H new ATOM 0 HA LYS A 73 3.118 -0.398 -7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.039 0.046 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.339 -1.546 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.388 -2.384 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.711 -1.994 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.477 -1.031 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.447 0.304 -5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.521 0.949 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.387 -0.350 -2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.864 -1.232 -1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.930 -1.470 -2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.006 -0.037 -1.981 1.00 0.00 H new ATOM 1139 N GLU A 74 1.265 -2.475 -8.277 1.00 0.00 N ATOM 1140 CA GLU A 74 0.754 -3.791 -8.634 1.00 0.00 C ATOM 1141 C GLU A 74 1.786 -4.717 -9.300 1.00 0.00 C ATOM 1142 O GLU A 74 1.688 -5.933 -9.160 1.00 0.00 O ATOM 1143 CB GLU A 74 -0.629 -3.646 -9.297 1.00 0.00 C ATOM 1144 CG GLU A 74 -1.681 -3.591 -8.161 1.00 0.00 C ATOM 1145 CD GLU A 74 -2.900 -2.711 -8.417 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -2.721 -1.469 -8.376 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -4.013 -3.285 -8.527 1.00 0.00 O ATOM 0 H GLU A 74 0.824 -1.711 -8.789 1.00 0.00 H new ATOM 0 HA GLU A 74 0.572 -4.371 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.671 -2.742 -9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.826 -4.486 -9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.026 -4.606 -7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.189 -3.240 -7.254 1.00 0.00 H new ATOM 1154 N ALA A 75 2.867 -4.179 -9.870 1.00 0.00 N ATOM 1155 CA ALA A 75 4.016 -4.990 -10.272 1.00 0.00 C ATOM 1156 C ALA A 75 4.713 -5.653 -9.068 1.00 0.00 C ATOM 1157 O ALA A 75 4.991 -6.847 -9.107 1.00 0.00 O ATOM 1158 CB ALA A 75 4.991 -4.116 -11.057 1.00 0.00 C ATOM 0 H ALA A 75 2.969 -3.183 -10.063 1.00 0.00 H new ATOM 0 HA ALA A 75 3.660 -5.803 -10.904 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.851 -4.713 -11.361 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.493 -3.720 -11.942 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.326 -3.290 -10.429 1.00 0.00 H new ATOM 1164 N LEU A 76 5.019 -4.903 -8.001 1.00 0.00 N ATOM 1165 CA LEU A 76 5.601 -5.482 -6.775 1.00 0.00 C ATOM 1166 C LEU A 76 4.530 -6.227 -5.961 1.00 0.00 C ATOM 1167 O LEU A 76 4.829 -7.136 -5.181 1.00 0.00 O ATOM 1168 CB LEU A 76 6.260 -4.371 -5.925 1.00 0.00 C ATOM 1169 CG LEU A 76 7.592 -4.691 -5.217 1.00 0.00 C ATOM 1170 CD1 LEU A 76 7.441 -5.802 -4.176 1.00 0.00 C ATOM 1171 CD2 LEU A 76 8.699 -5.074 -6.205 1.00 0.00 C ATOM 0 H LEU A 76 4.875 -3.894 -7.959 1.00 0.00 H new ATOM 0 HA LEU A 76 6.367 -6.203 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.425 -3.510 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.543 -4.064 -5.163 1.00 0.00 H new ATOM 0 HG LEU A 76 7.880 -3.770 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.405 -5.992 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.720 -5.495 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.090 -6.712 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.617 -5.290 -5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.395 -5.957 -6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.874 -4.248 -6.894 1.00 0.00 H new ATOM 1183 N VAL A 77 3.259 -5.863 -6.127 1.00 0.00 N ATOM 1184 CA VAL A 77 2.179 -6.542 -5.439 1.00 0.00 C ATOM 1185 C VAL A 77 2.082 -7.981 -5.963 1.00 0.00 C ATOM 1186 O VAL A 77 1.931 -8.889 -5.154 1.00 0.00 O ATOM 1187 CB VAL A 77 0.879 -5.709 -5.479 1.00 0.00 C ATOM 1188 CG1 VAL A 77 -0.224 -6.315 -6.350 1.00 0.00 C ATOM 1189 CG2 VAL A 77 0.323 -5.441 -4.081 1.00 0.00 C ATOM 0 H VAL A 77 2.959 -5.100 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 77 2.382 -6.631 -4.372 1.00 0.00 H new ATOM 0 HB VAL A 77 1.180 -4.768 -5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.103 -5.670 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.131 -6.405 -7.377 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.487 -7.302 -5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.591 -4.852 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.103 -6.389 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.060 -4.891 -3.496 1.00 0.00 H new ATOM 1199 N GLU A 78 2.280 -8.230 -7.265 1.00 0.00 N ATOM 1200 CA GLU A 78 2.411 -9.595 -7.787 1.00 0.00 C ATOM 1201 C GLU A 78 3.515 -10.376 -7.044 1.00 0.00 C ATOM 1202 O GLU A 78 3.431 -11.599 -6.924 1.00 0.00 O ATOM 1203 CB GLU A 78 2.688 -9.566 -9.305 1.00 0.00 C ATOM 1204 CG GLU A 78 1.414 -9.556 -10.169 1.00 0.00 C ATOM 1205 CD GLU A 78 0.605 -10.859 -10.080 1.00 0.00 C ATOM 1206 OE1 GLU A 78 1.174 -11.951 -9.862 1.00 0.00 O ATOM 1207 OE2 GLU A 78 -0.643 -10.826 -10.143 1.00 0.00 O ATOM 0 H GLU A 78 2.353 -7.502 -7.976 1.00 0.00 H new ATOM 0 HA GLU A 78 1.468 -10.114 -7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.282 -8.683 -9.540 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.290 -10.435 -9.572 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.782 -8.723 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.690 -9.379 -11.208 1.00 0.00 H new ATOM 1214 N ALA A 79 4.518 -9.697 -6.470 1.00 0.00 N ATOM 1215 CA ALA A 79 5.507 -10.337 -5.620 1.00 0.00 C ATOM 1216 C ALA A 79 4.862 -10.686 -4.270 1.00 0.00 C ATOM 1217 O ALA A 79 4.877 -11.855 -3.853 1.00 0.00 O ATOM 1218 CB ALA A 79 6.767 -9.480 -5.452 1.00 0.00 C ATOM 0 H ALA A 79 4.658 -8.693 -6.587 1.00 0.00 H new ATOM 0 HA ALA A 79 5.839 -11.257 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.477 -9.999 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.221 -9.306 -6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.500 -8.525 -5.000 1.00 0.00 H new ATOM 1224 N ILE A 80 4.313 -9.687 -3.572 1.00 0.00 N ATOM 1225 CA ILE A 80 3.761 -9.949 -2.243 1.00 0.00 C ATOM 1226 C ILE A 80 2.697 -11.066 -2.249 1.00 0.00 C ATOM 1227 O ILE A 80 2.697 -11.908 -1.351 1.00 0.00 O ATOM 1228 CB ILE A 80 3.365 -8.639 -1.531 1.00 0.00 C ATOM 1229 CG1 ILE A 80 2.000 -8.019 -1.919 1.00 0.00 C ATOM 1230 CG2 ILE A 80 4.535 -7.643 -1.638 1.00 0.00 C ATOM 1231 CD1 ILE A 80 1.833 -6.609 -1.326 1.00 0.00 C ATOM 0 H ILE A 80 4.240 -8.721 -3.892 1.00 0.00 H new ATOM 0 HA ILE A 80 4.549 -10.370 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 80 3.185 -8.903 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.916 -7.971 -3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.194 -8.662 -1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.267 -6.712 -1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.419 -8.068 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.747 -7.443 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.864 -6.204 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.891 -6.662 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.625 -5.961 -1.700 1.00 0.00 H new ATOM 1243 N LYS A 81 1.879 -11.178 -3.307 1.00 0.00 N ATOM 1244 CA LYS A 81 0.946 -12.303 -3.477 1.00 0.00 C ATOM 1245 C LYS A 81 1.537 -13.555 -4.131 1.00 0.00 C ATOM 1246 O LYS A 81 0.896 -14.596 -4.002 1.00 0.00 O ATOM 1247 CB LYS A 81 -0.329 -11.884 -4.227 1.00 0.00 C ATOM 1248 CG LYS A 81 -0.031 -11.101 -5.515 1.00 0.00 C ATOM 1249 CD LYS A 81 -0.847 -11.480 -6.744 1.00 0.00 C ATOM 1250 CE LYS A 81 -0.418 -12.848 -7.279 1.00 0.00 C ATOM 1251 NZ LYS A 81 -0.979 -13.081 -8.622 1.00 0.00 N ATOM 0 H LYS A 81 1.845 -10.496 -4.065 1.00 0.00 H new ATOM 0 HA LYS A 81 0.702 -12.584 -2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.909 -12.773 -4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.947 -11.272 -3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.188 -10.041 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.025 -11.227 -5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.907 -11.499 -6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.718 -10.724 -7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.670 -12.904 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.752 -13.631 -6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.799 -13.717 -8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.278 -12.175 -9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.256 -13.516 -9.230 1.00 0.00 H new ATOM 1265 N LYS A 82 2.692 -13.540 -4.827 1.00 0.00 N ATOM 1266 CA LYS A 82 3.337 -14.832 -5.130 1.00 0.00 C ATOM 1267 C LYS A 82 3.795 -15.484 -3.844 1.00 0.00 C ATOM 1268 O LYS A 82 3.799 -16.710 -3.814 1.00 0.00 O ATOM 1269 CB LYS A 82 4.453 -14.828 -6.201 1.00 0.00 C ATOM 1270 CG LYS A 82 5.790 -14.119 -5.915 1.00 0.00 C ATOM 1271 CD LYS A 82 6.816 -14.706 -4.917 1.00 0.00 C ATOM 1272 CE LYS A 82 7.948 -13.698 -4.618 1.00 0.00 C ATOM 1273 NZ LYS A 82 7.550 -12.638 -3.657 1.00 0.00 N ATOM 0 H LYS A 82 3.171 -12.707 -5.170 1.00 0.00 H new ATOM 0 HA LYS A 82 2.559 -15.425 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.681 -15.868 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.035 -14.381 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.303 -14.011 -6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.549 -13.114 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.311 -14.975 -3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.241 -15.623 -5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.808 -14.236 -4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.267 -13.233 -5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.204 -11.833 -3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.583 -12.321 -3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.584 -13.017 -2.689 1.00 0.00 H new ATOM 1287 N ARG A 83 4.190 -14.679 -2.842 1.00 0.00 N ATOM 1288 CA ARG A 83 4.672 -15.078 -1.509 1.00 0.00 C ATOM 1289 C ARG A 83 5.689 -14.052 -1.047 1.00 0.00 C ATOM 1290 O ARG A 83 6.823 -14.115 -1.524 1.00 0.00 O ATOM 1291 CB ARG A 83 5.277 -16.507 -1.455 1.00 0.00 C ATOM 1292 CG ARG A 83 6.084 -16.802 -0.186 1.00 0.00 C ATOM 1293 CD ARG A 83 6.578 -18.249 -0.158 1.00 0.00 C ATOM 1294 NE ARG A 83 7.316 -18.506 1.088 1.00 0.00 N ATOM 1295 CZ ARG A 83 8.464 -19.176 1.224 1.00 0.00 C ATOM 1296 NH1 ARG A 83 8.950 -19.900 0.223 1.00 0.00 N ATOM 1297 NH2 ARG A 83 9.112 -19.099 2.378 1.00 0.00 N ATOM 0 H ARG A 83 4.180 -13.665 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 83 3.810 -15.110 -0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.469 -17.234 -1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.921 -16.649 -2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.936 -16.125 -0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.467 -16.610 0.692 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.732 -18.932 -0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.222 -18.439 -1.017 1.00 0.00 H new ATOM 0 HE ARG A 83 6.906 -18.131 1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.446 -19.949 -0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.827 -20.407 0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.732 -18.537 3.140 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.990 -19.602 2.504 1.00 0.00 H new