USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 25 THR OG1 : rot -142:sc= 0.0631 USER MOD Set 1.2: A 80 THR OG1 : rot 77:sc= 0.373 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -125:sc= 1.21 (180deg=-0.0316) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0512 USER MOD Single : A 20 THR OG1 : rot 75:sc= 0.702 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 165:sc= -0.359 USER MOD Single : A 34 ASN : amide:sc= -2.54 K(o=-2.5,f=-3.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0452 USER MOD Single : A 43 ASN : amide:sc= -1.42 K(o=-1.4,f=-10!) USER MOD Single : A 45 LYS NZ :NH3+ -111:sc= -0.424 (180deg=-2.17) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -99:sc= 0.961 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 46:sc= 0.0587 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.1 K(o=-1.1,f=-6.5!) USER MOD Single : A 75 ASN : amide:sc= -4.17 K(o=-4.2,f=-18!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.00694) USER MOD Single : A 83 SER OG : rot -59:sc= 0.744 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.181 -9.780 -9.717 1.00 0.00 N ATOM 2 CA ALA A 2 -6.599 -9.331 -8.359 1.00 0.00 C ATOM 3 C ALA A 2 -5.727 -8.151 -7.921 1.00 0.00 C ATOM 4 O ALA A 2 -5.245 -8.101 -6.803 1.00 0.00 O ATOM 5 CB ALA A 2 -6.437 -10.488 -7.370 1.00 0.00 C ATOM 0 HA ALA A 2 -7.643 -9.018 -8.382 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.742 -10.162 -6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.060 -11.325 -7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.393 -10.802 -7.345 1.00 0.00 H new ATOM 13 N GLN A 3 -5.524 -7.198 -8.796 1.00 0.00 N ATOM 14 CA GLN A 3 -4.686 -6.015 -8.441 1.00 0.00 C ATOM 15 C GLN A 3 -5.515 -4.739 -8.585 1.00 0.00 C ATOM 16 O GLN A 3 -6.460 -4.686 -9.350 1.00 0.00 O ATOM 17 CB GLN A 3 -3.478 -5.940 -9.377 1.00 0.00 C ATOM 18 CG GLN A 3 -3.946 -6.004 -10.833 1.00 0.00 C ATOM 19 CD GLN A 3 -2.735 -5.915 -11.763 1.00 0.00 C ATOM 20 OE1 GLN A 3 -2.317 -4.837 -12.135 1.00 0.00 O ATOM 21 NE2 GLN A 3 -2.148 -7.014 -12.156 1.00 0.00 N ATOM 0 H GLN A 3 -5.904 -7.190 -9.743 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.343 -6.115 -7.411 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.928 -5.015 -9.202 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.793 -6.762 -9.169 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.487 -6.933 -11.012 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.638 -5.187 -11.040 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.499 -7.919 -11.844 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.339 -6.967 -12.775 1.00 0.00 H new ATOM 30 N LYS A 4 -5.163 -3.711 -7.855 1.00 0.00 N ATOM 31 CA LYS A 4 -5.925 -2.430 -7.944 1.00 0.00 C ATOM 32 C LYS A 4 -4.958 -1.251 -7.828 1.00 0.00 C ATOM 33 O LYS A 4 -3.982 -1.308 -7.103 1.00 0.00 O ATOM 34 CB LYS A 4 -6.950 -2.363 -6.812 1.00 0.00 C ATOM 35 CG LYS A 4 -7.896 -1.183 -7.050 1.00 0.00 C ATOM 36 CD LYS A 4 -8.984 -1.172 -5.974 1.00 0.00 C ATOM 37 CE LYS A 4 -10.230 -1.890 -6.495 1.00 0.00 C ATOM 38 NZ LYS A 4 -11.295 -1.856 -5.454 1.00 0.00 N ATOM 0 H LYS A 4 -4.380 -3.704 -7.201 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.442 -2.383 -8.903 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.516 -3.293 -6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.443 -2.249 -5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.338 -0.247 -7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.349 -1.260 -8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.621 -1.662 -5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.231 -0.146 -5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.584 -1.411 -7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.988 -2.922 -6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.614 -2.825 -5.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.917 -1.427 -4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.098 -1.292 -5.797 1.00 0.00 H new ATOM 52 N THR A 5 -5.226 -0.185 -8.536 1.00 0.00 N ATOM 53 CA THR A 5 -4.330 1.007 -8.474 1.00 0.00 C ATOM 54 C THR A 5 -4.807 1.944 -7.363 1.00 0.00 C ATOM 55 O THR A 5 -5.989 2.056 -7.100 1.00 0.00 O ATOM 56 CB THR A 5 -4.369 1.746 -9.815 1.00 0.00 C ATOM 57 OG1 THR A 5 -4.168 0.816 -10.870 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.267 2.804 -9.848 1.00 0.00 C ATOM 0 H THR A 5 -6.030 -0.089 -9.157 1.00 0.00 H new ATOM 0 HA THR A 5 -3.310 0.684 -8.266 1.00 0.00 H new ATOM 0 HB THR A 5 -5.338 2.231 -9.936 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.194 1.286 -11.730 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.295 3.329 -10.803 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.422 3.516 -9.037 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.297 2.322 -9.728 1.00 0.00 H new ATOM 66 N PHE A 6 -3.892 2.616 -6.709 1.00 0.00 N ATOM 67 CA PHE A 6 -4.282 3.548 -5.613 1.00 0.00 C ATOM 68 C PHE A 6 -3.671 4.926 -5.871 1.00 0.00 C ATOM 69 O PHE A 6 -2.732 5.065 -6.631 1.00 0.00 O ATOM 70 CB PHE A 6 -3.765 3.008 -4.277 1.00 0.00 C ATOM 71 CG PHE A 6 -4.568 1.795 -3.877 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.393 0.585 -4.557 1.00 0.00 C ATOM 73 CD2 PHE A 6 -5.485 1.880 -2.824 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.136 -0.541 -4.185 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.229 0.755 -2.451 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.054 -0.456 -3.131 1.00 0.00 C ATOM 0 H PHE A 6 -2.890 2.557 -6.890 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.368 3.632 -5.579 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.710 2.746 -4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.841 3.777 -3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.684 0.520 -5.369 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.619 2.814 -2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.001 -1.475 -4.710 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -6.938 0.821 -1.639 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.627 -1.325 -2.843 1.00 0.00 H new ATOM 86 N LYS A 7 -4.198 5.942 -5.238 1.00 0.00 N ATOM 87 CA LYS A 7 -3.656 7.318 -5.433 1.00 0.00 C ATOM 88 C LYS A 7 -3.080 7.823 -4.110 1.00 0.00 C ATOM 89 O LYS A 7 -3.697 7.698 -3.068 1.00 0.00 O ATOM 90 CB LYS A 7 -4.779 8.249 -5.891 1.00 0.00 C ATOM 91 CG LYS A 7 -4.211 9.307 -6.840 1.00 0.00 C ATOM 92 CD LYS A 7 -3.900 8.664 -8.194 1.00 0.00 C ATOM 93 CE LYS A 7 -4.175 9.672 -9.313 1.00 0.00 C ATOM 94 NZ LYS A 7 -5.554 9.467 -9.839 1.00 0.00 N ATOM 0 H LYS A 7 -4.984 5.876 -4.592 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.872 7.300 -6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.559 7.676 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.242 8.729 -5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.927 10.119 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.306 9.743 -6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.858 8.344 -8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.512 7.773 -8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.066 10.689 -8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.447 9.549 -10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.741 10.152 -10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.643 8.501 -10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.242 9.605 -9.072 1.00 0.00 H new ATOM 108 N VAL A 8 -1.901 8.392 -4.143 1.00 0.00 N ATOM 109 CA VAL A 8 -1.278 8.905 -2.888 1.00 0.00 C ATOM 110 C VAL A 8 -1.746 10.340 -2.639 1.00 0.00 C ATOM 111 O VAL A 8 -1.323 11.263 -3.308 1.00 0.00 O ATOM 112 CB VAL A 8 0.246 8.885 -3.022 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.879 9.208 -1.668 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.705 7.498 -3.476 1.00 0.00 C ATOM 0 H VAL A 8 -1.343 8.523 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.575 8.271 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 8 0.553 9.628 -3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.965 9.194 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.555 10.196 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.569 8.464 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.791 7.487 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.397 6.754 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.254 7.263 -4.440 1.00 0.00 H new ATOM 124 N THR A 9 -2.615 10.531 -1.678 1.00 0.00 N ATOM 125 CA THR A 9 -3.113 11.906 -1.377 1.00 0.00 C ATOM 126 C THR A 9 -2.869 12.246 0.100 1.00 0.00 C ATOM 127 O THR A 9 -3.426 13.196 0.618 1.00 0.00 O ATOM 128 CB THR A 9 -4.613 11.979 -1.670 1.00 0.00 C ATOM 129 OG1 THR A 9 -4.879 11.373 -2.927 1.00 0.00 O ATOM 130 CG2 THR A 9 -5.057 13.443 -1.700 1.00 0.00 C ATOM 0 H THR A 9 -3.001 9.793 -1.089 1.00 0.00 H new ATOM 0 HA THR A 9 -2.578 12.621 -2.001 1.00 0.00 H new ATOM 0 HB THR A 9 -5.163 11.452 -0.891 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.840 11.418 -3.115 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.126 13.495 -1.909 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.853 13.905 -0.734 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.509 13.974 -2.479 1.00 0.00 H new ATOM 138 N ALA A 10 -2.043 11.487 0.781 1.00 0.00 N ATOM 139 CA ALA A 10 -1.769 11.773 2.218 1.00 0.00 C ATOM 140 C ALA A 10 -0.793 12.944 2.326 1.00 0.00 C ATOM 141 O ALA A 10 0.053 13.139 1.472 1.00 0.00 O ATOM 142 CB ALA A 10 -1.157 10.536 2.879 1.00 0.00 C ATOM 0 H ALA A 10 -1.548 10.681 0.399 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.701 12.028 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.957 10.746 3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.853 9.701 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.224 10.279 2.377 1.00 0.00 H new ATOM 148 N ASP A 11 -0.904 13.725 3.371 1.00 0.00 N ATOM 149 CA ASP A 11 0.017 14.886 3.544 1.00 0.00 C ATOM 150 C ASP A 11 1.432 14.374 3.819 1.00 0.00 C ATOM 151 O ASP A 11 2.372 14.729 3.134 1.00 0.00 O ATOM 152 CB ASP A 11 -0.457 15.740 4.722 1.00 0.00 C ATOM 153 CG ASP A 11 -1.453 16.788 4.224 1.00 0.00 C ATOM 154 OD1 ASP A 11 -2.598 16.429 4.002 1.00 0.00 O ATOM 155 OD2 ASP A 11 -1.055 17.931 4.074 1.00 0.00 O ATOM 0 H ASP A 11 -1.595 13.607 4.112 1.00 0.00 H new ATOM 0 HA ASP A 11 0.019 15.490 2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.924 15.109 5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.394 16.228 5.197 1.00 0.00 H new ATOM 160 N SER A 12 1.587 13.540 4.816 1.00 0.00 N ATOM 161 CA SER A 12 2.937 12.997 5.144 1.00 0.00 C ATOM 162 C SER A 12 3.421 12.103 3.999 1.00 0.00 C ATOM 163 O SER A 12 4.606 11.976 3.760 1.00 0.00 O ATOM 164 CB SER A 12 2.858 12.174 6.431 1.00 0.00 C ATOM 165 OG SER A 12 1.614 11.489 6.475 1.00 0.00 O ATOM 0 H SER A 12 0.832 13.211 5.418 1.00 0.00 H new ATOM 0 HA SER A 12 3.635 13.823 5.282 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.681 11.460 6.471 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.959 12.825 7.299 1.00 0.00 H new ATOM 0 HG SER A 12 1.561 10.959 7.298 1.00 0.00 H new ATOM 171 N GLY A 13 2.509 11.482 3.292 1.00 0.00 N ATOM 172 CA GLY A 13 2.907 10.592 2.162 1.00 0.00 C ATOM 173 C GLY A 13 2.892 9.137 2.632 1.00 0.00 C ATOM 174 O GLY A 13 2.253 8.801 3.612 1.00 0.00 O ATOM 0 H GLY A 13 1.504 11.555 3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.223 10.722 1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.902 10.861 1.806 1.00 0.00 H new ATOM 178 N ILE A 14 3.590 8.272 1.941 1.00 0.00 N ATOM 179 CA ILE A 14 3.621 6.835 2.344 1.00 0.00 C ATOM 180 C ILE A 14 4.985 6.510 2.962 1.00 0.00 C ATOM 181 O ILE A 14 5.841 5.924 2.326 1.00 0.00 O ATOM 182 CB ILE A 14 3.386 5.953 1.114 1.00 0.00 C ATOM 183 CG1 ILE A 14 2.067 6.355 0.447 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.310 4.484 1.540 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.981 5.718 -0.941 1.00 0.00 C ATOM 0 H ILE A 14 4.141 8.500 1.113 1.00 0.00 H new ATOM 0 HA ILE A 14 2.837 6.644 3.077 1.00 0.00 H new ATOM 0 HB ILE A 14 4.209 6.085 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.225 6.033 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.005 7.440 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.143 3.859 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.246 4.195 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.487 4.351 2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.042 6.004 -1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.816 6.062 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.024 4.633 -0.847 1.00 0.00 H new ATOM 218 N ALA A 16 7.178 5.395 6.875 1.00 0.00 N ATOM 219 CA ALA A 16 7.109 4.286 7.882 1.00 0.00 C ATOM 220 C ALA A 16 5.727 4.181 8.553 1.00 0.00 C ATOM 221 O ALA A 16 5.249 3.090 8.795 1.00 0.00 O ATOM 222 CB ALA A 16 8.167 4.526 8.959 1.00 0.00 C ATOM 0 HA ALA A 16 7.289 3.350 7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.124 3.724 9.696 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.156 4.545 8.500 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.977 5.480 9.450 1.00 0.00 H new ATOM 228 N ARG A 17 5.098 5.282 8.887 1.00 0.00 N ATOM 229 CA ARG A 17 3.764 5.204 9.578 1.00 0.00 C ATOM 230 C ARG A 17 2.747 4.414 8.723 1.00 0.00 C ATOM 231 O ARG A 17 2.247 3.398 9.171 1.00 0.00 O ATOM 232 CB ARG A 17 3.234 6.621 9.852 1.00 0.00 C ATOM 233 CG ARG A 17 3.079 6.838 11.362 1.00 0.00 C ATOM 234 CD ARG A 17 2.524 8.240 11.629 1.00 0.00 C ATOM 235 NE ARG A 17 3.637 9.149 12.021 1.00 0.00 N ATOM 236 CZ ARG A 17 3.504 9.935 13.055 1.00 0.00 C ATOM 237 NH1 ARG A 17 3.624 9.454 14.261 1.00 0.00 N ATOM 238 NH2 ARG A 17 3.251 11.204 12.881 1.00 0.00 N ATOM 0 H ARG A 17 5.444 6.226 8.714 1.00 0.00 H new ATOM 0 HA ARG A 17 3.895 4.679 10.524 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.919 7.361 9.438 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.274 6.762 9.355 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.410 6.086 11.780 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.043 6.718 11.857 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.026 8.621 10.738 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.776 8.202 12.421 1.00 0.00 H new ATOM 0 HE ARG A 17 4.503 9.157 11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.822 8.463 14.397 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.520 10.069 15.068 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.157 11.581 11.938 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.147 11.819 13.688 1.00 0.00 H new ATOM 252 N PRO A 18 2.458 4.879 7.520 1.00 0.00 N ATOM 253 CA PRO A 18 1.495 4.186 6.639 1.00 0.00 C ATOM 254 C PRO A 18 2.075 2.862 6.125 1.00 0.00 C ATOM 255 O PRO A 18 1.357 2.028 5.606 1.00 0.00 O ATOM 256 CB PRO A 18 1.264 5.176 5.494 1.00 0.00 C ATOM 257 CG PRO A 18 2.488 6.115 5.485 1.00 0.00 C ATOM 258 CD PRO A 18 3.052 6.098 6.916 1.00 0.00 C ATOM 0 HA PRO A 18 0.570 3.920 7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.166 4.654 4.542 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.343 5.738 5.645 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.235 5.774 4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.202 7.125 5.191 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.141 6.053 6.916 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.770 6.995 7.467 1.00 0.00 H new ATOM 266 N ALA A 19 3.361 2.654 6.279 1.00 0.00 N ATOM 267 CA ALA A 19 3.977 1.377 5.817 1.00 0.00 C ATOM 268 C ALA A 19 3.714 0.292 6.864 1.00 0.00 C ATOM 269 O ALA A 19 3.623 -0.879 6.546 1.00 0.00 O ATOM 270 CB ALA A 19 5.486 1.572 5.643 1.00 0.00 C ATOM 0 H ALA A 19 4.009 3.317 6.706 1.00 0.00 H new ATOM 0 HA ALA A 19 3.543 1.079 4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.937 0.639 5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.669 2.352 4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.927 1.864 6.596 1.00 0.00 H new ATOM 276 N THR A 20 3.580 0.679 8.108 1.00 0.00 N ATOM 277 CA THR A 20 3.309 -0.314 9.187 1.00 0.00 C ATOM 278 C THR A 20 1.816 -0.654 9.192 1.00 0.00 C ATOM 279 O THR A 20 1.419 -1.734 9.589 1.00 0.00 O ATOM 280 CB THR A 20 3.701 0.282 10.541 1.00 0.00 C ATOM 281 OG1 THR A 20 4.801 1.165 10.369 1.00 0.00 O ATOM 282 CG2 THR A 20 4.093 -0.843 11.503 1.00 0.00 C ATOM 0 H THR A 20 3.648 1.647 8.422 1.00 0.00 H new ATOM 0 HA THR A 20 3.892 -1.218 9.009 1.00 0.00 H new ATOM 0 HB THR A 20 2.855 0.832 10.954 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.489 2.001 9.964 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.372 -0.417 12.467 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.248 -1.519 11.636 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.938 -1.395 11.092 1.00 0.00 H new ATOM 290 N VAL A 21 0.988 0.260 8.746 1.00 0.00 N ATOM 291 CA VAL A 21 -0.480 -0.004 8.712 1.00 0.00 C ATOM 292 C VAL A 21 -0.766 -1.015 7.608 1.00 0.00 C ATOM 293 O VAL A 21 -1.574 -1.913 7.756 1.00 0.00 O ATOM 294 CB VAL A 21 -1.225 1.291 8.402 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.733 1.054 8.503 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.815 2.382 9.396 1.00 0.00 C ATOM 0 H VAL A 21 1.269 1.179 8.404 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.808 -0.390 9.677 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.972 1.612 7.391 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.263 1.981 8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.029 0.286 7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.983 0.726 9.512 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.352 3.303 9.167 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.059 2.062 10.409 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.258 2.559 9.320 1.00 0.00 H new ATOM 306 N LEU A 22 -0.103 -0.856 6.500 1.00 0.00 N ATOM 307 CA LEU A 22 -0.305 -1.772 5.351 1.00 0.00 C ATOM 308 C LEU A 22 0.251 -3.158 5.678 1.00 0.00 C ATOM 309 O LEU A 22 -0.436 -4.151 5.559 1.00 0.00 O ATOM 310 CB LEU A 22 0.435 -1.204 4.145 1.00 0.00 C ATOM 311 CG LEU A 22 -0.143 0.163 3.784 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.810 0.868 2.817 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.505 -0.018 3.110 1.00 0.00 C ATOM 0 H LEU A 22 0.582 -0.117 6.341 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.370 -1.862 5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.498 -1.113 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.344 -1.883 3.297 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.263 0.760 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.405 1.845 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.783 0.995 3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.923 0.267 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.916 0.958 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.386 -0.612 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.184 -0.529 3.793 1.00 0.00 H new ATOM 325 N VAL A 23 1.497 -3.236 6.077 1.00 0.00 N ATOM 326 CA VAL A 23 2.115 -4.562 6.398 1.00 0.00 C ATOM 327 C VAL A 23 1.247 -5.328 7.414 1.00 0.00 C ATOM 328 O VAL A 23 1.243 -6.544 7.443 1.00 0.00 O ATOM 329 CB VAL A 23 3.526 -4.338 6.968 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.442 -3.539 8.271 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.193 -5.690 7.241 1.00 0.00 C ATOM 0 H VAL A 23 2.116 -2.434 6.195 1.00 0.00 H new ATOM 0 HA VAL A 23 2.181 -5.158 5.487 1.00 0.00 H new ATOM 0 HB VAL A 23 4.118 -3.780 6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.445 -3.385 8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.976 -2.573 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.845 -4.090 8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.192 -5.528 7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.597 -6.251 7.961 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.264 -6.255 6.311 1.00 0.00 H new ATOM 341 N GLN A 24 0.521 -4.621 8.241 1.00 0.00 N ATOM 342 CA GLN A 24 -0.340 -5.297 9.257 1.00 0.00 C ATOM 343 C GLN A 24 -1.536 -5.964 8.568 1.00 0.00 C ATOM 344 O GLN A 24 -1.901 -7.079 8.890 1.00 0.00 O ATOM 345 CB GLN A 24 -0.846 -4.262 10.267 1.00 0.00 C ATOM 346 CG GLN A 24 0.250 -3.961 11.301 1.00 0.00 C ATOM 347 CD GLN A 24 -0.246 -4.315 12.707 1.00 0.00 C ATOM 348 OE1 GLN A 24 -1.092 -3.635 13.254 1.00 0.00 O ATOM 349 NE2 GLN A 24 0.247 -5.357 13.316 1.00 0.00 N ATOM 0 H GLN A 24 0.487 -3.602 8.256 1.00 0.00 H new ATOM 0 HA GLN A 24 0.246 -6.057 9.773 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.132 -3.346 9.750 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.738 -4.637 10.769 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.148 -4.533 11.068 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.523 -2.907 11.257 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.957 -5.928 12.857 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.077 -5.602 14.252 1.00 0.00 H new ATOM 358 N THR A 25 -2.153 -5.288 7.629 1.00 0.00 N ATOM 359 CA THR A 25 -3.331 -5.879 6.924 1.00 0.00 C ATOM 360 C THR A 25 -2.879 -7.044 6.037 1.00 0.00 C ATOM 361 O THR A 25 -3.321 -8.165 6.199 1.00 0.00 O ATOM 362 CB THR A 25 -3.996 -4.808 6.057 1.00 0.00 C ATOM 363 OG1 THR A 25 -4.086 -3.595 6.791 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.399 -5.271 5.657 1.00 0.00 C ATOM 0 H THR A 25 -1.890 -4.352 7.321 1.00 0.00 H new ATOM 0 HA THR A 25 -4.043 -6.247 7.663 1.00 0.00 H new ATOM 0 HB THR A 25 -3.400 -4.646 5.159 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.933 -3.148 6.582 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.872 -4.507 5.039 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.328 -6.201 5.093 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.997 -5.435 6.553 1.00 0.00 H new ATOM 372 N ALA A 26 -2.007 -6.783 5.095 1.00 0.00 N ATOM 373 CA ALA A 26 -1.521 -7.863 4.184 1.00 0.00 C ATOM 374 C ALA A 26 -0.902 -9.010 4.994 1.00 0.00 C ATOM 375 O ALA A 26 -0.805 -10.125 4.519 1.00 0.00 O ATOM 376 CB ALA A 26 -0.467 -7.290 3.233 1.00 0.00 C ATOM 0 H ALA A 26 -1.609 -5.861 4.917 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.367 -8.249 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.111 -8.077 2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.908 -6.487 2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.370 -6.898 3.811 1.00 0.00 H new ATOM 382 N SER A 27 -0.484 -8.749 6.212 1.00 0.00 N ATOM 383 CA SER A 27 0.127 -9.830 7.048 1.00 0.00 C ATOM 384 C SER A 27 -0.877 -10.973 7.222 1.00 0.00 C ATOM 385 O SER A 27 -0.528 -12.136 7.141 1.00 0.00 O ATOM 386 CB SER A 27 0.498 -9.264 8.421 1.00 0.00 C ATOM 387 OG SER A 27 0.778 -10.338 9.311 1.00 0.00 O ATOM 0 H SER A 27 -0.540 -7.835 6.661 1.00 0.00 H new ATOM 0 HA SER A 27 1.023 -10.207 6.555 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.367 -8.611 8.336 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.320 -8.657 8.810 1.00 0.00 H new ATOM 0 HG SER A 27 1.018 -9.980 10.191 1.00 0.00 H new ATOM 393 N LYS A 28 -2.122 -10.644 7.452 1.00 0.00 N ATOM 394 CA LYS A 28 -3.164 -11.697 7.625 1.00 0.00 C ATOM 395 C LYS A 28 -3.347 -12.455 6.307 1.00 0.00 C ATOM 396 O LYS A 28 -3.697 -13.620 6.296 1.00 0.00 O ATOM 397 CB LYS A 28 -4.488 -11.040 8.022 1.00 0.00 C ATOM 398 CG LYS A 28 -4.353 -10.405 9.411 1.00 0.00 C ATOM 399 CD LYS A 28 -5.148 -9.090 9.462 1.00 0.00 C ATOM 400 CE LYS A 28 -6.214 -9.168 10.560 1.00 0.00 C ATOM 401 NZ LYS A 28 -7.517 -9.573 9.961 1.00 0.00 N ATOM 0 H LYS A 28 -2.462 -9.685 7.528 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.853 -12.393 8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.763 -10.281 7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.286 -11.782 8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.721 -11.093 10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.303 -10.215 9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.475 -8.255 9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.620 -8.902 8.497 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.914 -9.886 11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.314 -8.201 11.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.240 -9.626 10.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.804 -8.872 9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.417 -10.504 9.509 1.00 0.00 H new ATOM 415 N TYR A 29 -3.116 -11.799 5.197 1.00 0.00 N ATOM 416 CA TYR A 29 -3.276 -12.473 3.873 1.00 0.00 C ATOM 417 C TYR A 29 -1.928 -13.037 3.422 1.00 0.00 C ATOM 418 O TYR A 29 -0.930 -12.342 3.403 1.00 0.00 O ATOM 419 CB TYR A 29 -3.787 -11.461 2.843 1.00 0.00 C ATOM 420 CG TYR A 29 -5.054 -10.821 3.361 1.00 0.00 C ATOM 421 CD1 TYR A 29 -6.289 -11.446 3.151 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.993 -9.610 4.060 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.462 -10.859 3.636 1.00 0.00 C ATOM 424 CE2 TYR A 29 -6.167 -9.023 4.547 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.402 -9.648 4.335 1.00 0.00 C ATOM 426 OH TYR A 29 -8.560 -9.071 4.816 1.00 0.00 O ATOM 0 H TYR A 29 -2.823 -10.823 5.151 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.994 -13.288 3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.030 -10.699 2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.979 -11.958 1.892 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.336 -12.382 2.614 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.040 -9.128 4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.415 -11.340 3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.120 -8.088 5.086 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.333 -8.378 5.471 1.00 0.00 H new ATOM 436 N ASP A 30 -1.893 -14.296 3.061 1.00 0.00 N ATOM 437 CA ASP A 30 -0.612 -14.917 2.612 1.00 0.00 C ATOM 438 C ASP A 30 -0.406 -14.702 1.105 1.00 0.00 C ATOM 439 O ASP A 30 0.496 -15.270 0.517 1.00 0.00 O ATOM 440 CB ASP A 30 -0.650 -16.419 2.906 1.00 0.00 C ATOM 441 CG ASP A 30 -0.658 -16.642 4.419 1.00 0.00 C ATOM 442 OD1 ASP A 30 -1.698 -16.438 5.023 1.00 0.00 O ATOM 443 OD2 ASP A 30 0.376 -17.014 4.949 1.00 0.00 O ATOM 0 H ASP A 30 -2.699 -14.921 3.059 1.00 0.00 H new ATOM 0 HA ASP A 30 0.213 -14.449 3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.537 -16.866 2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.215 -16.910 2.460 1.00 0.00 H new ATOM 448 N ALA A 31 -1.226 -13.893 0.474 1.00 0.00 N ATOM 449 CA ALA A 31 -1.062 -13.653 -0.990 1.00 0.00 C ATOM 450 C ALA A 31 0.222 -12.858 -1.238 1.00 0.00 C ATOM 451 O ALA A 31 0.950 -12.538 -0.316 1.00 0.00 O ATOM 452 CB ALA A 31 -2.261 -12.862 -1.514 1.00 0.00 C ATOM 0 H ALA A 31 -1.999 -13.391 0.912 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.002 -14.609 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.142 -12.686 -2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.175 -13.429 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.322 -11.906 -0.994 1.00 0.00 H new ATOM 458 N ASP A 32 0.499 -12.535 -2.475 1.00 0.00 N ATOM 459 CA ASP A 32 1.730 -11.756 -2.796 1.00 0.00 C ATOM 460 C ASP A 32 1.335 -10.323 -3.164 1.00 0.00 C ATOM 461 O ASP A 32 1.332 -9.945 -4.320 1.00 0.00 O ATOM 462 CB ASP A 32 2.458 -12.409 -3.973 1.00 0.00 C ATOM 463 CG ASP A 32 2.897 -13.823 -3.583 1.00 0.00 C ATOM 464 OD1 ASP A 32 2.072 -14.552 -3.056 1.00 0.00 O ATOM 465 OD2 ASP A 32 4.048 -14.151 -3.819 1.00 0.00 O ATOM 0 H ASP A 32 -0.078 -12.779 -3.280 1.00 0.00 H new ATOM 0 HA ASP A 32 2.392 -11.742 -1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.803 -12.448 -4.843 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.326 -11.812 -4.254 1.00 0.00 H new ATOM 470 N VAL A 33 0.998 -9.528 -2.182 1.00 0.00 N ATOM 471 CA VAL A 33 0.594 -8.117 -2.456 1.00 0.00 C ATOM 472 C VAL A 33 1.833 -7.218 -2.424 1.00 0.00 C ATOM 473 O VAL A 33 2.561 -7.185 -1.450 1.00 0.00 O ATOM 474 CB VAL A 33 -0.409 -7.661 -1.387 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.685 -8.516 -1.478 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.216 -7.808 0.011 1.00 0.00 C ATOM 0 H VAL A 33 0.985 -9.797 -1.198 1.00 0.00 H new ATOM 0 HA VAL A 33 0.128 -8.051 -3.439 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.663 -6.615 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.396 -8.191 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.131 -8.400 -2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.433 -9.564 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.500 -7.483 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.478 -8.852 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.114 -7.194 0.075 1.00 0.00 H new ATOM 486 N ASN A 34 2.076 -6.494 -3.487 1.00 0.00 N ATOM 487 CA ASN A 34 3.268 -5.597 -3.533 1.00 0.00 C ATOM 488 C ASN A 34 2.867 -4.234 -4.100 1.00 0.00 C ATOM 489 O ASN A 34 2.053 -4.142 -5.000 1.00 0.00 O ATOM 490 CB ASN A 34 4.336 -6.224 -4.431 1.00 0.00 C ATOM 491 CG ASN A 34 4.646 -7.640 -3.944 1.00 0.00 C ATOM 492 OD1 ASN A 34 5.668 -7.875 -3.331 1.00 0.00 O ATOM 493 ND2 ASN A 34 3.798 -8.602 -4.192 1.00 0.00 N ATOM 0 H ASN A 34 1.498 -6.486 -4.327 1.00 0.00 H new ATOM 0 HA ASN A 34 3.662 -5.467 -2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.988 -6.251 -5.463 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.241 -5.617 -4.416 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.994 -9.550 -3.871 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.940 -8.405 -4.707 1.00 0.00 H new ATOM 500 N LEU A 35 3.437 -3.178 -3.580 1.00 0.00 N ATOM 501 CA LEU A 35 3.103 -1.812 -4.083 1.00 0.00 C ATOM 502 C LEU A 35 4.047 -1.446 -5.231 1.00 0.00 C ATOM 503 O LEU A 35 5.115 -2.013 -5.370 1.00 0.00 O ATOM 504 CB LEU A 35 3.261 -0.800 -2.948 1.00 0.00 C ATOM 505 CG LEU A 35 2.648 0.538 -3.367 1.00 0.00 C ATOM 506 CD1 LEU A 35 2.022 1.218 -2.147 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.739 1.441 -3.949 1.00 0.00 C ATOM 0 H LEU A 35 4.123 -3.203 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 35 2.074 -1.797 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.772 -1.170 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.316 -0.669 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 35 1.880 0.364 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.585 2.171 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.244 0.577 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.790 1.391 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.302 2.394 -4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.508 1.614 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.185 0.958 -4.819 1.00 0.00 H new ATOM 519 N GLU A 36 3.661 -0.505 -6.055 1.00 0.00 N ATOM 520 CA GLU A 36 4.531 -0.097 -7.201 1.00 0.00 C ATOM 521 C GLU A 36 4.741 1.419 -7.174 1.00 0.00 C ATOM 522 O GLU A 36 3.795 2.183 -7.148 1.00 0.00 O ATOM 523 CB GLU A 36 3.853 -0.494 -8.517 1.00 0.00 C ATOM 524 CG GLU A 36 4.795 -0.207 -9.688 1.00 0.00 C ATOM 525 CD GLU A 36 4.529 -1.208 -10.813 1.00 0.00 C ATOM 526 OE1 GLU A 36 4.773 -2.384 -10.603 1.00 0.00 O ATOM 527 OE2 GLU A 36 4.087 -0.781 -11.868 1.00 0.00 O ATOM 0 H GLU A 36 2.778 0.000 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 36 5.497 -0.596 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.592 -1.552 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.923 0.062 -8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.644 0.810 -10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.832 -0.279 -9.360 1.00 0.00 H new ATOM 534 N TYR A 37 5.976 1.858 -7.179 1.00 0.00 N ATOM 535 CA TYR A 37 6.254 3.326 -7.153 1.00 0.00 C ATOM 536 C TYR A 37 7.681 3.593 -7.648 1.00 0.00 C ATOM 537 O TYR A 37 8.587 2.820 -7.405 1.00 0.00 O ATOM 538 CB TYR A 37 6.102 3.847 -5.722 1.00 0.00 C ATOM 539 CG TYR A 37 6.260 5.350 -5.706 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.179 6.172 -6.049 1.00 0.00 C ATOM 541 CD2 TYR A 37 7.488 5.921 -5.351 1.00 0.00 C ATOM 542 CE1 TYR A 37 5.328 7.564 -6.037 1.00 0.00 C ATOM 543 CE2 TYR A 37 7.636 7.313 -5.337 1.00 0.00 C ATOM 544 CZ TYR A 37 6.556 8.135 -5.681 1.00 0.00 C ATOM 545 OH TYR A 37 6.701 9.506 -5.668 1.00 0.00 O ATOM 0 H TYR A 37 6.803 1.262 -7.200 1.00 0.00 H new ATOM 0 HA TYR A 37 5.547 3.839 -7.805 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.125 3.570 -5.326 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.849 3.386 -5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.231 5.732 -6.323 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.322 5.287 -5.088 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.495 8.198 -6.303 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.583 7.753 -5.061 1.00 0.00 H new ATOM 0 HH TYR A 37 7.614 9.736 -5.398 1.00 0.00 H new ATOM 555 N ASN A 38 7.881 4.693 -8.330 1.00 0.00 N ATOM 556 CA ASN A 38 9.244 5.039 -8.842 1.00 0.00 C ATOM 557 C ASN A 38 9.728 3.960 -9.815 1.00 0.00 C ATOM 558 O ASN A 38 10.904 3.656 -9.878 1.00 0.00 O ATOM 559 CB ASN A 38 10.225 5.145 -7.670 1.00 0.00 C ATOM 560 CG ASN A 38 11.309 6.172 -8.003 1.00 0.00 C ATOM 561 OD1 ASN A 38 11.747 6.266 -9.133 1.00 0.00 O ATOM 562 ND2 ASN A 38 11.762 6.952 -7.061 1.00 0.00 N ATOM 0 H ASN A 38 7.154 5.371 -8.556 1.00 0.00 H new ATOM 0 HA ASN A 38 9.194 5.995 -9.363 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.695 5.440 -6.764 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.678 4.174 -7.472 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.484 7.641 -7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.394 6.873 -6.113 1.00 0.00 H new ATOM 569 N GLY A 39 8.831 3.386 -10.578 1.00 0.00 N ATOM 570 CA GLY A 39 9.235 2.330 -11.556 1.00 0.00 C ATOM 571 C GLY A 39 9.864 1.148 -10.815 1.00 0.00 C ATOM 572 O GLY A 39 10.708 0.451 -11.348 1.00 0.00 O ATOM 0 H GLY A 39 7.835 3.604 -10.565 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.366 1.995 -12.122 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.945 2.740 -12.274 1.00 0.00 H new ATOM 576 N LYS A 40 9.456 0.917 -9.594 1.00 0.00 N ATOM 577 CA LYS A 40 10.019 -0.220 -8.810 1.00 0.00 C ATOM 578 C LYS A 40 8.879 -0.958 -8.112 1.00 0.00 C ATOM 579 O LYS A 40 7.727 -0.583 -8.230 1.00 0.00 O ATOM 580 CB LYS A 40 11.001 0.313 -7.765 1.00 0.00 C ATOM 581 CG LYS A 40 12.149 1.040 -8.469 1.00 0.00 C ATOM 582 CD LYS A 40 13.098 0.015 -9.100 1.00 0.00 C ATOM 583 CE LYS A 40 14.286 -0.234 -8.166 1.00 0.00 C ATOM 584 NZ LYS A 40 15.527 -0.390 -8.974 1.00 0.00 N ATOM 0 H LYS A 40 8.753 1.471 -9.105 1.00 0.00 H new ATOM 0 HA LYS A 40 10.544 -0.903 -9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.490 0.992 -7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.391 -0.509 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.755 1.706 -9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.691 1.661 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.568 -0.919 -9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.452 0.379 -10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.395 0.597 -7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.112 -1.130 -7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.335 -0.559 -8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.420 -1.196 -9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.694 0.477 -9.524 1.00 0.00 H new ATOM 598 N THR A 41 9.185 -2.006 -7.390 1.00 0.00 N ATOM 599 CA THR A 41 8.112 -2.770 -6.689 1.00 0.00 C ATOM 600 C THR A 41 8.623 -3.269 -5.337 1.00 0.00 C ATOM 601 O THR A 41 9.501 -4.107 -5.266 1.00 0.00 O ATOM 602 CB THR A 41 7.697 -3.967 -7.548 1.00 0.00 C ATOM 603 OG1 THR A 41 7.516 -3.543 -8.892 1.00 0.00 O ATOM 604 CG2 THR A 41 6.388 -4.551 -7.014 1.00 0.00 C ATOM 0 H THR A 41 10.131 -2.364 -7.256 1.00 0.00 H new ATOM 0 HA THR A 41 7.255 -2.116 -6.528 1.00 0.00 H new ATOM 0 HB THR A 41 8.475 -4.730 -7.509 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.252 -4.309 -9.444 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.093 -5.403 -7.626 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.528 -4.876 -5.983 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.608 -3.790 -7.052 1.00 0.00 H new ATOM 612 N VAL A 42 8.061 -2.769 -4.265 1.00 0.00 N ATOM 613 CA VAL A 42 8.492 -3.224 -2.906 1.00 0.00 C ATOM 614 C VAL A 42 7.411 -4.127 -2.323 1.00 0.00 C ATOM 615 O VAL A 42 6.235 -3.947 -2.582 1.00 0.00 O ATOM 616 CB VAL A 42 8.708 -2.035 -1.949 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.131 -1.497 -2.106 1.00 0.00 C ATOM 618 CG2 VAL A 42 7.700 -0.911 -2.231 1.00 0.00 C ATOM 0 H VAL A 42 7.322 -2.066 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 42 9.437 -3.757 -3.011 1.00 0.00 H new ATOM 0 HB VAL A 42 8.557 -2.386 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.279 -0.657 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.846 -2.285 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.283 -1.165 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.874 -0.085 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.823 -0.561 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.687 -1.289 -2.095 1.00 0.00 H new ATOM 628 N ASN A 43 7.799 -5.092 -1.534 1.00 0.00 N ATOM 629 CA ASN A 43 6.798 -6.007 -0.924 1.00 0.00 C ATOM 630 C ASN A 43 5.961 -5.225 0.087 1.00 0.00 C ATOM 631 O ASN A 43 6.485 -4.476 0.889 1.00 0.00 O ATOM 632 CB ASN A 43 7.519 -7.154 -0.210 1.00 0.00 C ATOM 633 CG ASN A 43 6.516 -8.260 0.131 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.324 -8.027 0.177 1.00 0.00 O ATOM 635 ND2 ASN A 43 6.954 -9.466 0.375 1.00 0.00 N ATOM 0 H ASN A 43 8.769 -5.285 -1.286 1.00 0.00 H new ATOM 0 HA ASN A 43 6.153 -6.416 -1.701 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.311 -7.551 -0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.994 -6.787 0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.296 -10.211 0.604 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.954 -9.663 0.337 1.00 0.00 H new ATOM 642 N LEU A 44 4.662 -5.399 0.061 1.00 0.00 N ATOM 643 CA LEU A 44 3.774 -4.672 1.026 1.00 0.00 C ATOM 644 C LEU A 44 4.269 -4.923 2.460 1.00 0.00 C ATOM 645 O LEU A 44 4.092 -4.103 3.342 1.00 0.00 O ATOM 646 CB LEU A 44 2.336 -5.189 0.849 1.00 0.00 C ATOM 647 CG LEU A 44 1.297 -4.185 1.389 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.424 -4.071 2.908 1.00 0.00 C ATOM 649 CD2 LEU A 44 1.489 -2.800 0.744 1.00 0.00 C ATOM 0 H LEU A 44 4.175 -6.016 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 44 3.797 -3.599 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.145 -5.377 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.225 -6.141 1.368 1.00 0.00 H new ATOM 0 HG LEU A 44 0.302 -4.550 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.687 -3.360 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.250 -5.047 3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.425 -3.725 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.745 -2.108 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.488 -2.428 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.370 -2.882 -0.336 1.00 0.00 H new ATOM 661 N LYS A 45 4.920 -6.040 2.684 1.00 0.00 N ATOM 662 CA LYS A 45 5.461 -6.341 4.041 1.00 0.00 C ATOM 663 C LYS A 45 6.893 -5.797 4.130 1.00 0.00 C ATOM 664 O LYS A 45 7.833 -6.520 4.407 1.00 0.00 O ATOM 665 CB LYS A 45 5.465 -7.856 4.264 1.00 0.00 C ATOM 666 CG LYS A 45 4.025 -8.376 4.285 1.00 0.00 C ATOM 667 CD LYS A 45 3.549 -8.653 2.851 1.00 0.00 C ATOM 668 CE LYS A 45 2.869 -10.023 2.785 1.00 0.00 C ATOM 669 NZ LYS A 45 1.810 -10.107 3.831 1.00 0.00 N ATOM 0 H LYS A 45 5.099 -6.757 1.980 1.00 0.00 H new ATOM 0 HA LYS A 45 4.841 -5.872 4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.029 -8.349 3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.962 -8.094 5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.967 -9.288 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.372 -7.644 4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.854 -7.876 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.396 -8.624 2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.432 -10.176 1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.605 -10.813 2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.099 -10.786 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.672 -9.170 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.919 -10.424 3.398 1.00 0.00 H new ATOM 683 N SER A 46 7.056 -4.520 3.895 1.00 0.00 N ATOM 684 CA SER A 46 8.409 -3.896 3.959 1.00 0.00 C ATOM 685 C SER A 46 8.252 -2.469 4.475 1.00 0.00 C ATOM 686 O SER A 46 8.077 -1.537 3.712 1.00 0.00 O ATOM 687 CB SER A 46 9.039 -3.878 2.562 1.00 0.00 C ATOM 688 OG SER A 46 10.453 -3.963 2.684 1.00 0.00 O ATOM 0 H SER A 46 6.300 -3.877 3.659 1.00 0.00 H new ATOM 0 HA SER A 46 9.056 -4.467 4.625 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.663 -4.712 1.970 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.762 -2.964 2.037 1.00 0.00 H new ATOM 0 HG SER A 46 10.859 -3.954 1.792 1.00 0.00 H new ATOM 694 N ILE A 47 8.289 -2.301 5.768 1.00 0.00 N ATOM 695 CA ILE A 47 8.118 -0.943 6.359 1.00 0.00 C ATOM 696 C ILE A 47 9.336 -0.074 6.035 1.00 0.00 C ATOM 697 O ILE A 47 9.207 1.103 5.754 1.00 0.00 O ATOM 698 CB ILE A 47 7.954 -1.063 7.875 1.00 0.00 C ATOM 699 CG1 ILE A 47 6.824 -2.064 8.177 1.00 0.00 C ATOM 700 CG2 ILE A 47 7.609 0.316 8.450 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.571 -2.138 9.687 1.00 0.00 C ATOM 0 H ILE A 47 8.431 -3.051 6.445 1.00 0.00 H new ATOM 0 HA ILE A 47 7.229 -0.476 5.935 1.00 0.00 H new ATOM 0 HB ILE A 47 8.878 -1.418 8.331 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.912 -1.760 7.663 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.091 -3.050 7.797 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.490 0.240 9.531 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.412 1.017 8.222 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.679 0.673 8.007 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.770 -2.849 9.887 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.480 -2.464 10.193 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.283 -1.154 10.056 1.00 0.00 H new ATOM 713 N MET A 48 10.514 -0.642 6.075 1.00 0.00 N ATOM 714 CA MET A 48 11.742 0.151 5.772 1.00 0.00 C ATOM 715 C MET A 48 11.943 0.232 4.256 1.00 0.00 C ATOM 716 O MET A 48 12.499 1.188 3.749 1.00 0.00 O ATOM 717 CB MET A 48 12.958 -0.526 6.410 1.00 0.00 C ATOM 718 CG MET A 48 14.130 0.455 6.437 1.00 0.00 C ATOM 719 SD MET A 48 15.258 0.014 7.783 1.00 0.00 S ATOM 720 CE MET A 48 14.726 1.288 8.951 1.00 0.00 C ATOM 0 H MET A 48 10.678 -1.622 6.305 1.00 0.00 H new ATOM 0 HA MET A 48 11.630 1.157 6.177 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.718 -0.850 7.422 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.229 -1.418 5.845 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.658 0.433 5.484 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.763 1.472 6.575 1.00 0.00 H new ATOM 0 HE1 MET A 48 15.302 1.201 9.872 1.00 0.00 H new ATOM 0 HE2 MET A 48 14.888 2.273 8.514 1.00 0.00 H new ATOM 0 HE3 MET A 48 13.667 1.159 9.172 1.00 0.00 H new ATOM 730 N GLY A 49 11.500 -0.765 3.533 1.00 0.00 N ATOM 731 CA GLY A 49 11.665 -0.755 2.049 1.00 0.00 C ATOM 732 C GLY A 49 10.848 0.390 1.447 1.00 0.00 C ATOM 733 O GLY A 49 11.306 1.092 0.566 1.00 0.00 O ATOM 0 H GLY A 49 11.029 -1.588 3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.718 -0.638 1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.338 -1.707 1.631 1.00 0.00 H new ATOM 737 N VAL A 50 9.639 0.578 1.912 1.00 0.00 N ATOM 738 CA VAL A 50 8.783 1.673 1.369 1.00 0.00 C ATOM 739 C VAL A 50 9.378 3.027 1.765 1.00 0.00 C ATOM 740 O VAL A 50 9.292 3.991 1.026 1.00 0.00 O ATOM 741 CB VAL A 50 7.367 1.549 1.941 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.458 2.599 1.297 1.00 0.00 C ATOM 743 CG2 VAL A 50 6.813 0.152 1.642 1.00 0.00 C ATOM 0 H VAL A 50 9.208 0.018 2.647 1.00 0.00 H new ATOM 0 HA VAL A 50 8.741 1.597 0.282 1.00 0.00 H new ATOM 0 HB VAL A 50 7.401 1.707 3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.451 2.509 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.847 3.595 1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.427 2.442 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.806 0.065 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.783 -0.004 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.456 -0.600 2.100 1.00 0.00 H new ATOM 753 N VAL A 51 9.977 3.105 2.926 1.00 0.00 N ATOM 754 CA VAL A 51 10.579 4.393 3.380 1.00 0.00 C ATOM 755 C VAL A 51 11.762 4.753 2.476 1.00 0.00 C ATOM 756 O VAL A 51 12.079 5.912 2.291 1.00 0.00 O ATOM 757 CB VAL A 51 11.062 4.250 4.828 1.00 0.00 C ATOM 758 CG1 VAL A 51 11.577 5.600 5.333 1.00 0.00 C ATOM 759 CG2 VAL A 51 9.899 3.788 5.712 1.00 0.00 C ATOM 0 H VAL A 51 10.075 2.329 3.581 1.00 0.00 H new ATOM 0 HA VAL A 51 9.830 5.183 3.325 1.00 0.00 H new ATOM 0 HB VAL A 51 11.866 3.515 4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.920 5.497 6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.405 5.931 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.773 6.335 5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.243 3.686 6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.095 4.523 5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.531 2.826 5.356 1.00 0.00 H new ATOM 769 N SER A 52 12.416 3.766 1.914 1.00 0.00 N ATOM 770 CA SER A 52 13.582 4.044 1.024 1.00 0.00 C ATOM 771 C SER A 52 13.122 4.859 -0.188 1.00 0.00 C ATOM 772 O SER A 52 13.848 5.693 -0.695 1.00 0.00 O ATOM 773 CB SER A 52 14.189 2.723 0.550 1.00 0.00 C ATOM 774 OG SER A 52 13.336 2.137 -0.426 1.00 0.00 O ATOM 0 H SER A 52 12.191 2.779 2.035 1.00 0.00 H new ATOM 0 HA SER A 52 14.331 4.611 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.179 2.895 0.128 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.316 2.044 1.393 1.00 0.00 H new ATOM 0 HG SER A 52 12.780 1.449 -0.004 1.00 0.00 H new ATOM 780 N LEU A 53 11.923 4.620 -0.654 1.00 0.00 N ATOM 781 CA LEU A 53 11.409 5.376 -1.835 1.00 0.00 C ATOM 782 C LEU A 53 11.128 6.825 -1.432 1.00 0.00 C ATOM 783 O LEU A 53 11.510 7.752 -2.120 1.00 0.00 O ATOM 784 CB LEU A 53 10.117 4.725 -2.335 1.00 0.00 C ATOM 785 CG LEU A 53 10.447 3.404 -3.033 1.00 0.00 C ATOM 786 CD1 LEU A 53 10.331 2.255 -2.030 1.00 0.00 C ATOM 787 CD2 LEU A 53 9.465 3.176 -4.184 1.00 0.00 C ATOM 0 H LEU A 53 11.277 3.933 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 53 12.155 5.359 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.440 4.548 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.603 5.395 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 53 11.463 3.444 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.566 1.314 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.030 2.417 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.314 2.215 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.700 2.235 -4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.449 3.136 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.546 3.995 -4.899 1.00 0.00 H new ATOM 799 N GLY A 54 10.462 7.022 -0.322 1.00 0.00 N ATOM 800 CA GLY A 54 10.151 8.409 0.133 1.00 0.00 C ATOM 801 C GLY A 54 9.080 9.017 -0.775 1.00 0.00 C ATOM 802 O GLY A 54 9.328 9.970 -1.488 1.00 0.00 O ATOM 0 H GLY A 54 10.120 6.280 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.802 8.395 1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.053 9.021 0.110 1.00 0.00 H new ATOM 806 N ILE A 55 7.891 8.470 -0.750 1.00 0.00 N ATOM 807 CA ILE A 55 6.795 9.007 -1.608 1.00 0.00 C ATOM 808 C ILE A 55 6.244 10.288 -0.980 1.00 0.00 C ATOM 809 O ILE A 55 6.461 10.561 0.186 1.00 0.00 O ATOM 810 CB ILE A 55 5.677 7.966 -1.722 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.255 6.644 -2.238 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.608 8.463 -2.699 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.434 5.478 -1.684 1.00 0.00 C ATOM 0 H ILE A 55 7.633 7.672 -0.170 1.00 0.00 H new ATOM 0 HA ILE A 55 7.183 9.227 -2.603 1.00 0.00 H new ATOM 0 HB ILE A 55 5.231 7.812 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.239 6.629 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.297 6.547 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.814 7.720 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.191 9.402 -2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.057 8.620 -3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.845 4.537 -2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.473 5.491 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.399 5.574 -2.011 1.00 0.00 H new ATOM 825 N ALA A 56 5.538 11.075 -1.749 1.00 0.00 N ATOM 826 CA ALA A 56 4.975 12.346 -1.211 1.00 0.00 C ATOM 827 C ALA A 56 3.515 12.488 -1.650 1.00 0.00 C ATOM 828 O ALA A 56 2.953 11.596 -2.258 1.00 0.00 O ATOM 829 CB ALA A 56 5.792 13.523 -1.749 1.00 0.00 C ATOM 0 H ALA A 56 5.327 10.890 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 56 5.021 12.336 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.386 14.456 -1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.830 13.420 -1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.743 13.532 -2.838 1.00 0.00 H new ATOM 835 N LYS A 57 2.900 13.602 -1.343 1.00 0.00 N ATOM 836 CA LYS A 57 1.476 13.811 -1.736 1.00 0.00 C ATOM 837 C LYS A 57 1.390 14.027 -3.249 1.00 0.00 C ATOM 838 O LYS A 57 2.327 14.486 -3.872 1.00 0.00 O ATOM 839 CB LYS A 57 0.923 15.042 -1.015 1.00 0.00 C ATOM 840 CG LYS A 57 1.834 16.242 -1.277 1.00 0.00 C ATOM 841 CD LYS A 57 1.069 17.538 -0.992 1.00 0.00 C ATOM 842 CE LYS A 57 -0.051 17.724 -2.024 1.00 0.00 C ATOM 843 NZ LYS A 57 -1.362 17.811 -1.321 1.00 0.00 N ATOM 0 H LYS A 57 3.326 14.378 -0.835 1.00 0.00 H new ATOM 0 HA LYS A 57 0.891 12.934 -1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.087 15.257 -1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.857 14.850 0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.720 16.184 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.179 16.231 -2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.648 17.508 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.751 18.388 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.123 18.629 -2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.057 16.890 -2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.123 17.937 -2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.527 16.936 -0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.353 18.621 -0.669 1.00 0.00 H new ATOM 857 N GLY A 58 0.269 13.698 -3.840 1.00 0.00 N ATOM 858 CA GLY A 58 0.110 13.880 -5.312 1.00 0.00 C ATOM 859 C GLY A 58 1.003 12.882 -6.049 1.00 0.00 C ATOM 860 O GLY A 58 1.824 13.258 -6.866 1.00 0.00 O ATOM 0 H GLY A 58 -0.545 13.310 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.932 13.732 -5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.376 14.899 -5.594 1.00 0.00 H new ATOM 864 N ALA A 59 0.852 11.615 -5.764 1.00 0.00 N ATOM 865 CA ALA A 59 1.689 10.584 -6.441 1.00 0.00 C ATOM 866 C ALA A 59 0.796 9.442 -6.933 1.00 0.00 C ATOM 867 O ALA A 59 -0.406 9.458 -6.743 1.00 0.00 O ATOM 868 CB ALA A 59 2.724 10.039 -5.451 1.00 0.00 C ATOM 0 H ALA A 59 0.181 11.250 -5.088 1.00 0.00 H new ATOM 0 HA ALA A 59 2.202 11.032 -7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.337 9.285 -5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.360 10.854 -5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.212 9.590 -4.600 1.00 0.00 H new ATOM 874 N GLU A 60 1.378 8.453 -7.563 1.00 0.00 N ATOM 875 CA GLU A 60 0.573 7.305 -8.072 1.00 0.00 C ATOM 876 C GLU A 60 1.253 5.992 -7.676 1.00 0.00 C ATOM 877 O GLU A 60 2.465 5.878 -7.708 1.00 0.00 O ATOM 878 CB GLU A 60 0.474 7.390 -9.596 1.00 0.00 C ATOM 879 CG GLU A 60 -0.404 8.580 -9.985 1.00 0.00 C ATOM 880 CD GLU A 60 -0.432 8.717 -11.508 1.00 0.00 C ATOM 881 OE1 GLU A 60 0.627 8.650 -12.110 1.00 0.00 O ATOM 882 OE2 GLU A 60 -1.513 8.888 -12.048 1.00 0.00 O ATOM 0 H GLU A 60 2.380 8.393 -7.747 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.427 7.340 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.468 7.501 -10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.053 6.468 -9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.415 8.440 -9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.017 9.494 -9.534 1.00 0.00 H new ATOM 889 N ILE A 61 0.482 5.004 -7.303 1.00 0.00 N ATOM 890 CA ILE A 61 1.074 3.694 -6.901 1.00 0.00 C ATOM 891 C ILE A 61 0.230 2.555 -7.477 1.00 0.00 C ATOM 892 O ILE A 61 -0.911 2.749 -7.853 1.00 0.00 O ATOM 893 CB ILE A 61 1.099 3.594 -5.374 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.305 3.866 -4.822 1.00 0.00 C ATOM 895 CG2 ILE A 61 2.079 4.627 -4.813 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.312 3.653 -3.306 1.00 0.00 C ATOM 0 H ILE A 61 -0.536 5.049 -7.259 1.00 0.00 H new ATOM 0 HA ILE A 61 2.091 3.620 -7.285 1.00 0.00 H new ATOM 0 HB ILE A 61 1.417 2.594 -5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.608 4.886 -5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.028 3.202 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.098 4.557 -3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.077 4.433 -5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.761 5.627 -5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.311 3.847 -2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.028 2.625 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.398 4.335 -2.839 1.00 0.00 H new ATOM 908 N THR A 62 0.785 1.371 -7.551 1.00 0.00 N ATOM 909 CA THR A 62 0.019 0.216 -8.107 1.00 0.00 C ATOM 910 C THR A 62 0.201 -1.006 -7.202 1.00 0.00 C ATOM 911 O THR A 62 1.305 -1.461 -6.973 1.00 0.00 O ATOM 912 CB THR A 62 0.537 -0.109 -9.511 1.00 0.00 C ATOM 913 OG1 THR A 62 1.023 1.078 -10.121 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.600 -0.689 -10.354 1.00 0.00 C ATOM 0 H THR A 62 1.735 1.155 -7.250 1.00 0.00 H new ATOM 0 HA THR A 62 -1.039 0.474 -8.158 1.00 0.00 H new ATOM 0 HB THR A 62 1.344 -0.839 -9.441 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.357 0.871 -11.019 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.231 -0.920 -11.353 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.973 -1.600 -9.885 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.408 0.039 -10.425 1.00 0.00 H new ATOM 922 N ILE A 63 -0.879 -1.537 -6.691 1.00 0.00 N ATOM 923 CA ILE A 63 -0.791 -2.733 -5.802 1.00 0.00 C ATOM 924 C ILE A 63 -1.251 -3.970 -6.582 1.00 0.00 C ATOM 925 O ILE A 63 -2.082 -3.881 -7.466 1.00 0.00 O ATOM 926 CB ILE A 63 -1.691 -2.514 -4.577 1.00 0.00 C ATOM 927 CG1 ILE A 63 -1.176 -1.306 -3.789 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.674 -3.755 -3.679 1.00 0.00 C ATOM 929 CD1 ILE A 63 -2.137 -0.990 -2.641 1.00 0.00 C ATOM 0 H ILE A 63 -1.825 -1.191 -6.853 1.00 0.00 H new ATOM 0 HA ILE A 63 0.236 -2.882 -5.469 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.714 -2.334 -4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.181 -1.514 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.085 -0.442 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.316 -3.587 -2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.039 -4.615 -4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.655 -3.947 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.767 -0.130 -2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.124 -0.763 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.206 -1.851 -1.977 1.00 0.00 H new ATOM 941 N SER A 64 -0.710 -5.121 -6.262 1.00 0.00 N ATOM 942 CA SER A 64 -1.111 -6.364 -6.984 1.00 0.00 C ATOM 943 C SER A 64 -0.979 -7.576 -6.058 1.00 0.00 C ATOM 944 O SER A 64 0.110 -7.966 -5.682 1.00 0.00 O ATOM 945 CB SER A 64 -0.208 -6.555 -8.202 1.00 0.00 C ATOM 946 OG SER A 64 1.127 -6.205 -7.858 1.00 0.00 O ATOM 0 H SER A 64 -0.009 -5.251 -5.532 1.00 0.00 H new ATOM 0 HA SER A 64 -2.149 -6.272 -7.304 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.249 -7.590 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.557 -5.936 -9.028 1.00 0.00 H new ATOM 0 HG SER A 64 1.361 -6.612 -6.998 1.00 0.00 H new ATOM 952 N ALA A 65 -2.084 -8.181 -5.704 1.00 0.00 N ATOM 953 CA ALA A 65 -2.041 -9.381 -4.817 1.00 0.00 C ATOM 954 C ALA A 65 -2.001 -10.638 -5.689 1.00 0.00 C ATOM 955 O ALA A 65 -2.741 -10.755 -6.648 1.00 0.00 O ATOM 956 CB ALA A 65 -3.292 -9.409 -3.935 1.00 0.00 C ATOM 0 H ALA A 65 -3.019 -7.893 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.156 -9.342 -4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.261 -10.285 -3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.327 -8.507 -3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.180 -9.455 -4.565 1.00 0.00 H new ATOM 962 N SER A 66 -1.143 -11.575 -5.371 1.00 0.00 N ATOM 963 CA SER A 66 -1.053 -12.820 -6.191 1.00 0.00 C ATOM 964 C SER A 66 -0.737 -14.017 -5.286 1.00 0.00 C ATOM 965 O SER A 66 0.391 -14.207 -4.869 1.00 0.00 O ATOM 966 CB SER A 66 0.049 -12.656 -7.242 1.00 0.00 C ATOM 967 OG SER A 66 -0.528 -12.732 -8.539 1.00 0.00 O ATOM 0 H SER A 66 -0.502 -11.531 -4.579 1.00 0.00 H new ATOM 0 HA SER A 66 -2.006 -12.996 -6.690 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.554 -11.699 -7.111 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.803 -13.433 -7.120 1.00 0.00 H new ATOM 0 HG SER A 66 0.173 -12.626 -9.216 1.00 0.00 H new ATOM 973 N GLY A 67 -1.723 -14.823 -4.986 1.00 0.00 N ATOM 974 CA GLY A 67 -1.488 -16.011 -4.113 1.00 0.00 C ATOM 975 C GLY A 67 -2.813 -16.733 -3.860 1.00 0.00 C ATOM 976 O GLY A 67 -3.511 -17.109 -4.783 1.00 0.00 O ATOM 0 H GLY A 67 -2.684 -14.709 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.778 -16.689 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.047 -15.698 -3.167 1.00 0.00 H new ATOM 980 N ALA A 68 -3.159 -16.933 -2.613 1.00 0.00 N ATOM 981 CA ALA A 68 -4.435 -17.633 -2.286 1.00 0.00 C ATOM 982 C ALA A 68 -5.580 -16.619 -2.234 1.00 0.00 C ATOM 983 O ALA A 68 -6.419 -16.572 -3.115 1.00 0.00 O ATOM 984 CB ALA A 68 -4.303 -18.322 -0.927 1.00 0.00 C ATOM 0 H ALA A 68 -2.609 -16.640 -1.805 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.646 -18.377 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.235 -18.834 -0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.490 -19.047 -0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.090 -17.577 -0.160 1.00 0.00 H new ATOM 990 N ASP A 69 -5.619 -15.808 -1.207 1.00 0.00 N ATOM 991 CA ASP A 69 -6.708 -14.792 -1.086 1.00 0.00 C ATOM 992 C ASP A 69 -6.211 -13.446 -1.628 1.00 0.00 C ATOM 993 O ASP A 69 -6.239 -12.437 -0.945 1.00 0.00 O ATOM 994 CB ASP A 69 -7.119 -14.646 0.385 1.00 0.00 C ATOM 995 CG ASP A 69 -5.879 -14.417 1.254 1.00 0.00 C ATOM 996 OD1 ASP A 69 -5.009 -13.675 0.828 1.00 0.00 O ATOM 997 OD2 ASP A 69 -5.820 -14.989 2.331 1.00 0.00 O ATOM 0 H ASP A 69 -4.941 -15.806 -0.445 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.574 -15.115 -1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.811 -13.811 0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.644 -15.542 0.715 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.757 -13.430 -2.853 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.250 -12.161 -3.459 1.00 0.00 C ATOM 1004 C GLU A 70 -6.384 -11.135 -3.554 1.00 0.00 C ATOM 1005 O GLU A 70 -6.152 -9.941 -3.527 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.699 -12.451 -4.862 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.792 -13.085 -5.732 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.247 -13.327 -7.141 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.069 -13.622 -7.259 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -6.019 -13.216 -8.080 1.00 0.00 O ATOM 0 H GLU A 70 -5.715 -14.245 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.457 -11.756 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.346 -11.528 -5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.842 -13.121 -4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.122 -14.026 -5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.663 -12.431 -5.775 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.606 -11.591 -3.674 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.757 -10.644 -3.780 1.00 0.00 C ATOM 1019 C ASN A 71 -9.054 -10.028 -2.411 1.00 0.00 C ATOM 1020 O ASN A 71 -9.277 -8.837 -2.292 1.00 0.00 O ATOM 1021 CB ASN A 71 -9.993 -11.401 -4.273 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.954 -11.505 -5.799 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -8.903 -11.678 -6.381 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -11.065 -11.406 -6.475 1.00 0.00 N ATOM 0 H ASN A 71 -7.856 -12.580 -3.703 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.504 -9.851 -4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.023 -12.397 -3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.899 -10.884 -3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.051 -11.474 -7.493 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.948 -11.261 -5.986 1.00 0.00 H new ATOM 1031 N ASP A 72 -9.064 -10.832 -1.379 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.355 -10.306 -0.012 1.00 0.00 C ATOM 1033 C ASP A 72 -8.168 -9.487 0.511 1.00 0.00 C ATOM 1034 O ASP A 72 -8.305 -8.724 1.451 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.620 -11.477 0.935 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.823 -12.277 0.434 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -10.824 -12.641 -0.730 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -11.725 -12.510 1.222 1.00 0.00 O ATOM 0 H ASP A 72 -8.882 -11.835 -1.425 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.233 -9.661 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.741 -12.119 0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.810 -11.108 1.943 1.00 0.00 H new ATOM 1043 N ALA A 73 -7.004 -9.637 -0.073 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.821 -8.866 0.409 1.00 0.00 C ATOM 1045 C ALA A 73 -5.833 -7.448 -0.170 1.00 0.00 C ATOM 1046 O ALA A 73 -5.599 -6.488 0.539 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.537 -9.574 -0.019 1.00 0.00 C ATOM 0 H ALA A 73 -6.824 -10.259 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.865 -8.806 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.675 -9.009 0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.514 -10.576 0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.505 -9.643 -1.106 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.076 -7.307 -1.451 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.070 -5.944 -2.068 1.00 0.00 C ATOM 1055 C LEU A 74 -7.192 -5.080 -1.482 1.00 0.00 C ATOM 1056 O LEU A 74 -6.991 -3.915 -1.193 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.218 -6.056 -3.596 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.588 -6.627 -3.979 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -8.608 -5.486 -4.115 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.466 -7.368 -5.315 1.00 0.00 C ATOM 0 H LEU A 74 -6.277 -8.073 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.118 -5.464 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.091 -5.073 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.430 -6.695 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.925 -7.316 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.580 -5.897 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.691 -4.957 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.278 -4.793 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.437 -7.777 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.129 -6.675 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.745 -8.180 -5.216 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.369 -5.632 -1.304 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.490 -4.824 -0.739 1.00 0.00 C ATOM 1074 C ASN A 75 -9.282 -4.650 0.769 1.00 0.00 C ATOM 1075 O ASN A 75 -9.794 -3.723 1.365 1.00 0.00 O ATOM 1076 CB ASN A 75 -10.835 -5.510 -1.016 1.00 0.00 C ATOM 1077 CG ASN A 75 -10.863 -6.907 -0.393 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -9.861 -7.394 0.082 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -11.982 -7.578 -0.378 1.00 0.00 N ATOM 0 H ASN A 75 -8.598 -6.601 -1.525 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.502 -3.844 -1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.647 -4.908 -0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.999 -5.582 -2.091 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.012 -8.511 0.033 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.827 -7.170 -0.778 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.522 -5.525 1.389 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.270 -5.392 2.851 1.00 0.00 C ATOM 1088 C ALA A 76 -7.441 -4.130 3.093 1.00 0.00 C ATOM 1089 O ALA A 76 -7.858 -3.231 3.799 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.500 -6.615 3.353 1.00 0.00 C ATOM 0 H ALA A 76 -8.069 -6.322 0.942 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.217 -5.323 3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.317 -6.516 4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.086 -7.515 3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.548 -6.687 2.827 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.270 -4.054 2.505 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.411 -2.849 2.691 1.00 0.00 C ATOM 1098 C LEU A 77 -6.129 -1.611 2.151 1.00 0.00 C ATOM 1099 O LEU A 77 -5.899 -0.510 2.607 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.094 -3.034 1.934 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.436 -4.361 2.347 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.233 -5.240 1.112 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.078 -4.085 3.000 1.00 0.00 C ATOM 0 H LEU A 77 -5.875 -4.777 1.904 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.209 -2.718 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.278 -3.028 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.422 -2.203 2.147 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.083 -4.874 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.767 -6.180 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.198 -5.444 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.590 -4.724 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.616 -5.028 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.432 -3.568 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.219 -3.462 3.884 1.00 0.00 H new ATOM 1115 N GLU A 78 -6.987 -1.782 1.174 1.00 0.00 N ATOM 1116 CA GLU A 78 -7.715 -0.610 0.598 1.00 0.00 C ATOM 1117 C GLU A 78 -8.569 0.062 1.682 1.00 0.00 C ATOM 1118 O GLU A 78 -8.440 1.245 1.934 1.00 0.00 O ATOM 1119 CB GLU A 78 -8.614 -1.090 -0.547 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.317 0.109 -1.199 1.00 0.00 C ATOM 1121 CD GLU A 78 -9.340 -0.072 -2.718 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -9.891 -1.062 -3.170 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -8.805 0.786 -3.404 1.00 0.00 O ATOM 0 H GLU A 78 -7.214 -2.682 0.752 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.994 0.115 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.019 -1.621 -1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.354 -1.795 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.334 0.198 -0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.798 1.032 -0.941 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.446 -0.678 2.313 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.317 -0.082 3.372 1.00 0.00 C ATOM 1132 C GLU A 79 -9.456 0.472 4.510 1.00 0.00 C ATOM 1133 O GLU A 79 -9.822 1.433 5.158 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.264 -1.154 3.914 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.457 -2.362 4.396 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.364 -3.296 5.197 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -12.304 -3.815 4.620 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -11.103 -3.477 6.375 1.00 0.00 O ATOM 0 H GLU A 79 -9.597 -1.672 2.140 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.898 0.733 2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.855 -0.749 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.965 -1.460 3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.033 -2.893 3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.622 -2.032 5.013 1.00 0.00 H new ATOM 1145 N THR A 80 -8.315 -0.122 4.756 1.00 0.00 N ATOM 1146 CA THR A 80 -7.430 0.377 5.850 1.00 0.00 C ATOM 1147 C THR A 80 -6.871 1.745 5.451 1.00 0.00 C ATOM 1148 O THR A 80 -6.644 2.602 6.284 1.00 0.00 O ATOM 1149 CB THR A 80 -6.277 -0.612 6.067 1.00 0.00 C ATOM 1150 OG1 THR A 80 -6.806 -1.897 6.362 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.404 -0.142 7.234 1.00 0.00 C ATOM 0 H THR A 80 -7.959 -0.931 4.246 1.00 0.00 H new ATOM 0 HA THR A 80 -7.999 0.469 6.775 1.00 0.00 H new ATOM 0 HB THR A 80 -5.672 -0.663 5.162 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.125 -2.317 5.536 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.587 -0.847 7.384 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.996 0.843 7.009 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.007 -0.087 8.140 1.00 0.00 H new ATOM 1159 N MET A 81 -6.656 1.951 4.177 1.00 0.00 N ATOM 1160 CA MET A 81 -6.122 3.256 3.698 1.00 0.00 C ATOM 1161 C MET A 81 -7.213 4.320 3.825 1.00 0.00 C ATOM 1162 O MET A 81 -6.947 5.465 4.134 1.00 0.00 O ATOM 1163 CB MET A 81 -5.703 3.120 2.232 1.00 0.00 C ATOM 1164 CG MET A 81 -4.393 2.332 2.145 1.00 0.00 C ATOM 1165 SD MET A 81 -3.036 3.342 2.787 1.00 0.00 S ATOM 1166 CE MET A 81 -2.342 3.834 1.190 1.00 0.00 C ATOM 0 H MET A 81 -6.830 1.263 3.444 1.00 0.00 H new ATOM 0 HA MET A 81 -5.259 3.547 4.296 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.483 2.612 1.666 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.576 4.107 1.786 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.474 1.407 2.717 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.193 2.051 1.111 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.476 4.476 1.352 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.037 2.946 0.636 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.094 4.377 0.618 1.00 0.00 H new ATOM 1176 N LYS A 82 -8.441 3.940 3.585 1.00 0.00 N ATOM 1177 CA LYS A 82 -9.570 4.911 3.683 1.00 0.00 C ATOM 1178 C LYS A 82 -9.906 5.179 5.155 1.00 0.00 C ATOM 1179 O LYS A 82 -10.482 6.198 5.487 1.00 0.00 O ATOM 1180 CB LYS A 82 -10.796 4.325 2.979 1.00 0.00 C ATOM 1181 CG LYS A 82 -10.596 4.399 1.462 1.00 0.00 C ATOM 1182 CD LYS A 82 -10.729 5.854 0.992 1.00 0.00 C ATOM 1183 CE LYS A 82 -12.108 6.070 0.363 1.00 0.00 C ATOM 1184 NZ LYS A 82 -12.055 5.715 -1.084 1.00 0.00 N ATOM 0 H LYS A 82 -8.711 2.992 3.324 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.282 5.849 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.946 3.290 3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.692 4.876 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.613 4.009 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.334 3.775 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.593 6.532 1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.948 6.085 0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.852 5.457 0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.415 7.109 0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.018 5.714 -1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.475 6.413 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.635 4.770 -1.194 1.00 0.00 H new ATOM 1198 N SER A 83 -9.554 4.275 6.037 1.00 0.00 N ATOM 1199 CA SER A 83 -9.858 4.476 7.486 1.00 0.00 C ATOM 1200 C SER A 83 -9.055 5.664 8.021 1.00 0.00 C ATOM 1201 O SER A 83 -9.596 6.550 8.656 1.00 0.00 O ATOM 1202 CB SER A 83 -9.480 3.215 8.264 1.00 0.00 C ATOM 1203 OG SER A 83 -8.065 3.097 8.309 1.00 0.00 O ATOM 0 H SER A 83 -9.069 3.406 5.814 1.00 0.00 H new ATOM 0 HA SER A 83 -10.923 4.676 7.608 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.885 3.263 9.275 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.915 2.336 7.788 1.00 0.00 H new ATOM 0 HG SER A 83 -7.712 3.046 7.396 1.00 0.00 H new ATOM 1209 N GLU A 84 -7.769 5.685 7.773 1.00 0.00 N ATOM 1210 CA GLU A 84 -6.925 6.812 8.270 1.00 0.00 C ATOM 1211 C GLU A 84 -6.706 7.853 7.160 1.00 0.00 C ATOM 1212 O GLU A 84 -5.901 8.753 7.307 1.00 0.00 O ATOM 1213 CB GLU A 84 -5.570 6.266 8.723 1.00 0.00 C ATOM 1214 CG GLU A 84 -5.728 5.568 10.076 1.00 0.00 C ATOM 1215 CD GLU A 84 -5.448 6.564 11.201 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -4.574 7.397 11.024 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -6.111 6.477 12.222 1.00 0.00 O ATOM 0 H GLU A 84 -7.268 4.969 7.247 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.435 7.291 9.106 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.182 5.565 7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.847 7.078 8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.737 5.167 10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.041 4.724 10.144 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.411 7.745 6.056 1.00 0.00 N ATOM 1225 CA GLY A 85 -7.236 8.734 4.949 1.00 0.00 C ATOM 1226 C GLY A 85 -5.784 8.719 4.461 1.00 0.00 C ATOM 1227 O GLY A 85 -4.949 9.456 4.953 1.00 0.00 O ATOM 0 H GLY A 85 -8.099 7.014 5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.908 8.494 4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.502 9.732 5.296 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.482 7.886 3.498 1.00 0.00 N ATOM 1232 CA LEU A 86 -4.089 7.816 2.971 1.00 0.00 C ATOM 1233 C LEU A 86 -4.122 7.848 1.441 1.00 0.00 C ATOM 1234 O LEU A 86 -3.576 8.741 0.820 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.433 6.515 3.436 1.00 0.00 C ATOM 1236 CG LEU A 86 -2.974 6.664 4.887 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.474 5.314 5.401 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -1.841 7.690 4.960 1.00 0.00 C ATOM 0 H LEU A 86 -6.144 7.250 3.054 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.517 8.666 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.139 5.689 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.583 6.276 2.797 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.809 7.001 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.146 5.417 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.281 4.583 5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.638 4.978 4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.513 7.797 5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.005 7.353 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.197 8.652 4.591 1.00 0.00 H new ATOM 1250 N GLY A 87 -4.759 6.879 0.835 1.00 0.00 N ATOM 1251 CA GLY A 87 -4.835 6.843 -0.655 1.00 0.00 C ATOM 1252 C GLY A 87 -6.216 6.342 -1.085 1.00 0.00 C ATOM 1253 O GLY A 87 -6.849 5.571 -0.389 1.00 0.00 O ATOM 0 H GLY A 87 -5.231 6.109 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.654 7.838 -1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.059 6.189 -1.053 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.684 6.777 -2.227 1.00 0.00 N ATOM 1258 CA GLU A 88 -8.024 6.331 -2.712 1.00 0.00 C ATOM 1259 C GLU A 88 -7.932 5.956 -4.192 1.00 0.00 C ATOM 1260 O GLU A 88 -7.104 6.532 -4.879 1.00 0.00 O ATOM 1261 CB GLU A 88 -9.033 7.467 -2.535 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.504 8.733 -3.213 1.00 0.00 C ATOM 1263 CD GLU A 88 -9.674 9.660 -3.545 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -10.314 10.129 -2.619 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -9.911 9.885 -4.721 1.00 0.00 O ATOM 1266 OXT GLU A 88 -8.690 5.099 -4.614 1.00 0.00 O ATOM 0 H GLU A 88 -6.194 7.423 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.349 5.463 -2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.993 7.185 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.203 7.654 -1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.798 9.242 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.963 8.472 -4.123 1.00 0.00 H new