USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 583 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD Set 1.1: A 8 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Set 1.2: A 76 MET CE :methyl -173:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.43 K(o=-0.43,f=-1.5) USER MOD Single : A 5 THR OG1 : rot -170:sc= 0.515 USER MOD Single : A 10 SER OG : rot -158:sc= -0.589 USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0436 (180deg=-0.425) USER MOD Single : A 17 SER OG : rot 73:sc= 1.23 USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= -2.29! (180deg=-3.81!) USER MOD Single : A 26 CYS SG : rot 180:sc= -1.18! USER MOD Single : A 28 THR OG1 : rot 180:sc= -2 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0555 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 71:sc= 0.399 USER MOD Single : A 36 MET CE :methyl -173:sc= 0 (180deg=-0.0172) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.2) USER MOD Single : A 42 ASN : amide:sc= -1.71 K(o=-1.7,f=-7.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.45) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -3.06! X(o=-3.1!,f=-2.8) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.0053) USER MOD Single : A 72 MET CE :methyl 156:sc= -0.0393 (180deg=-0.506) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -23:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.744 -7.505 -15.054 1.00 0.00 N ATOM 2 CA ALA A 1 -15.780 -6.629 -15.774 1.00 0.00 C ATOM 3 C ALA A 1 -15.551 -5.361 -14.961 1.00 0.00 C ATOM 4 O ALA A 1 -16.471 -4.567 -14.766 1.00 0.00 O ATOM 5 CB ALA A 1 -16.347 -6.266 -17.148 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.904 -8.372 -15.605 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.357 -7.754 -14.121 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.646 -7.002 -14.932 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.833 -7.153 -15.904 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.641 -5.624 -17.675 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.512 -7.176 -17.726 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.293 -5.739 -17.024 1.00 0.00 H new ATOM 13 N ASP A 2 -14.323 -5.185 -14.482 1.00 0.00 N ATOM 14 CA ASP A 2 -13.978 -4.015 -13.680 1.00 0.00 C ATOM 15 C ASP A 2 -14.655 -4.083 -12.309 1.00 0.00 C ATOM 16 O ASP A 2 -14.165 -3.504 -11.341 1.00 0.00 O ATOM 17 CB ASP A 2 -14.401 -2.736 -14.417 1.00 0.00 C ATOM 18 CG ASP A 2 -14.176 -2.906 -15.917 1.00 0.00 C ATOM 19 OD1 ASP A 2 -13.134 -3.422 -16.285 1.00 0.00 O ATOM 20 OD2 ASP A 2 -15.050 -2.516 -16.672 1.00 0.00 O ATOM 0 H ASP A 2 -13.552 -5.835 -14.634 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.899 -4.000 -13.529 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.451 -2.522 -14.219 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.827 -1.886 -14.048 1.00 0.00 H new ATOM 25 N GLN A 3 -15.785 -4.790 -12.235 1.00 0.00 N ATOM 26 CA GLN A 3 -16.520 -4.921 -10.981 1.00 0.00 C ATOM 27 C GLN A 3 -15.623 -5.509 -9.892 1.00 0.00 C ATOM 28 O GLN A 3 -14.890 -6.468 -10.131 1.00 0.00 O ATOM 29 CB GLN A 3 -17.730 -5.836 -11.191 1.00 0.00 C ATOM 30 CG GLN A 3 -18.719 -5.182 -12.160 1.00 0.00 C ATOM 31 CD GLN A 3 -19.434 -4.019 -11.480 1.00 0.00 C ATOM 32 OE1 GLN A 3 -18.869 -2.934 -11.343 1.00 0.00 O ATOM 33 NE2 GLN A 3 -20.653 -4.182 -11.043 1.00 0.00 N ATOM 0 H GLN A 3 -16.207 -5.277 -13.026 1.00 0.00 H new ATOM 0 HA GLN A 3 -16.853 -3.932 -10.666 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -17.404 -6.799 -11.585 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -18.219 -6.031 -10.236 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -18.191 -4.826 -13.045 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -19.448 -5.918 -12.499 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -21.120 -5.082 -11.157 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -21.139 -3.410 -10.587 1.00 0.00 H new ATOM 42 N LEU A 4 -15.688 -4.925 -8.694 1.00 0.00 N ATOM 43 CA LEU A 4 -14.881 -5.384 -7.559 1.00 0.00 C ATOM 44 C LEU A 4 -15.773 -6.024 -6.498 1.00 0.00 C ATOM 45 O LEU A 4 -16.981 -5.790 -6.465 1.00 0.00 O ATOM 46 CB LEU A 4 -14.125 -4.192 -6.960 1.00 0.00 C ATOM 47 CG LEU A 4 -13.137 -3.628 -7.997 1.00 0.00 C ATOM 48 CD1 LEU A 4 -12.623 -2.267 -7.517 1.00 0.00 C ATOM 49 CD2 LEU A 4 -11.944 -4.586 -8.184 1.00 0.00 C ATOM 0 H LEU A 4 -16.293 -4.131 -8.483 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.167 -6.131 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -14.830 -3.418 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.588 -4.503 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.652 -3.518 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.923 -1.864 -8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.462 -1.581 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.118 -2.386 -6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.256 -4.171 -8.921 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.426 -4.711 -7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.306 -5.554 -8.530 1.00 0.00 H new ATOM 61 N THR A 5 -15.170 -6.845 -5.631 1.00 0.00 N ATOM 62 CA THR A 5 -15.914 -7.533 -4.569 1.00 0.00 C ATOM 63 C THR A 5 -15.666 -6.885 -3.212 1.00 0.00 C ATOM 64 O THR A 5 -14.837 -5.987 -3.076 1.00 0.00 O ATOM 65 CB THR A 5 -15.485 -9.001 -4.489 1.00 0.00 C ATOM 66 OG1 THR A 5 -14.261 -9.098 -3.775 1.00 0.00 O ATOM 67 CG2 THR A 5 -15.303 -9.568 -5.897 1.00 0.00 C ATOM 0 H THR A 5 -14.171 -7.049 -5.643 1.00 0.00 H new ATOM 0 HA THR A 5 -16.974 -7.461 -4.814 1.00 0.00 H new ATOM 0 HB THR A 5 -16.256 -9.572 -3.971 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.905 -10.007 -3.858 1.00 0.00 H new ATOM 0 HG21 THR A 5 -14.998 -10.612 -5.832 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.244 -9.498 -6.442 1.00 0.00 H new ATOM 0 HG23 THR A 5 -14.537 -8.998 -6.422 1.00 0.00 H new ATOM 75 N ASP A 6 -16.377 -7.379 -2.205 1.00 0.00 N ATOM 76 CA ASP A 6 -16.218 -6.879 -0.847 1.00 0.00 C ATOM 77 C ASP A 6 -14.951 -7.466 -0.237 1.00 0.00 C ATOM 78 O ASP A 6 -14.316 -6.857 0.623 1.00 0.00 O ATOM 79 CB ASP A 6 -17.418 -7.291 0.006 1.00 0.00 C ATOM 80 CG ASP A 6 -18.670 -6.553 -0.455 1.00 0.00 C ATOM 81 OD1 ASP A 6 -18.530 -5.592 -1.192 1.00 0.00 O ATOM 82 OD2 ASP A 6 -19.752 -6.960 -0.063 1.00 0.00 O ATOM 0 H ASP A 6 -17.067 -8.123 -2.304 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.150 -5.791 -0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.574 -8.367 -0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.221 -7.069 1.055 1.00 0.00 H new ATOM 87 N GLU A 7 -14.608 -8.664 -0.694 1.00 0.00 N ATOM 88 CA GLU A 7 -13.429 -9.362 -0.198 1.00 0.00 C ATOM 89 C GLU A 7 -12.151 -8.658 -0.629 1.00 0.00 C ATOM 90 O GLU A 7 -11.234 -8.479 0.167 1.00 0.00 O ATOM 91 CB GLU A 7 -13.415 -10.793 -0.733 1.00 0.00 C ATOM 92 CG GLU A 7 -14.585 -11.577 -0.137 1.00 0.00 C ATOM 93 CD GLU A 7 -15.896 -11.108 -0.758 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.840 -10.452 -1.787 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.936 -11.412 -0.198 1.00 0.00 O ATOM 0 H GLU A 7 -15.130 -9.172 -1.408 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.474 -9.368 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.486 -10.786 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.472 -11.278 -0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.449 -12.643 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.614 -11.437 0.944 1.00 0.00 H new ATOM 102 N GLN A 8 -12.099 -8.253 -1.891 1.00 0.00 N ATOM 103 CA GLN A 8 -10.923 -7.564 -2.404 1.00 0.00 C ATOM 104 C GLN A 8 -10.764 -6.213 -1.718 1.00 0.00 C ATOM 105 O GLN A 8 -9.650 -5.728 -1.510 1.00 0.00 O ATOM 106 CB GLN A 8 -11.053 -7.372 -3.923 1.00 0.00 C ATOM 107 CG GLN A 8 -10.936 -8.730 -4.630 1.00 0.00 C ATOM 108 CD GLN A 8 -11.152 -8.567 -6.135 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.068 -7.863 -6.560 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.356 -9.180 -6.972 1.00 0.00 N ATOM 0 H GLN A 8 -12.847 -8.387 -2.571 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.040 -8.168 -2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.011 -6.910 -4.160 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.276 -6.697 -4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.953 -9.162 -4.442 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.672 -9.424 -4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.597 -9.763 -6.620 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.494 -9.075 -7.977 1.00 0.00 H new ATOM 119 N ILE A 9 -11.888 -5.637 -1.320 1.00 0.00 N ATOM 120 CA ILE A 9 -11.867 -4.362 -0.620 1.00 0.00 C ATOM 121 C ILE A 9 -11.461 -4.569 0.833 1.00 0.00 C ATOM 122 O ILE A 9 -10.544 -3.915 1.334 1.00 0.00 O ATOM 123 CB ILE A 9 -13.237 -3.699 -0.705 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.527 -3.363 -2.170 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.235 -2.411 0.123 1.00 0.00 C ATOM 126 CD1 ILE A 9 -14.996 -2.973 -2.328 1.00 0.00 C ATOM 0 H ILE A 9 -12.818 -6.028 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.134 -3.708 -1.093 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.001 -4.372 -0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.886 -2.545 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.299 -4.221 -2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.215 -1.938 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.011 -2.647 1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.478 -1.730 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.199 -2.734 -3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.629 -3.804 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.210 -2.102 -1.709 1.00 0.00 H new ATOM 138 N SER A 10 -12.159 -5.466 1.518 1.00 0.00 N ATOM 139 CA SER A 10 -11.852 -5.723 2.914 1.00 0.00 C ATOM 140 C SER A 10 -10.403 -6.167 3.051 1.00 0.00 C ATOM 141 O SER A 10 -9.678 -5.661 3.902 1.00 0.00 O ATOM 142 CB SER A 10 -12.776 -6.812 3.468 1.00 0.00 C ATOM 143 OG SER A 10 -12.253 -7.281 4.704 1.00 0.00 O ATOM 0 H SER A 10 -12.927 -6.017 1.136 1.00 0.00 H new ATOM 0 HA SER A 10 -12.005 -4.805 3.481 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.781 -6.415 3.611 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.856 -7.635 2.757 1.00 0.00 H new ATOM 0 HG SER A 10 -12.607 -8.175 4.891 1.00 0.00 H new ATOM 149 N GLU A 11 -9.968 -7.097 2.202 1.00 0.00 N ATOM 150 CA GLU A 11 -8.592 -7.562 2.273 1.00 0.00 C ATOM 151 C GLU A 11 -7.646 -6.373 2.182 1.00 0.00 C ATOM 152 O GLU A 11 -6.679 -6.279 2.939 1.00 0.00 O ATOM 153 CB GLU A 11 -8.311 -8.543 1.120 1.00 0.00 C ATOM 154 CG GLU A 11 -7.098 -9.420 1.452 1.00 0.00 C ATOM 155 CD GLU A 11 -5.841 -8.568 1.566 1.00 0.00 C ATOM 156 OE1 GLU A 11 -5.698 -7.646 0.785 1.00 0.00 O ATOM 157 OE2 GLU A 11 -5.036 -8.855 2.437 1.00 0.00 O ATOM 0 H GLU A 11 -10.536 -7.532 1.475 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.435 -8.075 3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.185 -9.170 0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.127 -7.990 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.271 -9.951 2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.964 -10.175 0.677 1.00 0.00 H new ATOM 164 N PHE A 12 -7.946 -5.451 1.276 1.00 0.00 N ATOM 165 CA PHE A 12 -7.129 -4.255 1.122 1.00 0.00 C ATOM 166 C PHE A 12 -7.206 -3.400 2.381 1.00 0.00 C ATOM 167 O PHE A 12 -6.189 -2.931 2.897 1.00 0.00 O ATOM 168 CB PHE A 12 -7.662 -3.483 -0.098 1.00 0.00 C ATOM 169 CG PHE A 12 -7.519 -4.292 -1.386 1.00 0.00 C ATOM 170 CD1 PHE A 12 -6.777 -5.489 -1.443 1.00 0.00 C ATOM 171 CD2 PHE A 12 -8.136 -3.817 -2.551 1.00 0.00 C ATOM 172 CE1 PHE A 12 -6.656 -6.187 -2.639 1.00 0.00 C ATOM 173 CE2 PHE A 12 -8.015 -4.528 -3.750 1.00 0.00 C ATOM 174 CZ PHE A 12 -7.275 -5.711 -3.797 1.00 0.00 C ATOM 0 H PHE A 12 -8.743 -5.507 0.641 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.082 -4.519 0.970 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.711 -3.233 0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.121 -2.542 -0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.299 -5.867 -0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.706 -2.900 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.081 -7.101 -2.673 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.497 -4.160 -4.644 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.182 -6.256 -4.725 1.00 0.00 H new ATOM 184 N LYS A 13 -8.418 -3.205 2.859 1.00 0.00 N ATOM 185 CA LYS A 13 -8.655 -2.413 4.051 1.00 0.00 C ATOM 186 C LYS A 13 -8.062 -3.073 5.297 1.00 0.00 C ATOM 187 O LYS A 13 -7.442 -2.404 6.123 1.00 0.00 O ATOM 188 CB LYS A 13 -10.156 -2.244 4.211 1.00 0.00 C ATOM 189 CG LYS A 13 -10.461 -1.239 5.313 1.00 0.00 C ATOM 190 CD LYS A 13 -11.970 -1.011 5.343 1.00 0.00 C ATOM 191 CE LYS A 13 -12.310 0.088 6.347 1.00 0.00 C ATOM 192 NZ LYS A 13 -11.848 -0.306 7.704 1.00 0.00 N ATOM 0 H LYS A 13 -9.263 -3.588 2.436 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.166 -1.445 3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.593 -1.907 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.613 -3.204 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.113 -1.613 6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.938 -0.301 5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.324 -0.731 4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.481 -1.935 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.836 1.024 6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.386 0.264 6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.308 0.296 8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.096 -1.301 7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.816 -0.190 7.767 1.00 0.00 H new ATOM 206 N GLU A 14 -8.238 -4.391 5.427 1.00 0.00 N ATOM 207 CA GLU A 14 -7.696 -5.108 6.580 1.00 0.00 C ATOM 208 C GLU A 14 -6.175 -5.102 6.531 1.00 0.00 C ATOM 209 O GLU A 14 -5.504 -4.847 7.534 1.00 0.00 O ATOM 210 CB GLU A 14 -8.194 -6.558 6.583 1.00 0.00 C ATOM 211 CG GLU A 14 -9.700 -6.598 6.854 1.00 0.00 C ATOM 212 CD GLU A 14 -10.205 -8.031 6.735 1.00 0.00 C ATOM 213 OE1 GLU A 14 -9.400 -8.900 6.442 1.00 0.00 O ATOM 214 OE2 GLU A 14 -11.391 -8.241 6.939 1.00 0.00 O ATOM 0 H GLU A 14 -8.743 -4.974 4.759 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.033 -4.608 7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.977 -7.027 5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.665 -7.131 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.910 -6.210 7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.224 -5.957 6.145 1.00 0.00 H new ATOM 221 N ALA A 15 -5.641 -5.383 5.348 1.00 0.00 N ATOM 222 CA ALA A 15 -4.203 -5.412 5.151 1.00 0.00 C ATOM 223 C ALA A 15 -3.601 -4.037 5.407 1.00 0.00 C ATOM 224 O ALA A 15 -2.569 -3.905 6.050 1.00 0.00 O ATOM 225 CB ALA A 15 -3.890 -5.826 3.712 1.00 0.00 C ATOM 0 H ALA A 15 -6.186 -5.594 4.512 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.774 -6.129 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.810 -5.847 3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.301 -6.817 3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.335 -5.109 3.022 1.00 0.00 H new ATOM 231 N PHE A 16 -4.240 -3.016 4.876 1.00 0.00 N ATOM 232 CA PHE A 16 -3.760 -1.654 5.026 1.00 0.00 C ATOM 233 C PHE A 16 -3.824 -1.139 6.471 1.00 0.00 C ATOM 234 O PHE A 16 -2.868 -0.530 6.950 1.00 0.00 O ATOM 235 CB PHE A 16 -4.573 -0.762 4.103 1.00 0.00 C ATOM 236 CG PHE A 16 -4.199 0.681 4.314 1.00 0.00 C ATOM 237 CD1 PHE A 16 -4.865 1.438 5.278 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.186 1.257 3.544 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.518 2.779 5.474 1.00 0.00 C ATOM 240 CE2 PHE A 16 -2.837 2.595 3.737 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.505 3.356 4.701 1.00 0.00 C ATOM 0 H PHE A 16 -5.099 -3.102 4.333 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.704 -1.636 4.758 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.396 -1.043 3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.637 -0.901 4.294 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.647 0.989 5.872 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.673 0.667 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.031 3.367 6.220 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.053 3.041 3.143 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.238 4.392 4.849 1.00 0.00 H new ATOM 251 N SER A 17 -4.927 -1.393 7.171 1.00 0.00 N ATOM 252 CA SER A 17 -5.030 -0.944 8.561 1.00 0.00 C ATOM 253 C SER A 17 -3.966 -1.651 9.378 1.00 0.00 C ATOM 254 O SER A 17 -3.361 -1.075 10.284 1.00 0.00 O ATOM 255 CB SER A 17 -6.411 -1.243 9.145 1.00 0.00 C ATOM 256 OG SER A 17 -7.413 -0.730 8.278 1.00 0.00 O ATOM 0 H SER A 17 -5.742 -1.892 6.814 1.00 0.00 H new ATOM 0 HA SER A 17 -4.884 0.136 8.593 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.539 -2.318 9.271 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.505 -0.793 10.133 1.00 0.00 H new ATOM 0 HG SER A 17 -7.472 -1.292 7.477 1.00 0.00 H new ATOM 262 N LEU A 18 -3.743 -2.905 9.018 1.00 0.00 N ATOM 263 CA LEU A 18 -2.747 -3.743 9.660 1.00 0.00 C ATOM 264 C LEU A 18 -1.354 -3.153 9.423 1.00 0.00 C ATOM 265 O LEU A 18 -0.507 -3.148 10.314 1.00 0.00 O ATOM 266 CB LEU A 18 -2.877 -5.142 9.037 1.00 0.00 C ATOM 267 CG LEU A 18 -1.834 -6.129 9.570 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.152 -6.512 11.020 1.00 0.00 C ATOM 269 CD2 LEU A 18 -1.870 -7.378 8.686 1.00 0.00 C ATOM 0 H LEU A 18 -4.252 -3.371 8.267 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.896 -3.799 10.738 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.875 -5.532 9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.776 -5.063 7.955 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.845 -5.672 9.548 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.402 -7.214 11.384 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.144 -5.617 11.643 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.137 -6.977 11.066 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.135 -8.099 9.044 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.864 -7.823 8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.636 -7.103 7.658 1.00 0.00 H new ATOM 281 N PHE A 19 -1.134 -2.664 8.204 1.00 0.00 N ATOM 282 CA PHE A 19 0.156 -2.086 7.826 1.00 0.00 C ATOM 283 C PHE A 19 0.452 -0.849 8.664 1.00 0.00 C ATOM 284 O PHE A 19 1.597 -0.402 8.738 1.00 0.00 O ATOM 285 CB PHE A 19 0.146 -1.706 6.333 1.00 0.00 C ATOM 286 CG PHE A 19 0.350 -2.926 5.443 1.00 0.00 C ATOM 287 CD1 PHE A 19 0.001 -4.218 5.883 1.00 0.00 C ATOM 288 CD2 PHE A 19 0.888 -2.759 4.159 1.00 0.00 C ATOM 289 CE1 PHE A 19 0.189 -5.321 5.048 1.00 0.00 C ATOM 290 CE2 PHE A 19 1.075 -3.868 3.325 1.00 0.00 C ATOM 291 CZ PHE A 19 0.725 -5.147 3.768 1.00 0.00 C ATOM 0 H PHE A 19 -1.832 -2.656 7.460 1.00 0.00 H new ATOM 0 HA PHE A 19 0.933 -2.829 8.006 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.802 -1.228 6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.932 -0.976 6.137 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.414 -4.356 6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.159 -1.773 3.812 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.080 -6.309 5.391 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.491 -3.735 2.337 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.869 -6.000 3.122 1.00 0.00 H new ATOM 301 N ASP A 20 -0.582 -0.289 9.285 1.00 0.00 N ATOM 302 CA ASP A 20 -0.415 0.913 10.112 1.00 0.00 C ATOM 303 C ASP A 20 -0.308 0.545 11.597 1.00 0.00 C ATOM 304 O ASP A 20 -1.322 0.397 12.282 1.00 0.00 O ATOM 305 CB ASP A 20 -1.610 1.847 9.895 1.00 0.00 C ATOM 306 CG ASP A 20 -1.263 3.271 10.332 1.00 0.00 C ATOM 307 OD1 ASP A 20 -0.101 3.630 10.257 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.171 3.980 10.724 1.00 0.00 O ATOM 0 H ASP A 20 -1.538 -0.641 9.236 1.00 0.00 H new ATOM 0 HA ASP A 20 0.507 1.415 9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.896 1.843 8.843 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.469 1.486 10.461 1.00 0.00 H new ATOM 313 N LYS A 21 0.923 0.390 12.086 1.00 0.00 N ATOM 314 CA LYS A 21 1.136 0.028 13.486 1.00 0.00 C ATOM 315 C LYS A 21 0.673 1.133 14.430 1.00 0.00 C ATOM 316 O LYS A 21 0.449 0.891 15.615 1.00 0.00 O ATOM 317 CB LYS A 21 2.614 -0.270 13.749 1.00 0.00 C ATOM 318 CG LYS A 21 2.986 -1.609 13.126 1.00 0.00 C ATOM 319 CD LYS A 21 4.415 -1.962 13.518 1.00 0.00 C ATOM 320 CE LYS A 21 4.730 -3.386 13.056 1.00 0.00 C ATOM 321 NZ LYS A 21 5.027 -3.385 11.597 1.00 0.00 N ATOM 0 H LYS A 21 1.777 0.508 11.541 1.00 0.00 H new ATOM 0 HA LYS A 21 0.542 -0.866 13.678 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.235 0.522 13.330 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.805 -0.291 14.822 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.300 -2.385 13.466 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.896 -1.557 12.041 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.113 -1.258 13.065 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.538 -1.882 14.598 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.582 -3.778 13.610 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.885 -4.042 13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.600 -4.219 11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.136 -3.413 11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.552 -2.522 11.350 1.00 0.00 H new ATOM 335 N ASP A 22 0.547 2.351 13.905 1.00 0.00 N ATOM 336 CA ASP A 22 0.127 3.498 14.720 1.00 0.00 C ATOM 337 C ASP A 22 -1.281 3.966 14.347 1.00 0.00 C ATOM 338 O ASP A 22 -1.703 5.049 14.758 1.00 0.00 O ATOM 339 CB ASP A 22 1.115 4.648 14.526 1.00 0.00 C ATOM 340 CG ASP A 22 1.368 4.871 13.042 1.00 0.00 C ATOM 341 OD1 ASP A 22 0.435 4.712 12.273 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.491 5.197 12.697 1.00 0.00 O ATOM 0 H ASP A 22 0.728 2.572 12.926 1.00 0.00 H new ATOM 0 HA ASP A 22 0.113 3.185 15.764 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.720 5.558 14.977 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.053 4.422 15.033 1.00 0.00 H new ATOM 347 N GLY A 23 -2.004 3.149 13.582 1.00 0.00 N ATOM 348 CA GLY A 23 -3.368 3.494 13.171 1.00 0.00 C ATOM 349 C GLY A 23 -3.514 4.995 12.927 1.00 0.00 C ATOM 350 O GLY A 23 -4.572 5.575 13.167 1.00 0.00 O ATOM 0 H GLY A 23 -1.673 2.249 13.235 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.624 2.950 12.262 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.072 3.179 13.941 1.00 0.00 H new ATOM 354 N ASP A 24 -2.432 5.619 12.467 1.00 0.00 N ATOM 355 CA ASP A 24 -2.430 7.058 12.211 1.00 0.00 C ATOM 356 C ASP A 24 -3.302 7.395 11.008 1.00 0.00 C ATOM 357 O ASP A 24 -3.561 8.566 10.731 1.00 0.00 O ATOM 358 CB ASP A 24 -1.004 7.533 11.936 1.00 0.00 C ATOM 359 CG ASP A 24 -0.156 7.438 13.199 1.00 0.00 C ATOM 360 OD1 ASP A 24 -0.731 7.344 14.271 1.00 0.00 O ATOM 361 OD2 ASP A 24 1.057 7.459 13.071 1.00 0.00 O ATOM 0 H ASP A 24 -1.548 5.153 12.264 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.829 7.560 13.092 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.559 6.928 11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.020 8.563 11.578 1.00 0.00 H new ATOM 366 N GLY A 25 -3.752 6.365 10.296 1.00 0.00 N ATOM 367 CA GLY A 25 -4.597 6.564 9.121 1.00 0.00 C ATOM 368 C GLY A 25 -3.770 6.537 7.843 1.00 0.00 C ATOM 369 O GLY A 25 -4.319 6.542 6.742 1.00 0.00 O ATOM 0 H GLY A 25 -3.547 5.389 10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.360 5.786 9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.118 7.518 9.201 1.00 0.00 H new ATOM 373 N CYS A 26 -2.445 6.502 7.987 1.00 0.00 N ATOM 374 CA CYS A 26 -1.558 6.470 6.822 1.00 0.00 C ATOM 375 C CYS A 26 -0.339 5.596 7.085 1.00 0.00 C ATOM 376 O CYS A 26 0.134 5.499 8.219 1.00 0.00 O ATOM 377 CB CYS A 26 -1.097 7.886 6.464 1.00 0.00 C ATOM 378 SG CYS A 26 -2.469 9.045 6.676 1.00 0.00 S ATOM 0 H CYS A 26 -1.966 6.495 8.887 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.120 6.048 5.989 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.260 8.178 7.099 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.741 7.914 5.434 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.073 10.246 6.373 1.00 0.00 H new ATOM 384 N ILE A 27 0.182 4.985 6.024 1.00 0.00 N ATOM 385 CA ILE A 27 1.372 4.145 6.140 1.00 0.00 C ATOM 386 C ILE A 27 2.587 4.981 5.775 1.00 0.00 C ATOM 387 O ILE A 27 2.637 5.555 4.685 1.00 0.00 O ATOM 388 CB ILE A 27 1.300 2.959 5.167 1.00 0.00 C ATOM 389 CG1 ILE A 27 0.031 2.146 5.416 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.515 2.045 5.370 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.106 1.089 4.317 1.00 0.00 C ATOM 0 H ILE A 27 -0.198 5.055 5.080 1.00 0.00 H new ATOM 0 HA ILE A 27 1.438 3.767 7.160 1.00 0.00 H new ATOM 0 HB ILE A 27 1.291 3.349 4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.076 1.668 6.395 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.841 2.800 5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.459 1.205 4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.429 2.608 5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.522 1.671 6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.009 0.503 4.486 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.168 1.580 3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.762 0.430 4.335 1.00 0.00 H new ATOM 403 N THR A 28 3.570 5.042 6.664 1.00 0.00 N ATOM 404 CA THR A 28 4.779 5.805 6.378 1.00 0.00 C ATOM 405 C THR A 28 5.725 4.925 5.572 1.00 0.00 C ATOM 406 O THR A 28 5.289 3.955 4.956 1.00 0.00 O ATOM 407 CB THR A 28 5.437 6.284 7.675 1.00 0.00 C ATOM 408 OG1 THR A 28 5.696 5.177 8.521 1.00 0.00 O ATOM 409 CG2 THR A 28 4.499 7.267 8.380 1.00 0.00 C ATOM 0 H THR A 28 3.557 4.581 7.574 1.00 0.00 H new ATOM 0 HA THR A 28 4.529 6.694 5.799 1.00 0.00 H new ATOM 0 HB THR A 28 6.380 6.780 7.444 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.118 5.489 9.348 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.962 7.612 9.305 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.310 8.120 7.729 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.557 6.770 8.609 1.00 0.00 H new ATOM 417 N THR A 29 7.009 5.254 5.548 1.00 0.00 N ATOM 418 CA THR A 29 7.965 4.452 4.780 1.00 0.00 C ATOM 419 C THR A 29 8.464 3.253 5.587 1.00 0.00 C ATOM 420 O THR A 29 8.314 2.105 5.167 1.00 0.00 O ATOM 421 CB THR A 29 9.151 5.325 4.366 1.00 0.00 C ATOM 422 OG1 THR A 29 9.560 6.112 5.473 1.00 0.00 O ATOM 423 CG2 THR A 29 8.735 6.244 3.210 1.00 0.00 C ATOM 0 H THR A 29 7.412 6.052 6.039 1.00 0.00 H new ATOM 0 HA THR A 29 7.456 4.073 3.894 1.00 0.00 H new ATOM 0 HB THR A 29 9.976 4.690 4.042 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.321 6.672 5.213 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.581 6.865 2.916 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.417 5.639 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.911 6.881 3.530 1.00 0.00 H new ATOM 431 N LYS A 30 9.057 3.528 6.744 1.00 0.00 N ATOM 432 CA LYS A 30 9.577 2.468 7.601 1.00 0.00 C ATOM 433 C LYS A 30 8.483 1.453 7.893 1.00 0.00 C ATOM 434 O LYS A 30 8.736 0.251 7.956 1.00 0.00 O ATOM 435 CB LYS A 30 10.093 3.061 8.912 1.00 0.00 C ATOM 436 CG LYS A 30 8.938 3.722 9.670 1.00 0.00 C ATOM 437 CD LYS A 30 9.483 4.424 10.916 1.00 0.00 C ATOM 438 CE LYS A 30 8.368 5.232 11.588 1.00 0.00 C ATOM 439 NZ LYS A 30 7.475 4.313 12.348 1.00 0.00 N ATOM 0 H LYS A 30 9.189 4.471 7.109 1.00 0.00 H new ATOM 0 HA LYS A 30 10.399 1.970 7.086 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.542 2.279 9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.874 3.794 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.431 4.441 9.027 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.200 2.973 9.955 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.882 3.688 11.614 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.307 5.083 10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.798 5.976 12.259 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.794 5.774 10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.719 4.862 12.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.055 3.620 11.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.027 3.815 13.075 1.00 0.00 H new ATOM 453 N GLU A 31 7.263 1.952 8.034 1.00 0.00 N ATOM 454 CA GLU A 31 6.122 1.091 8.284 1.00 0.00 C ATOM 455 C GLU A 31 5.946 0.157 7.103 1.00 0.00 C ATOM 456 O GLU A 31 5.875 -1.064 7.256 1.00 0.00 O ATOM 457 CB GLU A 31 4.866 1.946 8.460 1.00 0.00 C ATOM 458 CG GLU A 31 4.953 2.711 9.780 1.00 0.00 C ATOM 459 CD GLU A 31 3.800 3.702 9.877 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.987 3.725 8.968 1.00 0.00 O ATOM 461 OE2 GLU A 31 3.748 4.426 10.857 1.00 0.00 O ATOM 0 H GLU A 31 7.041 2.946 7.979 1.00 0.00 H new ATOM 0 HA GLU A 31 6.286 0.509 9.191 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.768 2.644 7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.978 1.314 8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.918 2.015 10.618 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.905 3.238 9.844 1.00 0.00 H new ATOM 468 N LEU A 32 5.921 0.743 5.919 1.00 0.00 N ATOM 469 CA LEU A 32 5.802 -0.039 4.715 1.00 0.00 C ATOM 470 C LEU A 32 7.037 -0.923 4.612 1.00 0.00 C ATOM 471 O LEU A 32 6.946 -2.103 4.286 1.00 0.00 O ATOM 472 CB LEU A 32 5.688 0.899 3.497 1.00 0.00 C ATOM 473 CG LEU A 32 5.284 0.116 2.219 1.00 0.00 C ATOM 474 CD1 LEU A 32 4.395 1.001 1.331 1.00 0.00 C ATOM 475 CD2 LEU A 32 6.534 -0.291 1.416 1.00 0.00 C ATOM 0 H LEU A 32 5.981 1.751 5.772 1.00 0.00 H new ATOM 0 HA LEU A 32 4.908 -0.661 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.949 1.674 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.641 1.402 3.332 1.00 0.00 H new ATOM 0 HG LEU A 32 4.742 -0.780 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.113 0.449 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.497 1.283 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.944 1.899 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.231 -0.839 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.085 0.603 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.172 -0.925 2.032 1.00 0.00 H new ATOM 487 N GLY A 33 8.196 -0.341 4.924 1.00 0.00 N ATOM 488 CA GLY A 33 9.446 -1.086 4.887 1.00 0.00 C ATOM 489 C GLY A 33 9.400 -2.236 5.876 1.00 0.00 C ATOM 490 O GLY A 33 9.871 -3.332 5.576 1.00 0.00 O ATOM 0 H GLY A 33 8.291 0.636 5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.620 -1.468 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.279 -0.425 5.125 1.00 0.00 H new ATOM 494 N THR A 34 8.812 -1.997 7.051 1.00 0.00 N ATOM 495 CA THR A 34 8.703 -3.053 8.051 1.00 0.00 C ATOM 496 C THR A 34 8.063 -4.258 7.388 1.00 0.00 C ATOM 497 O THR A 34 8.546 -5.386 7.480 1.00 0.00 O ATOM 498 CB THR A 34 7.799 -2.580 9.204 1.00 0.00 C ATOM 499 OG1 THR A 34 8.216 -1.299 9.648 1.00 0.00 O ATOM 500 CG2 THR A 34 7.860 -3.567 10.371 1.00 0.00 C ATOM 0 H THR A 34 8.413 -1.100 7.327 1.00 0.00 H new ATOM 0 HA THR A 34 9.688 -3.303 8.445 1.00 0.00 H new ATOM 0 HB THR A 34 6.773 -2.525 8.840 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.000 -0.630 8.965 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.215 -3.217 11.177 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.523 -4.548 10.036 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.886 -3.640 10.732 1.00 0.00 H new ATOM 508 N VAL A 35 6.966 -3.974 6.716 1.00 0.00 N ATOM 509 CA VAL A 35 6.210 -4.999 6.005 1.00 0.00 C ATOM 510 C VAL A 35 7.053 -5.617 4.881 1.00 0.00 C ATOM 511 O VAL A 35 7.132 -6.838 4.764 1.00 0.00 O ATOM 512 CB VAL A 35 4.930 -4.363 5.460 1.00 0.00 C ATOM 513 CG1 VAL A 35 4.151 -5.371 4.626 1.00 0.00 C ATOM 514 CG2 VAL A 35 4.091 -3.908 6.650 1.00 0.00 C ATOM 0 H VAL A 35 6.571 -3.036 6.644 1.00 0.00 H new ATOM 0 HA VAL A 35 5.949 -5.809 6.686 1.00 0.00 H new ATOM 0 HB VAL A 35 5.174 -3.515 4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.243 -4.904 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.766 -5.704 3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.886 -6.228 5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.170 -3.449 6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.849 -4.768 7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.654 -3.181 7.236 1.00 0.00 H new ATOM 524 N MET A 36 7.693 -4.779 4.072 1.00 0.00 N ATOM 525 CA MET A 36 8.531 -5.290 2.987 1.00 0.00 C ATOM 526 C MET A 36 9.707 -6.084 3.551 1.00 0.00 C ATOM 527 O MET A 36 10.045 -7.164 3.067 1.00 0.00 O ATOM 528 CB MET A 36 9.043 -4.125 2.137 1.00 0.00 C ATOM 529 CG MET A 36 7.855 -3.395 1.499 1.00 0.00 C ATOM 530 SD MET A 36 7.032 -4.475 0.299 1.00 0.00 S ATOM 531 CE MET A 36 8.122 -4.142 -1.108 1.00 0.00 C ATOM 0 H MET A 36 7.651 -3.762 4.142 1.00 0.00 H new ATOM 0 HA MET A 36 7.933 -5.954 2.363 1.00 0.00 H new ATOM 0 HB2 MET A 36 9.618 -3.435 2.755 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.715 -4.494 1.362 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.148 -3.091 2.271 1.00 0.00 H new ATOM 0 HG3 MET A 36 8.199 -2.486 1.006 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.718 -4.618 -2.002 1.00 0.00 H new ATOM 0 HE2 MET A 36 8.190 -3.066 -1.269 1.00 0.00 H new ATOM 0 HE3 MET A 36 9.115 -4.541 -0.901 1.00 0.00 H new ATOM 541 N ARG A 37 10.304 -5.542 4.600 1.00 0.00 N ATOM 542 CA ARG A 37 11.438 -6.193 5.257 1.00 0.00 C ATOM 543 C ARG A 37 11.077 -7.621 5.628 1.00 0.00 C ATOM 544 O ARG A 37 11.821 -8.564 5.358 1.00 0.00 O ATOM 545 CB ARG A 37 11.729 -5.432 6.545 1.00 0.00 C ATOM 546 CG ARG A 37 12.952 -6.006 7.259 1.00 0.00 C ATOM 547 CD ARG A 37 13.161 -5.240 8.571 1.00 0.00 C ATOM 548 NE ARG A 37 14.319 -5.761 9.288 1.00 0.00 N ATOM 549 CZ ARG A 37 14.496 -5.516 10.584 1.00 0.00 C ATOM 550 NH1 ARG A 37 13.615 -4.815 11.246 1.00 0.00 N ATOM 551 NH2 ARG A 37 15.551 -5.982 11.198 1.00 0.00 N ATOM 0 H ARG A 37 10.027 -4.654 5.018 1.00 0.00 H new ATOM 0 HA ARG A 37 12.298 -6.197 4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.897 -4.379 6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.862 -5.482 7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.808 -7.068 7.460 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.835 -5.918 6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.303 -4.180 8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.271 -5.326 9.195 1.00 0.00 H new ATOM 0 HE ARG A 37 15.006 -6.324 8.787 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.789 -4.454 10.770 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.753 -4.629 12.239 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.238 -6.533 10.684 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.687 -5.795 12.191 1.00 0.00 H new ATOM 565 N SER A 38 9.931 -7.747 6.267 1.00 0.00 N ATOM 566 CA SER A 38 9.443 -9.046 6.716 1.00 0.00 C ATOM 567 C SER A 38 8.983 -9.921 5.548 1.00 0.00 C ATOM 568 O SER A 38 8.992 -11.149 5.646 1.00 0.00 O ATOM 569 CB SER A 38 8.280 -8.838 7.689 1.00 0.00 C ATOM 570 OG SER A 38 8.784 -8.353 8.927 1.00 0.00 O ATOM 0 H SER A 38 9.315 -6.965 6.490 1.00 0.00 H new ATOM 0 HA SER A 38 10.266 -9.562 7.210 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.564 -8.130 7.272 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.747 -9.776 7.843 1.00 0.00 H new ATOM 0 HG SER A 38 8.041 -8.217 9.552 1.00 0.00 H new ATOM 576 N LEU A 39 8.559 -9.289 4.463 1.00 0.00 N ATOM 577 CA LEU A 39 8.067 -10.024 3.292 1.00 0.00 C ATOM 578 C LEU A 39 9.212 -10.470 2.374 1.00 0.00 C ATOM 579 O LEU A 39 9.038 -10.587 1.161 1.00 0.00 O ATOM 580 CB LEU A 39 7.054 -9.141 2.520 1.00 0.00 C ATOM 581 CG LEU A 39 5.600 -9.477 2.930 1.00 0.00 C ATOM 582 CD1 LEU A 39 5.362 -9.131 4.407 1.00 0.00 C ATOM 583 CD2 LEU A 39 4.630 -8.667 2.058 1.00 0.00 C ATOM 0 H LEU A 39 8.543 -8.274 4.363 1.00 0.00 H new ATOM 0 HA LEU A 39 7.570 -10.930 3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.258 -8.089 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.177 -9.292 1.448 1.00 0.00 H new ATOM 0 HG LEU A 39 5.432 -10.545 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.334 -9.374 4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.047 -9.706 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.536 -8.066 4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.604 -8.900 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.814 -7.602 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.783 -8.923 1.010 1.00 0.00 H new ATOM 595 N GLY A 40 10.375 -10.750 2.959 1.00 0.00 N ATOM 596 CA GLY A 40 11.519 -11.214 2.180 1.00 0.00 C ATOM 597 C GLY A 40 12.040 -10.121 1.258 1.00 0.00 C ATOM 598 O GLY A 40 13.094 -10.271 0.638 1.00 0.00 O ATOM 0 H GLY A 40 10.549 -10.665 3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.314 -11.534 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.231 -12.084 1.590 1.00 0.00 H new ATOM 602 N GLN A 41 11.303 -9.018 1.180 1.00 0.00 N ATOM 603 CA GLN A 41 11.705 -7.896 0.340 1.00 0.00 C ATOM 604 C GLN A 41 12.660 -6.993 1.114 1.00 0.00 C ATOM 605 O GLN A 41 12.544 -6.864 2.332 1.00 0.00 O ATOM 606 CB GLN A 41 10.467 -7.098 -0.092 1.00 0.00 C ATOM 607 CG GLN A 41 9.583 -7.961 -0.997 1.00 0.00 C ATOM 608 CD GLN A 41 10.292 -8.230 -2.321 1.00 0.00 C ATOM 609 OE1 GLN A 41 11.006 -7.367 -2.829 1.00 0.00 O ATOM 610 NE2 GLN A 41 10.127 -9.378 -2.918 1.00 0.00 N ATOM 0 H GLN A 41 10.428 -8.877 1.686 1.00 0.00 H new ATOM 0 HA GLN A 41 12.210 -8.275 -0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.904 -6.780 0.785 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.772 -6.195 -0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.352 -8.904 -0.501 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.634 -7.457 -1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.534 -10.092 -2.495 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.591 -9.561 -3.808 1.00 0.00 H new ATOM 619 N ASN A 42 13.614 -6.379 0.410 1.00 0.00 N ATOM 620 CA ASN A 42 14.595 -5.498 1.061 1.00 0.00 C ATOM 621 C ASN A 42 14.799 -4.215 0.261 1.00 0.00 C ATOM 622 O ASN A 42 15.891 -3.967 -0.252 1.00 0.00 O ATOM 623 CB ASN A 42 15.938 -6.221 1.185 1.00 0.00 C ATOM 624 CG ASN A 42 16.459 -6.595 -0.197 1.00 0.00 C ATOM 625 OD1 ASN A 42 15.844 -6.255 -1.207 1.00 0.00 O ATOM 626 ND2 ASN A 42 17.565 -7.279 -0.305 1.00 0.00 N ATOM 0 H ASN A 42 13.730 -6.472 -0.599 1.00 0.00 H new ATOM 0 HA ASN A 42 14.211 -5.241 2.048 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.659 -5.581 1.693 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.823 -7.118 1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.920 -7.532 -1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 42 18.074 -7.561 0.533 1.00 0.00 H new ATOM 633 N PRO A 43 13.786 -3.396 0.147 1.00 0.00 N ATOM 634 CA PRO A 43 13.878 -2.111 -0.599 1.00 0.00 C ATOM 635 C PRO A 43 14.643 -1.056 0.186 1.00 0.00 C ATOM 636 O PRO A 43 14.659 -1.083 1.417 1.00 0.00 O ATOM 637 CB PRO A 43 12.414 -1.703 -0.766 1.00 0.00 C ATOM 638 CG PRO A 43 11.745 -2.252 0.446 1.00 0.00 C ATOM 639 CD PRO A 43 12.442 -3.585 0.727 1.00 0.00 C ATOM 0 HA PRO A 43 14.415 -2.212 -1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.306 -0.620 -0.825 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.986 -2.116 -1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.844 -1.571 1.292 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.678 -2.395 0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.491 -3.796 1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.917 -4.419 0.262 1.00 0.00 H new ATOM 647 N THR A 44 15.231 -0.096 -0.523 1.00 0.00 N ATOM 648 CA THR A 44 15.939 0.990 0.137 1.00 0.00 C ATOM 649 C THR A 44 14.971 2.152 0.286 1.00 0.00 C ATOM 650 O THR A 44 13.947 2.197 -0.392 1.00 0.00 O ATOM 651 CB THR A 44 17.165 1.421 -0.679 1.00 0.00 C ATOM 652 OG1 THR A 44 17.856 0.266 -1.136 1.00 0.00 O ATOM 653 CG2 THR A 44 18.100 2.251 0.203 1.00 0.00 C ATOM 0 H THR A 44 15.230 -0.050 -1.542 1.00 0.00 H new ATOM 0 HA THR A 44 16.296 0.661 1.113 1.00 0.00 H new ATOM 0 HB THR A 44 16.842 2.018 -1.532 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.639 0.539 -1.659 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.971 2.557 -0.377 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.573 3.136 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.423 1.652 1.055 1.00 0.00 H new ATOM 661 N GLU A 45 15.281 3.075 1.173 1.00 0.00 N ATOM 662 CA GLU A 45 14.402 4.216 1.410 1.00 0.00 C ATOM 663 C GLU A 45 14.096 4.973 0.116 1.00 0.00 C ATOM 664 O GLU A 45 12.987 5.480 -0.055 1.00 0.00 O ATOM 665 CB GLU A 45 15.034 5.157 2.438 1.00 0.00 C ATOM 666 CG GLU A 45 16.549 5.168 2.248 1.00 0.00 C ATOM 667 CD GLU A 45 17.172 6.289 3.073 1.00 0.00 C ATOM 668 OE1 GLU A 45 17.177 6.171 4.287 1.00 0.00 O ATOM 669 OE2 GLU A 45 17.630 7.247 2.477 1.00 0.00 O ATOM 0 H GLU A 45 16.128 3.064 1.741 1.00 0.00 H new ATOM 0 HA GLU A 45 13.458 3.836 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.634 6.164 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.785 4.831 3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.968 4.208 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.790 5.304 1.194 1.00 0.00 H new ATOM 676 N ALA A 46 15.057 5.035 -0.797 1.00 0.00 N ATOM 677 CA ALA A 46 14.824 5.725 -2.060 1.00 0.00 C ATOM 678 C ALA A 46 13.632 5.102 -2.762 1.00 0.00 C ATOM 679 O ALA A 46 12.760 5.795 -3.284 1.00 0.00 O ATOM 680 CB ALA A 46 16.054 5.605 -2.961 1.00 0.00 C ATOM 0 H ALA A 46 15.985 4.626 -0.692 1.00 0.00 H new ATOM 0 HA ALA A 46 14.629 6.778 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.868 6.124 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.915 6.052 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.257 4.553 -3.161 1.00 0.00 H new ATOM 686 N GLU A 47 13.622 3.781 -2.775 1.00 0.00 N ATOM 687 CA GLU A 47 12.561 3.028 -3.419 1.00 0.00 C ATOM 688 C GLU A 47 11.216 3.273 -2.735 1.00 0.00 C ATOM 689 O GLU A 47 10.192 3.414 -3.403 1.00 0.00 O ATOM 690 CB GLU A 47 12.925 1.549 -3.377 1.00 0.00 C ATOM 691 CG GLU A 47 14.233 1.350 -4.150 1.00 0.00 C ATOM 692 CD GLU A 47 14.010 1.611 -5.639 1.00 0.00 C ATOM 693 OE1 GLU A 47 12.869 1.560 -6.061 1.00 0.00 O ATOM 694 OE2 GLU A 47 14.984 1.856 -6.330 1.00 0.00 O ATOM 0 H GLU A 47 14.343 3.204 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 47 12.460 3.356 -4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.040 1.216 -2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.129 0.950 -3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.998 2.025 -3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.601 0.335 -4.002 1.00 0.00 H new ATOM 701 N LEU A 48 11.216 3.322 -1.398 1.00 0.00 N ATOM 702 CA LEU A 48 9.973 3.546 -0.651 1.00 0.00 C ATOM 703 C LEU A 48 9.371 4.900 -0.985 1.00 0.00 C ATOM 704 O LEU A 48 8.169 5.019 -1.228 1.00 0.00 O ATOM 705 CB LEU A 48 10.253 3.528 0.850 1.00 0.00 C ATOM 706 CG LEU A 48 10.990 2.248 1.220 1.00 0.00 C ATOM 707 CD1 LEU A 48 11.332 2.260 2.724 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.111 1.032 0.882 1.00 0.00 C ATOM 0 H LEU A 48 12.048 3.212 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 48 9.280 2.752 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.850 4.396 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.317 3.593 1.405 1.00 0.00 H new ATOM 0 HG LEU A 48 11.917 2.184 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.859 1.342 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.966 3.118 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.413 2.328 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.639 0.116 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.179 1.089 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.891 1.028 -0.186 1.00 0.00 H new ATOM 720 N GLN A 49 10.219 5.916 -0.996 1.00 0.00 N ATOM 721 CA GLN A 49 9.768 7.271 -1.292 1.00 0.00 C ATOM 722 C GLN A 49 9.323 7.350 -2.741 1.00 0.00 C ATOM 723 O GLN A 49 8.265 7.897 -3.058 1.00 0.00 O ATOM 724 CB GLN A 49 10.906 8.263 -1.048 1.00 0.00 C ATOM 725 CG GLN A 49 10.344 9.685 -0.981 1.00 0.00 C ATOM 726 CD GLN A 49 9.568 9.878 0.316 1.00 0.00 C ATOM 727 OE1 GLN A 49 8.344 9.764 0.330 1.00 0.00 O ATOM 728 NE2 GLN A 49 10.214 10.161 1.415 1.00 0.00 N ATOM 0 H GLN A 49 11.217 5.832 -0.805 1.00 0.00 H new ATOM 0 HA GLN A 49 8.931 7.522 -0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.420 8.020 -0.118 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.643 8.190 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.157 10.409 -1.039 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.692 9.868 -1.835 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.230 10.255 1.400 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.703 10.288 2.289 1.00 0.00 H new ATOM 737 N ASP A 50 10.145 6.783 -3.613 1.00 0.00 N ATOM 738 CA ASP A 50 9.861 6.764 -5.025 1.00 0.00 C ATOM 739 C ASP A 50 8.582 5.977 -5.297 1.00 0.00 C ATOM 740 O ASP A 50 7.730 6.406 -6.079 1.00 0.00 O ATOM 741 CB ASP A 50 11.045 6.116 -5.731 1.00 0.00 C ATOM 742 CG ASP A 50 12.245 7.059 -5.701 1.00 0.00 C ATOM 743 OD1 ASP A 50 12.051 8.225 -5.397 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.340 6.601 -5.980 1.00 0.00 O ATOM 0 H ASP A 50 11.021 6.328 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 50 9.712 7.778 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.299 5.174 -5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.781 5.881 -6.762 1.00 0.00 H new ATOM 749 N MET A 51 8.445 4.837 -4.625 1.00 0.00 N ATOM 750 CA MET A 51 7.256 4.009 -4.782 1.00 0.00 C ATOM 751 C MET A 51 6.037 4.804 -4.342 1.00 0.00 C ATOM 752 O MET A 51 4.988 4.783 -4.989 1.00 0.00 O ATOM 753 CB MET A 51 7.390 2.748 -3.921 1.00 0.00 C ATOM 754 CG MET A 51 6.175 1.839 -4.135 1.00 0.00 C ATOM 755 SD MET A 51 6.370 0.340 -3.137 1.00 0.00 S ATOM 756 CE MET A 51 7.323 -0.621 -4.342 1.00 0.00 C ATOM 0 H MET A 51 9.137 4.469 -3.972 1.00 0.00 H new ATOM 0 HA MET A 51 7.145 3.717 -5.826 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.304 2.215 -4.181 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.469 3.022 -2.869 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.261 2.361 -3.853 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.082 1.579 -5.189 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.556 -1.600 -3.924 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.738 -0.745 -5.253 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.250 -0.096 -4.575 1.00 0.00 H new ATOM 766 N ILE A 52 6.206 5.521 -3.238 1.00 0.00 N ATOM 767 CA ILE A 52 5.150 6.359 -2.688 1.00 0.00 C ATOM 768 C ILE A 52 4.864 7.543 -3.616 1.00 0.00 C ATOM 769 O ILE A 52 3.711 7.875 -3.870 1.00 0.00 O ATOM 770 CB ILE A 52 5.595 6.856 -1.291 1.00 0.00 C ATOM 771 CG1 ILE A 52 5.394 5.737 -0.265 1.00 0.00 C ATOM 772 CG2 ILE A 52 4.793 8.086 -0.851 1.00 0.00 C ATOM 773 CD1 ILE A 52 6.109 6.090 1.039 1.00 0.00 C ATOM 0 H ILE A 52 7.074 5.538 -2.702 1.00 0.00 H new ATOM 0 HA ILE A 52 4.230 5.781 -2.597 1.00 0.00 H new ATOM 0 HB ILE A 52 6.647 7.134 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.330 5.590 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.781 4.797 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.132 8.408 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.942 8.893 -1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.734 7.833 -0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.961 5.289 1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.175 6.214 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.702 7.019 1.437 1.00 0.00 H new ATOM 785 N ASN A 53 5.930 8.177 -4.093 1.00 0.00 N ATOM 786 CA ASN A 53 5.817 9.357 -4.953 1.00 0.00 C ATOM 787 C ASN A 53 5.020 9.086 -6.233 1.00 0.00 C ATOM 788 O ASN A 53 4.294 9.965 -6.704 1.00 0.00 O ATOM 789 CB ASN A 53 7.219 9.869 -5.296 1.00 0.00 C ATOM 790 CG ASN A 53 7.892 10.429 -4.038 1.00 0.00 C ATOM 791 OD1 ASN A 53 9.100 10.662 -4.037 1.00 0.00 O ATOM 792 ND2 ASN A 53 7.184 10.650 -2.961 1.00 0.00 N ATOM 0 H ASN A 53 6.890 7.893 -3.899 1.00 0.00 H new ATOM 0 HA ASN A 53 5.264 10.116 -4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.820 9.060 -5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.156 10.643 -6.061 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.633 11.015 -2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.182 10.457 -2.961 1.00 0.00 H new ATOM 799 N GLU A 54 5.147 7.893 -6.800 1.00 0.00 N ATOM 800 CA GLU A 54 4.424 7.550 -8.008 1.00 0.00 C ATOM 801 C GLU A 54 2.925 7.429 -7.719 1.00 0.00 C ATOM 802 O GLU A 54 2.093 7.514 -8.624 1.00 0.00 O ATOM 803 CB GLU A 54 4.983 6.219 -8.532 1.00 0.00 C ATOM 804 CG GLU A 54 4.001 5.578 -9.503 1.00 0.00 C ATOM 805 CD GLU A 54 4.672 4.435 -10.251 1.00 0.00 C ATOM 806 OE1 GLU A 54 5.890 4.425 -10.312 1.00 0.00 O ATOM 807 OE2 GLU A 54 3.957 3.585 -10.756 1.00 0.00 O ATOM 0 H GLU A 54 5.745 7.150 -6.439 1.00 0.00 H new ATOM 0 HA GLU A 54 4.552 8.331 -8.758 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.938 6.389 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.173 5.543 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.132 5.206 -8.960 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.640 6.323 -10.211 1.00 0.00 H new ATOM 814 N VAL A 55 2.607 7.213 -6.453 1.00 0.00 N ATOM 815 CA VAL A 55 1.227 7.056 -6.012 1.00 0.00 C ATOM 816 C VAL A 55 0.774 8.286 -5.258 1.00 0.00 C ATOM 817 O VAL A 55 -0.420 8.562 -5.154 1.00 0.00 O ATOM 818 CB VAL A 55 1.155 5.846 -5.085 1.00 0.00 C ATOM 819 CG1 VAL A 55 -0.277 5.649 -4.570 1.00 0.00 C ATOM 820 CG2 VAL A 55 1.616 4.603 -5.845 1.00 0.00 C ATOM 0 H VAL A 55 3.294 7.141 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 55 0.580 6.918 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 55 1.807 6.012 -4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.310 4.782 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.591 6.536 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.948 5.489 -5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.567 3.735 -5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.968 4.442 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.642 4.744 -6.184 1.00 0.00 H new ATOM 830 N ASP A 56 1.745 9.011 -4.718 1.00 0.00 N ATOM 831 CA ASP A 56 1.468 10.207 -3.945 1.00 0.00 C ATOM 832 C ASP A 56 0.805 11.285 -4.801 1.00 0.00 C ATOM 833 O ASP A 56 1.040 12.471 -4.606 1.00 0.00 O ATOM 834 CB ASP A 56 2.780 10.731 -3.346 1.00 0.00 C ATOM 835 CG ASP A 56 2.527 11.646 -2.154 1.00 0.00 C ATOM 836 OD1 ASP A 56 1.374 11.894 -1.861 1.00 0.00 O ATOM 837 OD2 ASP A 56 3.494 12.088 -1.550 1.00 0.00 O ATOM 0 H ASP A 56 2.736 8.787 -4.804 1.00 0.00 H new ATOM 0 HA ASP A 56 0.772 9.954 -3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.400 9.890 -3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.338 11.273 -4.109 1.00 0.00 H new ATOM 842 N ALA A 57 -0.026 10.866 -5.759 1.00 0.00 N ATOM 843 CA ALA A 57 -0.726 11.807 -6.639 1.00 0.00 C ATOM 844 C ALA A 57 -1.141 13.059 -5.875 1.00 0.00 C ATOM 845 O ALA A 57 -1.282 14.140 -6.445 1.00 0.00 O ATOM 846 CB ALA A 57 -1.973 11.130 -7.207 1.00 0.00 C ATOM 0 H ALA A 57 -0.231 9.884 -5.945 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.052 12.098 -7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.498 11.825 -7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.681 10.247 -7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.631 10.835 -6.390 1.00 0.00 H new ATOM 852 N ASP A 58 -1.336 12.893 -4.572 1.00 0.00 N ATOM 853 CA ASP A 58 -1.741 13.992 -3.705 1.00 0.00 C ATOM 854 C ASP A 58 -0.528 14.782 -3.211 1.00 0.00 C ATOM 855 O ASP A 58 -0.586 16.004 -3.086 1.00 0.00 O ATOM 856 CB ASP A 58 -2.513 13.436 -2.507 1.00 0.00 C ATOM 857 CG ASP A 58 -1.695 12.344 -1.831 1.00 0.00 C ATOM 858 OD1 ASP A 58 -0.846 11.779 -2.496 1.00 0.00 O ATOM 859 OD2 ASP A 58 -1.935 12.086 -0.664 1.00 0.00 O ATOM 0 H ASP A 58 -1.219 12.001 -4.091 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.377 14.667 -4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.727 14.235 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.472 13.035 -2.835 1.00 0.00 H new ATOM 864 N GLY A 59 0.571 14.079 -2.935 1.00 0.00 N ATOM 865 CA GLY A 59 1.791 14.732 -2.462 1.00 0.00 C ATOM 866 C GLY A 59 1.786 14.888 -0.943 1.00 0.00 C ATOM 867 O GLY A 59 1.809 16.007 -0.430 1.00 0.00 O ATOM 0 H GLY A 59 0.641 13.066 -3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.660 14.148 -2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.886 15.712 -2.930 1.00 0.00 H new ATOM 871 N ASN A 60 1.755 13.758 -0.223 1.00 0.00 N ATOM 872 CA ASN A 60 1.747 13.784 1.246 1.00 0.00 C ATOM 873 C ASN A 60 2.910 12.969 1.821 1.00 0.00 C ATOM 874 O ASN A 60 3.274 13.139 2.985 1.00 0.00 O ATOM 875 CB ASN A 60 0.419 13.232 1.768 1.00 0.00 C ATOM 876 CG ASN A 60 0.279 11.760 1.398 1.00 0.00 C ATOM 877 OD1 ASN A 60 1.262 11.115 1.039 1.00 0.00 O ATOM 878 ND2 ASN A 60 -0.895 11.190 1.463 1.00 0.00 N ATOM 0 H ASN A 60 1.735 12.823 -0.629 1.00 0.00 H new ATOM 0 HA ASN A 60 1.865 14.819 1.568 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.369 13.349 2.851 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.410 13.801 1.347 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.999 10.206 1.215 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.708 11.729 1.761 1.00 0.00 H new ATOM 885 N GLY A 61 3.495 12.090 1.007 1.00 0.00 N ATOM 886 CA GLY A 61 4.621 11.270 1.456 1.00 0.00 C ATOM 887 C GLY A 61 4.157 10.068 2.270 1.00 0.00 C ATOM 888 O GLY A 61 4.972 9.278 2.744 1.00 0.00 O ATOM 0 H GLY A 61 3.211 11.928 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.188 10.926 0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.296 11.878 2.058 1.00 0.00 H new ATOM 892 N THR A 62 2.846 9.914 2.403 1.00 0.00 N ATOM 893 CA THR A 62 2.282 8.778 3.130 1.00 0.00 C ATOM 894 C THR A 62 1.108 8.225 2.351 1.00 0.00 C ATOM 895 O THR A 62 0.568 8.892 1.476 1.00 0.00 O ATOM 896 CB THR A 62 1.860 9.185 4.541 1.00 0.00 C ATOM 897 OG1 THR A 62 0.801 10.130 4.473 1.00 0.00 O ATOM 898 CG2 THR A 62 3.060 9.796 5.256 1.00 0.00 C ATOM 0 H THR A 62 2.153 10.557 2.020 1.00 0.00 H new ATOM 0 HA THR A 62 3.043 8.004 3.231 1.00 0.00 H new ATOM 0 HB THR A 62 1.512 8.310 5.091 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.533 10.387 5.380 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.771 10.091 6.265 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.864 9.062 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.404 10.672 4.706 1.00 0.00 H new ATOM 906 N ILE A 63 0.750 6.983 2.628 1.00 0.00 N ATOM 907 CA ILE A 63 -0.325 6.328 1.881 1.00 0.00 C ATOM 908 C ILE A 63 -1.649 6.332 2.630 1.00 0.00 C ATOM 909 O ILE A 63 -1.756 5.766 3.712 1.00 0.00 O ATOM 910 CB ILE A 63 0.071 4.875 1.606 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.555 4.807 1.232 1.00 0.00 C ATOM 912 CG2 ILE A 63 -0.762 4.328 0.445 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.948 3.352 0.984 1.00 0.00 C ATOM 0 H ILE A 63 1.178 6.409 3.354 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.463 6.889 0.956 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.109 4.280 2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.745 5.404 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.163 5.228 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.479 3.294 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.820 4.372 0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.581 4.928 -0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.004 3.301 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.773 2.769 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.348 2.947 0.169 1.00 0.00 H new ATOM 925 N ASP A 64 -2.663 6.931 2.007 1.00 0.00 N ATOM 926 CA ASP A 64 -3.998 6.953 2.581 1.00 0.00 C ATOM 927 C ASP A 64 -4.677 5.671 2.122 1.00 0.00 C ATOM 928 O ASP A 64 -4.397 5.207 1.017 1.00 0.00 O ATOM 929 CB ASP A 64 -4.784 8.173 2.074 1.00 0.00 C ATOM 930 CG ASP A 64 -3.903 9.415 2.112 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.112 9.530 3.033 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.040 10.237 1.221 1.00 0.00 O ATOM 0 H ASP A 64 -2.581 7.405 1.107 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.957 7.021 3.668 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.131 7.995 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.670 8.327 2.690 1.00 0.00 H new ATOM 937 N PHE A 65 -5.534 5.065 2.934 1.00 0.00 N ATOM 938 CA PHE A 65 -6.152 3.820 2.493 1.00 0.00 C ATOM 939 C PHE A 65 -6.674 3.937 1.039 1.00 0.00 C ATOM 940 O PHE A 65 -6.405 3.058 0.221 1.00 0.00 O ATOM 941 CB PHE A 65 -7.266 3.324 3.445 1.00 0.00 C ATOM 942 CG PHE A 65 -8.056 2.302 2.682 1.00 0.00 C ATOM 943 CD1 PHE A 65 -7.476 1.063 2.423 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.316 2.616 2.170 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.157 0.121 1.661 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.002 1.672 1.397 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.422 0.421 1.143 1.00 0.00 C ATOM 0 H PHE A 65 -5.808 5.395 3.859 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.366 3.065 2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.839 2.889 4.348 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.903 4.150 3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.496 0.834 2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.759 3.581 2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.710 -0.843 1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.977 1.907 0.997 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.950 -0.310 0.549 1.00 0.00 H new ATOM 957 N PRO A 66 -7.408 4.966 0.681 1.00 0.00 N ATOM 958 CA PRO A 66 -7.928 5.100 -0.716 1.00 0.00 C ATOM 959 C PRO A 66 -6.815 4.976 -1.749 1.00 0.00 C ATOM 960 O PRO A 66 -6.919 4.208 -2.708 1.00 0.00 O ATOM 961 CB PRO A 66 -8.545 6.501 -0.737 1.00 0.00 C ATOM 962 CG PRO A 66 -8.906 6.773 0.680 1.00 0.00 C ATOM 963 CD PRO A 66 -7.832 6.092 1.522 1.00 0.00 C ATOM 0 HA PRO A 66 -8.640 4.315 -0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.838 7.240 -1.115 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.422 6.538 -1.384 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.936 7.845 0.877 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.895 6.378 0.914 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.004 6.766 1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.227 5.753 2.480 1.00 0.00 H new ATOM 971 N GLU A 67 -5.737 5.715 -1.538 1.00 0.00 N ATOM 972 CA GLU A 67 -4.616 5.644 -2.456 1.00 0.00 C ATOM 973 C GLU A 67 -4.180 4.201 -2.560 1.00 0.00 C ATOM 974 O GLU A 67 -4.083 3.629 -3.648 1.00 0.00 O ATOM 975 CB GLU A 67 -3.452 6.471 -1.928 1.00 0.00 C ATOM 976 CG GLU A 67 -3.800 7.953 -1.988 1.00 0.00 C ATOM 977 CD GLU A 67 -2.788 8.738 -1.167 1.00 0.00 C ATOM 978 OE1 GLU A 67 -1.948 8.104 -0.547 1.00 0.00 O ATOM 979 OE2 GLU A 67 -2.878 9.954 -1.151 1.00 0.00 O ATOM 0 H GLU A 67 -5.617 6.358 -0.755 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.916 6.032 -3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.226 6.183 -0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.557 6.274 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.794 8.299 -3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.806 8.119 -1.602 1.00 0.00 H new ATOM 986 N PHE A 68 -3.937 3.615 -1.402 1.00 0.00 N ATOM 987 CA PHE A 68 -3.535 2.231 -1.331 1.00 0.00 C ATOM 988 C PHE A 68 -4.528 1.342 -2.095 1.00 0.00 C ATOM 989 O PHE A 68 -4.169 0.254 -2.551 1.00 0.00 O ATOM 990 CB PHE A 68 -3.458 1.810 0.141 1.00 0.00 C ATOM 991 CG PHE A 68 -3.307 0.319 0.263 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.051 -0.284 0.149 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.435 -0.458 0.521 1.00 0.00 C ATOM 994 CE1 PHE A 68 -1.931 -1.666 0.287 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.311 -1.837 0.660 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.063 -2.441 0.544 1.00 0.00 C ATOM 0 H PHE A 68 -4.013 4.081 -0.498 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.555 2.112 -1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.615 2.306 0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.358 2.133 0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.176 0.319 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.404 0.010 0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.963 -2.136 0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.185 -2.440 0.858 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.970 -3.511 0.653 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.772 1.823 -2.251 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.789 1.061 -2.982 1.00 0.00 C ATOM 1008 C LEU A 69 -6.486 1.063 -4.485 1.00 0.00 C ATOM 1009 O LEU A 69 -6.533 0.025 -5.143 1.00 0.00 O ATOM 1010 CB LEU A 69 -8.194 1.668 -2.716 1.00 0.00 C ATOM 1011 CG LEU A 69 -9.205 0.574 -2.322 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -10.531 1.218 -1.911 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -9.456 -0.373 -3.501 1.00 0.00 C ATOM 0 H LEU A 69 -6.091 2.721 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.774 0.029 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.128 2.410 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.544 2.187 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.792 0.008 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.243 0.440 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.366 1.879 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.930 1.794 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.172 -1.140 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.856 0.192 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.519 -0.846 -3.794 1.00 0.00 H new ATOM 1025 N ASN A 70 -6.164 2.248 -5.009 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.843 2.399 -6.432 1.00 0.00 C ATOM 1027 C ASN A 70 -4.619 1.559 -6.753 1.00 0.00 C ATOM 1028 O ASN A 70 -4.547 0.855 -7.761 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.528 3.872 -6.699 1.00 0.00 C ATOM 1030 CG ASN A 70 -4.998 4.073 -8.116 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -4.150 4.938 -8.340 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -5.446 3.328 -9.086 1.00 0.00 N ATOM 0 H ASN A 70 -6.118 3.114 -4.473 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.681 2.075 -7.049 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.427 4.471 -6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.791 4.226 -5.978 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.095 3.460 -10.034 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.148 2.613 -8.897 1.00 0.00 H new ATOM 1039 N LEU A 71 -3.687 1.646 -5.832 1.00 0.00 N ATOM 1040 CA LEU A 71 -2.436 0.925 -5.872 1.00 0.00 C ATOM 1041 C LEU A 71 -2.708 -0.583 -5.838 1.00 0.00 C ATOM 1042 O LEU A 71 -1.965 -1.381 -6.426 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.670 1.417 -4.642 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.468 0.559 -4.276 1.00 0.00 C ATOM 1045 CD1 LEU A 71 0.592 0.643 -5.366 1.00 0.00 C ATOM 1046 CD2 LEU A 71 0.106 1.107 -2.971 1.00 0.00 C ATOM 0 H LEU A 71 -3.782 2.240 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.858 1.099 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.333 2.438 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.352 1.451 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.768 -0.483 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.446 0.024 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.174 0.287 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.915 1.678 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.972 0.514 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.408 2.145 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.652 1.054 -2.189 1.00 0.00 H new ATOM 1058 N MET A 72 -3.801 -0.955 -5.175 1.00 0.00 N ATOM 1059 CA MET A 72 -4.199 -2.359 -5.083 1.00 0.00 C ATOM 1060 C MET A 72 -4.967 -2.789 -6.341 1.00 0.00 C ATOM 1061 O MET A 72 -4.770 -3.891 -6.851 1.00 0.00 O ATOM 1062 CB MET A 72 -5.100 -2.554 -3.836 1.00 0.00 C ATOM 1063 CG MET A 72 -4.425 -3.460 -2.798 1.00 0.00 C ATOM 1064 SD MET A 72 -4.083 -5.079 -3.524 1.00 0.00 S ATOM 1065 CE MET A 72 -3.363 -5.827 -2.044 1.00 0.00 C ATOM 0 H MET A 72 -4.425 -0.307 -4.695 1.00 0.00 H new ATOM 0 HA MET A 72 -3.303 -2.973 -4.996 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.320 -1.585 -3.388 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.053 -2.989 -4.137 1.00 0.00 H new ATOM 0 HG2 MET A 72 -3.497 -3.004 -2.452 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.069 -3.572 -1.926 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.462 -6.911 -2.099 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.308 -5.562 -1.979 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.885 -5.460 -1.160 1.00 0.00 H new ATOM 1075 N ALA A 73 -5.832 -1.909 -6.832 1.00 0.00 N ATOM 1076 CA ALA A 73 -6.616 -2.205 -8.030 1.00 0.00 C ATOM 1077 C ALA A 73 -5.716 -2.202 -9.253 1.00 0.00 C ATOM 1078 O ALA A 73 -5.882 -3.012 -10.164 1.00 0.00 O ATOM 1079 CB ALA A 73 -7.726 -1.172 -8.208 1.00 0.00 C ATOM 0 H ALA A 73 -6.009 -0.991 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.066 -3.191 -7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.301 -1.406 -9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.384 -1.192 -7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.287 -0.179 -8.308 1.00 0.00 H new ATOM 1085 N ARG A 74 -4.745 -1.297 -9.248 1.00 0.00 N ATOM 1086 CA ARG A 74 -3.800 -1.202 -10.347 1.00 0.00 C ATOM 1087 C ARG A 74 -2.935 -2.451 -10.378 1.00 0.00 C ATOM 1088 O ARG A 74 -2.690 -3.029 -11.434 1.00 0.00 O ATOM 1089 CB ARG A 74 -2.923 0.037 -10.159 1.00 0.00 C ATOM 1090 CG ARG A 74 -1.987 0.195 -11.359 1.00 0.00 C ATOM 1091 CD ARG A 74 -1.179 1.485 -11.208 1.00 0.00 C ATOM 1092 NE ARG A 74 -0.427 1.747 -12.429 1.00 0.00 N ATOM 1093 CZ ARG A 74 0.308 2.848 -12.565 1.00 0.00 C ATOM 1094 NH1 ARG A 74 0.370 3.722 -11.598 1.00 0.00 N ATOM 1095 NH2 ARG A 74 0.967 3.054 -13.672 1.00 0.00 N ATOM 0 H ARG A 74 -4.594 -0.623 -8.498 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.340 -1.117 -11.290 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.548 0.924 -10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.341 -0.053 -9.242 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.316 -0.661 -11.426 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.564 0.221 -12.283 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.847 2.320 -10.996 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.497 1.400 -10.362 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.465 1.073 -13.194 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.146 3.563 -10.733 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.935 4.564 -11.707 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.918 2.372 -14.429 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.531 3.897 -13.780 1.00 0.00 H new ATOM 1109 N LYS A 75 -2.487 -2.869 -9.195 1.00 0.00 N ATOM 1110 CA LYS A 75 -1.659 -4.062 -9.078 1.00 0.00 C ATOM 1111 C LYS A 75 -2.445 -5.302 -9.503 1.00 0.00 C ATOM 1112 O LYS A 75 -1.948 -6.146 -10.249 1.00 0.00 O ATOM 1113 CB LYS A 75 -1.207 -4.212 -7.624 1.00 0.00 C ATOM 1114 CG LYS A 75 -0.246 -5.398 -7.467 1.00 0.00 C ATOM 1115 CD LYS A 75 1.059 -5.130 -8.235 1.00 0.00 C ATOM 1116 CE LYS A 75 2.173 -6.020 -7.681 1.00 0.00 C ATOM 1117 NZ LYS A 75 3.387 -5.862 -8.524 1.00 0.00 N ATOM 0 H LYS A 75 -2.684 -2.401 -8.311 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.791 -3.962 -9.730 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.716 -3.296 -7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.076 -4.356 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.028 -5.562 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.716 -6.308 -7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.915 -5.329 -9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.338 -4.080 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.394 -5.747 -6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.853 -7.062 -7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.149 -6.465 -8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.170 -6.142 -9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.693 -4.868 -8.509 1.00 0.00 H new ATOM 1131 N MET A 76 -3.673 -5.396 -9.009 1.00 0.00 N ATOM 1132 CA MET A 76 -4.548 -6.527 -9.311 1.00 0.00 C ATOM 1133 C MET A 76 -4.982 -6.498 -10.777 1.00 0.00 C ATOM 1134 O MET A 76 -5.648 -7.414 -11.261 1.00 0.00 O ATOM 1135 CB MET A 76 -5.776 -6.459 -8.397 1.00 0.00 C ATOM 1136 CG MET A 76 -6.477 -7.822 -8.334 1.00 0.00 C ATOM 1137 SD MET A 76 -5.427 -8.998 -7.436 1.00 0.00 S ATOM 1138 CE MET A 76 -6.583 -9.404 -6.102 1.00 0.00 C ATOM 0 H MET A 76 -4.090 -4.698 -8.393 1.00 0.00 H new ATOM 0 HA MET A 76 -4.007 -7.457 -9.138 1.00 0.00 H new ATOM 0 HB2 MET A 76 -5.474 -6.152 -7.395 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.470 -5.704 -8.766 1.00 0.00 H new ATOM 0 HG2 MET A 76 -7.442 -7.725 -7.836 1.00 0.00 H new ATOM 0 HG3 MET A 76 -6.674 -8.189 -9.341 1.00 0.00 H new ATOM 0 HE1 MET A 76 -6.080 -10.027 -5.362 1.00 0.00 H new ATOM 0 HE2 MET A 76 -6.929 -8.485 -5.628 1.00 0.00 H new ATOM 0 HE3 MET A 76 -7.436 -9.945 -6.512 1.00 0.00 H new ATOM 1148 N LYS A 77 -4.601 -5.437 -11.476 1.00 0.00 N ATOM 1149 CA LYS A 77 -4.957 -5.287 -12.883 1.00 0.00 C ATOM 1150 C LYS A 77 -4.055 -6.136 -13.774 1.00 0.00 C ATOM 1151 O LYS A 77 -4.310 -6.288 -14.968 1.00 0.00 O ATOM 1152 CB LYS A 77 -4.827 -3.811 -13.286 1.00 0.00 C ATOM 1153 CG LYS A 77 -5.644 -3.525 -14.559 1.00 0.00 C ATOM 1154 CD LYS A 77 -7.091 -3.189 -14.182 1.00 0.00 C ATOM 1155 CE LYS A 77 -7.903 -2.900 -15.445 1.00 0.00 C ATOM 1156 NZ LYS A 77 -9.307 -2.596 -15.058 1.00 0.00 N ATOM 0 H LYS A 77 -4.048 -4.670 -11.095 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.985 -5.625 -13.015 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.175 -3.174 -12.473 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.779 -3.566 -13.457 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.200 -2.695 -15.109 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.622 -4.392 -15.219 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.536 -4.020 -13.635 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.112 -2.324 -13.519 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.471 -2.058 -15.986 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.875 -3.759 -16.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.867 -2.398 -15.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.714 -3.412 -14.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.323 -1.765 -14.433 1.00 0.00 H new ATOM 1170 N ASP A 78 -2.992 -6.681 -13.190 1.00 0.00 N ATOM 1171 CA ASP A 78 -2.050 -7.502 -13.942 1.00 0.00 C ATOM 1172 C ASP A 78 -2.771 -8.410 -14.936 1.00 0.00 C ATOM 1173 O ASP A 78 -2.619 -8.260 -16.149 1.00 0.00 O ATOM 1174 CB ASP A 78 -1.237 -8.356 -12.970 1.00 0.00 C ATOM 1175 CG ASP A 78 -2.174 -9.106 -12.032 1.00 0.00 C ATOM 1176 OD1 ASP A 78 -3.358 -8.809 -12.053 1.00 0.00 O ATOM 1177 OD2 ASP A 78 -1.696 -9.961 -11.307 1.00 0.00 O ATOM 0 H ASP A 78 -2.762 -6.569 -12.202 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.392 -6.839 -14.504 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.619 -9.063 -13.523 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.561 -7.724 -12.394 1.00 0.00 H new ATOM 1182 N THR A 79 -3.546 -9.352 -14.416 1.00 0.00 N ATOM 1183 CA THR A 79 -4.274 -10.283 -15.265 1.00 0.00 C ATOM 1184 C THR A 79 -5.325 -11.032 -14.455 1.00 0.00 C ATOM 1185 O THR A 79 -5.546 -10.655 -13.316 1.00 0.00 O ATOM 1186 CB THR A 79 -3.301 -11.282 -15.896 1.00 0.00 C ATOM 1187 OG1 THR A 79 -4.012 -12.165 -16.752 1.00 0.00 O ATOM 1188 CG2 THR A 79 -2.607 -12.085 -14.793 1.00 0.00 C ATOM 1189 OXT THR A 79 -5.893 -11.975 -14.983 1.00 0.00 O ATOM 0 H THR A 79 -3.686 -9.491 -13.415 1.00 0.00 H new ATOM 0 HA THR A 79 -4.774 -9.718 -16.052 1.00 0.00 H new ATOM 0 HB THR A 79 -2.553 -10.742 -16.477 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.954 -12.193 -16.484 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.914 -12.797 -15.242 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.058 -11.407 -14.140 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.354 -12.624 -14.211 1.00 0.00 H new TER 1197 THR A 79 HETATM 1198 CA CA A 179 1.781 6.084 10.430 1.00 0.00 CA HETATM 1199 CA CA A 192 -0.008 9.943 -0.739 1.00 0.00 CA