USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 691 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 48 ASN : amide:sc= -1.34! C(o=-1.3!,f=-10!) USER MOD Set 1.2: A 50 MET CE :methyl 165:sc= 0 (180deg=0) USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= -0.242 USER MOD Set 2.2: A 29 SER OG : rot 171:sc= -0.451 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.119 (180deg=-0.813) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0169 (180deg=-0.29) USER MOD Single : A 12 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.54) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 17 SER OG : rot 180:sc= -0.54 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 23 SER OG : rot 28:sc= 0.521 USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.919 USER MOD Single : A 32 SER OG : rot 112:sc= 1.27 USER MOD Single : A 34 GLN : amide:sc= -3.25! C(o=-3.3!,f=-4.5!) USER MOD Single : A 46 GLN : amide:sc= -2.17! C(o=-2.2!,f=-2.5!) USER MOD Single : A 51 ASN : amide:sc= -2.37 K(o=-2.4,f=-7.8!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 59 THR OG1 : rot 16:sc= -1.51! USER MOD Single : A 61 HIS : no HE2:sc= -0.471 K(o=-0.47,f=-2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.663 USER MOD Single : A 66 HIS : no HD1:sc= -1.62! C(o=-1.6!,f=-2.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 75 THR OG1 : rot 47:sc= 0.773 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0046 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 82 THR OG1 : rot 160:sc= -0.482 USER MOD Single : A 83 CYS SG : rot 180:sc= -0.0496 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 135:sc= 0.00869 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.396 -7.372 16.384 1.00 0.00 N ATOM 2 CA MET A 1 52.232 -8.416 17.044 1.00 0.00 C ATOM 3 C MET A 1 53.220 -8.987 16.030 1.00 0.00 C ATOM 4 O MET A 1 52.838 -9.747 15.141 1.00 0.00 O ATOM 5 CB MET A 1 51.324 -9.533 17.568 1.00 0.00 C ATOM 6 CG MET A 1 50.457 -9.000 18.711 1.00 0.00 C ATOM 7 SD MET A 1 49.425 -10.341 19.358 1.00 0.00 S ATOM 8 CE MET A 1 48.313 -10.525 17.937 1.00 0.00 C ATOM 0 H1 MET A 1 50.921 -6.798 17.109 1.00 0.00 H new ATOM 0 H2 MET A 1 52.001 -6.760 15.800 1.00 0.00 H new ATOM 0 H3 MET A 1 50.682 -7.829 15.781 1.00 0.00 H new ATOM 0 HA MET A 1 52.783 -7.977 17.876 1.00 0.00 H new ATOM 0 HB2 MET A 1 50.691 -9.908 16.763 1.00 0.00 H new ATOM 0 HB3 MET A 1 51.927 -10.371 17.917 1.00 0.00 H new ATOM 0 HG2 MET A 1 51.088 -8.597 19.503 1.00 0.00 H new ATOM 0 HG3 MET A 1 49.830 -8.182 18.356 1.00 0.00 H new ATOM 0 HE1 MET A 1 47.373 -10.969 18.265 1.00 0.00 H new ATOM 0 HE2 MET A 1 48.118 -9.546 17.498 1.00 0.00 H new ATOM 0 HE3 MET A 1 48.778 -11.170 17.192 1.00 0.00 H new ATOM 20 N ALA A 2 54.492 -8.617 16.169 1.00 0.00 N ATOM 21 CA ALA A 2 55.521 -9.103 15.253 1.00 0.00 C ATOM 22 C ALA A 2 56.921 -8.755 15.767 1.00 0.00 C ATOM 23 O ALA A 2 57.535 -7.793 15.307 1.00 0.00 O ATOM 24 CB ALA A 2 55.317 -8.475 13.873 1.00 0.00 C ATOM 0 H ALA A 2 54.832 -7.990 16.898 1.00 0.00 H new ATOM 0 HA ALA A 2 55.436 -10.188 15.185 1.00 0.00 H new ATOM 0 HB1 ALA A 2 56.085 -8.838 13.191 1.00 0.00 H new ATOM 0 HB2 ALA A 2 54.333 -8.748 13.491 1.00 0.00 H new ATOM 0 HB3 ALA A 2 55.387 -7.390 13.953 1.00 0.00 H new ATOM 30 N PRO A 3 57.431 -9.515 16.704 1.00 0.00 N ATOM 31 CA PRO A 3 58.785 -9.273 17.279 1.00 0.00 C ATOM 32 C PRO A 3 59.897 -9.575 16.271 1.00 0.00 C ATOM 33 O PRO A 3 61.015 -9.075 16.397 1.00 0.00 O ATOM 34 CB PRO A 3 58.860 -10.193 18.523 1.00 0.00 C ATOM 35 CG PRO A 3 57.535 -10.916 18.617 1.00 0.00 C ATOM 36 CD PRO A 3 56.779 -10.685 17.300 1.00 0.00 C ATOM 0 HA PRO A 3 58.932 -8.226 17.544 1.00 0.00 H new ATOM 0 HB2 PRO A 3 59.681 -10.903 18.429 1.00 0.00 H new ATOM 0 HB3 PRO A 3 59.046 -9.609 19.424 1.00 0.00 H new ATOM 0 HG2 PRO A 3 57.692 -11.981 18.785 1.00 0.00 H new ATOM 0 HG3 PRO A 3 56.955 -10.542 19.461 1.00 0.00 H new ATOM 0 HD2 PRO A 3 56.847 -11.554 16.645 1.00 0.00 H new ATOM 0 HD3 PRO A 3 55.719 -10.502 17.477 1.00 0.00 H new ATOM 44 N GLU A 4 59.580 -10.395 15.276 1.00 0.00 N ATOM 45 CA GLU A 4 60.557 -10.756 14.256 1.00 0.00 C ATOM 46 C GLU A 4 60.785 -9.590 13.297 1.00 0.00 C ATOM 47 O GLU A 4 59.923 -8.729 13.129 1.00 0.00 O ATOM 48 CB GLU A 4 60.070 -11.983 13.483 1.00 0.00 C ATOM 49 CG GLU A 4 61.128 -12.413 12.462 1.00 0.00 C ATOM 50 CD GLU A 4 60.696 -13.706 11.781 1.00 0.00 C ATOM 51 OE1 GLU A 4 61.517 -14.293 11.095 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.555 -14.094 11.961 1.00 0.00 O1- ATOM 0 H GLU A 4 58.661 -10.820 15.154 1.00 0.00 H new ATOM 0 HA GLU A 4 61.502 -10.992 14.745 1.00 0.00 H new ATOM 0 HB2 GLU A 4 59.866 -12.801 14.174 1.00 0.00 H new ATOM 0 HB3 GLU A 4 59.134 -11.754 12.974 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.268 -11.629 11.718 1.00 0.00 H new ATOM 0 HG3 GLU A 4 62.088 -12.556 12.958 1.00 0.00 H new ATOM 59 N VAL A 5 61.958 -9.571 12.675 1.00 0.00 N ATOM 60 CA VAL A 5 62.306 -8.513 11.736 1.00 0.00 C ATOM 61 C VAL A 5 61.350 -8.509 10.545 1.00 0.00 C ATOM 62 O VAL A 5 61.090 -9.556 9.953 1.00 0.00 O ATOM 63 CB VAL A 5 63.734 -8.736 11.231 1.00 0.00 C ATOM 64 CG1 VAL A 5 63.772 -9.958 10.305 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.197 -7.495 10.467 1.00 0.00 C ATOM 0 H VAL A 5 62.684 -10.276 12.804 1.00 0.00 H new ATOM 0 HA VAL A 5 62.231 -7.554 12.249 1.00 0.00 H new ATOM 0 HB VAL A 5 64.397 -8.912 12.078 1.00 0.00 H new ATOM 0 HG11 VAL A 5 64.790 -10.113 9.948 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.442 -10.840 10.853 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.111 -9.791 9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.214 -7.649 10.105 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.533 -7.320 9.620 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.175 -6.630 11.130 1.00 0.00 H new ATOM 75 N THR A 6 60.837 -7.328 10.185 1.00 0.00 N ATOM 76 CA THR A 6 59.916 -7.221 9.037 1.00 0.00 C ATOM 77 C THR A 6 60.593 -6.460 7.898 1.00 0.00 C ATOM 78 O THR A 6 61.017 -5.324 8.077 1.00 0.00 O ATOM 79 CB THR A 6 58.627 -6.493 9.465 1.00 0.00 C ATOM 80 OG1 THR A 6 58.345 -6.799 10.823 1.00 0.00 O ATOM 81 CG2 THR A 6 57.451 -6.939 8.588 1.00 0.00 C ATOM 0 H THR A 6 61.035 -6.446 10.658 1.00 0.00 H new ATOM 0 HA THR A 6 59.659 -8.222 8.691 1.00 0.00 H new ATOM 0 HB THR A 6 58.769 -5.419 9.348 1.00 0.00 H new ATOM 0 HG1 THR A 6 57.527 -6.336 11.099 1.00 0.00 H new ATOM 0 HG21 THR A 6 56.546 -6.418 8.900 1.00 0.00 H new ATOM 0 HG22 THR A 6 57.664 -6.703 7.546 1.00 0.00 H new ATOM 0 HG23 THR A 6 57.305 -8.014 8.694 1.00 0.00 H new ATOM 89 N ILE A 7 60.702 -7.088 6.722 1.00 0.00 N ATOM 90 CA ILE A 7 61.346 -6.434 5.578 1.00 0.00 C ATOM 91 C ILE A 7 60.329 -5.969 4.547 1.00 0.00 C ATOM 92 O ILE A 7 59.610 -6.764 3.942 1.00 0.00 O ATOM 93 CB ILE A 7 62.334 -7.381 4.907 1.00 0.00 C ATOM 94 CG1 ILE A 7 63.380 -7.826 5.929 1.00 0.00 C ATOM 95 CG2 ILE A 7 63.032 -6.646 3.758 1.00 0.00 C ATOM 96 CD1 ILE A 7 64.219 -8.959 5.339 1.00 0.00 C ATOM 0 H ILE A 7 60.359 -8.031 6.539 1.00 0.00 H new ATOM 0 HA ILE A 7 61.872 -5.562 5.965 1.00 0.00 H new ATOM 0 HB ILE A 7 61.805 -8.252 4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 7 64.021 -6.987 6.198 1.00 0.00 H new ATOM 0 HG13 ILE A 7 62.891 -8.160 6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 7 63.740 -7.318 3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 7 62.289 -6.317 3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 7 63.564 -5.779 4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.965 -9.277 6.067 1.00 0.00 H new ATOM 0 HD12 ILE A 7 63.572 -9.800 5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 7 64.719 -8.609 4.436 1.00 0.00 H new ATOM 108 N LEU A 8 60.316 -4.661 4.340 1.00 0.00 N ATOM 109 CA LEU A 8 59.435 -4.018 3.364 1.00 0.00 C ATOM 110 C LEU A 8 60.295 -3.146 2.453 1.00 0.00 C ATOM 111 O LEU A 8 60.344 -1.926 2.611 1.00 0.00 O ATOM 112 CB LEU A 8 58.393 -3.150 4.081 1.00 0.00 C ATOM 113 CG LEU A 8 57.429 -4.027 4.898 1.00 0.00 C ATOM 114 CD1 LEU A 8 56.552 -3.128 5.780 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.531 -4.858 3.962 1.00 0.00 C ATOM 0 H LEU A 8 60.917 -4.009 4.844 1.00 0.00 H new ATOM 0 HA LEU A 8 58.908 -4.774 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 8 58.894 -2.440 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.832 -2.567 3.350 1.00 0.00 H new ATOM 0 HG LEU A 8 58.011 -4.707 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.867 -3.745 6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.185 -2.553 6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.981 -2.446 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.855 -5.473 4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.949 -4.189 3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.152 -5.501 3.338 1.00 0.00 H new ATOM 127 N GLU A 9 61.009 -3.793 1.532 1.00 0.00 N ATOM 128 CA GLU A 9 61.921 -3.094 0.620 1.00 0.00 C ATOM 129 C GLU A 9 61.463 -3.197 -0.841 1.00 0.00 C ATOM 130 O GLU A 9 61.828 -4.147 -1.532 1.00 0.00 O ATOM 131 CB GLU A 9 63.304 -3.732 0.753 1.00 0.00 C ATOM 132 CG GLU A 9 64.291 -3.043 -0.188 1.00 0.00 C ATOM 133 CD GLU A 9 65.719 -3.416 0.198 1.00 0.00 C ATOM 134 OE1 GLU A 9 66.557 -2.531 0.219 1.00 0.00 O ATOM 135 OE2 GLU A 9 65.952 -4.583 0.472 1.00 0.00 O1- ATOM 0 H GLU A 9 60.975 -4.803 1.396 1.00 0.00 H new ATOM 0 HA GLU A 9 61.938 -2.037 0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.653 -3.651 1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.247 -4.795 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 9 64.094 -3.340 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 9 64.161 -1.962 -0.138 1.00 0.00 H new ATOM 142 N PRO A 10 60.702 -2.243 -1.340 1.00 0.00 N ATOM 143 CA PRO A 10 60.243 -2.258 -2.758 1.00 0.00 C ATOM 144 C PRO A 10 61.380 -1.870 -3.708 1.00 0.00 C ATOM 145 O PRO A 10 61.233 -1.933 -4.929 1.00 0.00 O ATOM 146 CB PRO A 10 59.079 -1.236 -2.810 1.00 0.00 C ATOM 147 CG PRO A 10 58.933 -0.675 -1.416 1.00 0.00 C ATOM 148 CD PRO A 10 60.194 -1.060 -0.632 1.00 0.00 C ATOM 0 HA PRO A 10 59.922 -3.249 -3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 10 59.292 -0.443 -3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 10 58.156 -1.717 -3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 10 58.817 0.408 -1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 10 58.043 -1.076 -0.932 1.00 0.00 H new ATOM 0 HD2 PRO A 10 60.925 -0.252 -0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 10 59.964 -1.286 0.409 1.00 0.00 H new ATOM 156 N LEU A 11 62.507 -1.462 -3.130 1.00 0.00 N ATOM 157 CA LEU A 11 63.664 -1.058 -3.923 1.00 0.00 C ATOM 158 C LEU A 11 64.148 -2.225 -4.782 1.00 0.00 C ATOM 159 O LEU A 11 65.188 -2.820 -4.505 1.00 0.00 O ATOM 160 CB LEU A 11 64.796 -0.615 -2.982 1.00 0.00 C ATOM 161 CG LEU A 11 64.393 0.659 -2.217 1.00 0.00 C ATOM 162 CD1 LEU A 11 65.355 0.872 -1.041 1.00 0.00 C ATOM 163 CD2 LEU A 11 64.463 1.888 -3.140 1.00 0.00 C ATOM 0 H LEU A 11 62.643 -1.403 -2.121 1.00 0.00 H new ATOM 0 HA LEU A 11 63.378 -0.232 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 11 65.024 -1.414 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.703 -0.430 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 11 63.372 0.539 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.072 1.774 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.306 0.014 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.372 0.980 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.175 2.779 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 11 65.481 2.006 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 11 63.783 1.751 -3.981 1.00 0.00 H new ATOM 175 N GLN A 12 63.380 -2.553 -5.820 1.00 0.00 N ATOM 176 CA GLN A 12 63.737 -3.660 -6.703 1.00 0.00 C ATOM 177 C GLN A 12 64.887 -3.274 -7.633 1.00 0.00 C ATOM 178 O GLN A 12 65.967 -3.862 -7.566 1.00 0.00 O ATOM 179 CB GLN A 12 62.511 -4.089 -7.524 1.00 0.00 C ATOM 180 CG GLN A 12 62.857 -5.299 -8.404 1.00 0.00 C ATOM 181 CD GLN A 12 63.237 -6.492 -7.534 1.00 0.00 C ATOM 182 OE1 GLN A 12 62.582 -6.762 -6.528 1.00 0.00 O ATOM 183 NE2 GLN A 12 64.267 -7.223 -7.861 1.00 0.00 N ATOM 0 H GLN A 12 62.515 -2.073 -6.068 1.00 0.00 H new ATOM 0 HA GLN A 12 64.069 -4.496 -6.088 1.00 0.00 H new ATOM 0 HB2 GLN A 12 61.687 -4.340 -6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 12 62.175 -3.261 -8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 12 62.005 -5.556 -9.033 1.00 0.00 H new ATOM 0 HG3 GLN A 12 63.682 -5.049 -9.071 1.00 0.00 H new ATOM 0 HE21 GLN A 12 64.808 -6.997 -8.695 1.00 0.00 H new ATOM 0 HE22 GLN A 12 64.531 -8.020 -7.282 1.00 0.00 H new ATOM 192 N ASP A 13 64.654 -2.299 -8.510 1.00 0.00 N ATOM 193 CA ASP A 13 65.698 -1.878 -9.446 1.00 0.00 C ATOM 194 C ASP A 13 65.303 -0.603 -10.188 1.00 0.00 C ATOM 195 O ASP A 13 64.182 -0.484 -10.683 1.00 0.00 O ATOM 196 CB ASP A 13 65.964 -2.995 -10.456 1.00 0.00 C ATOM 197 CG ASP A 13 64.678 -3.361 -11.190 1.00 0.00 C ATOM 198 OD1 ASP A 13 63.623 -2.946 -10.740 1.00 0.00 O ATOM 199 OD2 ASP A 13 64.767 -4.054 -12.190 1.00 0.00 O1- ATOM 0 H ASP A 13 63.772 -1.794 -8.593 1.00 0.00 H new ATOM 0 HA ASP A 13 66.601 -1.671 -8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 13 66.721 -2.675 -11.172 1.00 0.00 H new ATOM 0 HB3 ASP A 13 66.360 -3.871 -9.943 1.00 0.00 H new ATOM 204 N VAL A 14 66.238 0.352 -10.266 1.00 0.00 N ATOM 205 CA VAL A 14 65.980 1.622 -10.959 1.00 0.00 C ATOM 206 C VAL A 14 67.156 1.996 -11.863 1.00 0.00 C ATOM 207 O VAL A 14 68.271 1.510 -11.677 1.00 0.00 O ATOM 208 CB VAL A 14 65.751 2.740 -9.936 1.00 0.00 C ATOM 209 CG1 VAL A 14 64.515 2.420 -9.092 1.00 0.00 C ATOM 210 CG2 VAL A 14 66.974 2.855 -9.024 1.00 0.00 C ATOM 0 H VAL A 14 67.171 0.272 -9.862 1.00 0.00 H new ATOM 0 HA VAL A 14 65.088 1.499 -11.574 1.00 0.00 H new ATOM 0 HB VAL A 14 65.597 3.683 -10.460 1.00 0.00 H new ATOM 0 HG11 VAL A 14 64.354 3.216 -8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 14 63.643 2.339 -9.740 1.00 0.00 H new ATOM 0 HG13 VAL A 14 64.666 1.476 -8.568 1.00 0.00 H new ATOM 0 HG21 VAL A 14 66.812 3.650 -8.296 1.00 0.00 H new ATOM 0 HG22 VAL A 14 67.128 1.911 -8.502 1.00 0.00 H new ATOM 0 HG23 VAL A 14 67.854 3.086 -9.624 1.00 0.00 H new ATOM 220 N GLN A 15 66.895 2.869 -12.842 1.00 0.00 N ATOM 221 CA GLN A 15 67.936 3.317 -13.778 1.00 0.00 C ATOM 222 C GLN A 15 67.856 4.832 -13.979 1.00 0.00 C ATOM 223 O GLN A 15 66.854 5.354 -14.462 1.00 0.00 O ATOM 224 CB GLN A 15 67.778 2.601 -15.127 1.00 0.00 C ATOM 225 CG GLN A 15 66.301 2.557 -15.531 1.00 0.00 C ATOM 226 CD GLN A 15 66.151 1.826 -16.860 1.00 0.00 C ATOM 227 OE1 GLN A 15 66.948 0.943 -17.176 1.00 0.00 O ATOM 228 NE2 GLN A 15 65.170 2.140 -17.661 1.00 0.00 N ATOM 0 H GLN A 15 65.976 3.279 -13.008 1.00 0.00 H new ATOM 0 HA GLN A 15 68.911 3.070 -13.357 1.00 0.00 H new ATOM 0 HB2 GLN A 15 68.357 3.119 -15.892 1.00 0.00 H new ATOM 0 HB3 GLN A 15 68.174 1.588 -15.058 1.00 0.00 H new ATOM 0 HG2 GLN A 15 65.719 2.052 -14.760 1.00 0.00 H new ATOM 0 HG3 GLN A 15 65.907 3.570 -15.616 1.00 0.00 H new ATOM 0 HE21 GLN A 15 64.511 2.872 -17.397 1.00 0.00 H new ATOM 0 HE22 GLN A 15 65.063 1.653 -18.551 1.00 0.00 H new ATOM 237 N LEU A 16 68.921 5.535 -13.585 1.00 0.00 N ATOM 238 CA LEU A 16 68.972 6.999 -13.702 1.00 0.00 C ATOM 239 C LEU A 16 70.150 7.450 -14.567 1.00 0.00 C ATOM 240 O LEU A 16 71.278 6.998 -14.382 1.00 0.00 O ATOM 241 CB LEU A 16 69.111 7.596 -12.305 1.00 0.00 C ATOM 242 CG LEU A 16 67.915 7.170 -11.446 1.00 0.00 C ATOM 243 CD1 LEU A 16 68.143 7.637 -10.010 1.00 0.00 C ATOM 244 CD2 LEU A 16 66.614 7.790 -11.997 1.00 0.00 C ATOM 0 H LEU A 16 69.760 5.117 -13.182 1.00 0.00 H new ATOM 0 HA LEU A 16 68.054 7.343 -14.179 1.00 0.00 H new ATOM 0 HB2 LEU A 16 70.041 7.260 -11.845 1.00 0.00 H new ATOM 0 HB3 LEU A 16 69.160 8.683 -12.366 1.00 0.00 H new ATOM 0 HG LEU A 16 67.820 6.084 -11.471 1.00 0.00 H new ATOM 0 HD11 LEU A 16 67.297 7.338 -9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 16 69.055 7.184 -9.621 1.00 0.00 H new ATOM 0 HD13 LEU A 16 68.240 8.722 -9.992 1.00 0.00 H new ATOM 0 HD21 LEU A 16 65.772 7.480 -11.378 1.00 0.00 H new ATOM 0 HD22 LEU A 16 66.694 8.877 -11.982 1.00 0.00 H new ATOM 0 HD23 LEU A 16 66.455 7.452 -13.021 1.00 0.00 H new ATOM 256 N SER A 17 69.881 8.356 -15.504 1.00 0.00 N ATOM 257 CA SER A 17 70.932 8.864 -16.385 1.00 0.00 C ATOM 258 C SER A 17 71.911 9.742 -15.611 1.00 0.00 C ATOM 259 O SER A 17 71.587 10.262 -14.543 1.00 0.00 O ATOM 260 CB SER A 17 70.320 9.679 -17.526 1.00 0.00 C ATOM 261 OG SER A 17 69.277 8.935 -18.137 1.00 0.00 O ATOM 0 H SER A 17 68.956 8.750 -15.673 1.00 0.00 H new ATOM 0 HA SER A 17 71.469 8.008 -16.794 1.00 0.00 H new ATOM 0 HB2 SER A 17 69.931 10.623 -17.144 1.00 0.00 H new ATOM 0 HB3 SER A 17 71.085 9.924 -18.263 1.00 0.00 H new ATOM 0 HG SER A 17 68.885 9.459 -18.866 1.00 0.00 H new ATOM 267 N GLU A 18 73.113 9.899 -16.159 1.00 0.00 N ATOM 268 CA GLU A 18 74.142 10.711 -15.518 1.00 0.00 C ATOM 269 C GLU A 18 73.650 12.139 -15.316 1.00 0.00 C ATOM 270 O GLU A 18 72.894 12.673 -16.129 1.00 0.00 O ATOM 271 CB GLU A 18 75.410 10.716 -16.379 1.00 0.00 C ATOM 272 CG GLU A 18 76.518 11.530 -15.693 1.00 0.00 C ATOM 273 CD GLU A 18 76.910 10.877 -14.372 1.00 0.00 C ATOM 274 OE1 GLU A 18 76.655 9.693 -14.219 1.00 0.00 O ATOM 275 OE2 GLU A 18 77.460 11.570 -13.532 1.00 0.00 O1- ATOM 0 H GLU A 18 73.397 9.476 -17.043 1.00 0.00 H new ATOM 0 HA GLU A 18 74.367 10.280 -14.543 1.00 0.00 H new ATOM 0 HB2 GLU A 18 75.750 9.693 -16.544 1.00 0.00 H new ATOM 0 HB3 GLU A 18 75.191 11.141 -17.359 1.00 0.00 H new ATOM 0 HG2 GLU A 18 77.388 11.597 -16.346 1.00 0.00 H new ATOM 0 HG3 GLU A 18 76.174 12.549 -15.515 1.00 0.00 H new ATOM 282 N GLY A 19 74.096 12.755 -14.226 1.00 0.00 N ATOM 283 CA GLY A 19 73.711 14.131 -13.913 1.00 0.00 C ATOM 284 C GLY A 19 72.426 14.179 -13.091 1.00 0.00 C ATOM 285 O GLY A 19 71.942 15.257 -12.750 1.00 0.00 O ATOM 0 H GLY A 19 74.723 12.327 -13.545 1.00 0.00 H new ATOM 0 HA2 GLY A 19 74.515 14.619 -13.362 1.00 0.00 H new ATOM 0 HA3 GLY A 19 73.574 14.691 -14.838 1.00 0.00 H new ATOM 289 N GLN A 20 71.878 13.006 -12.771 1.00 0.00 N ATOM 290 CA GLN A 20 70.644 12.929 -11.983 1.00 0.00 C ATOM 291 C GLN A 20 70.931 12.379 -10.592 1.00 0.00 C ATOM 292 O GLN A 20 71.809 11.535 -10.415 1.00 0.00 O ATOM 293 CB GLN A 20 69.629 12.023 -12.683 1.00 0.00 C ATOM 294 CG GLN A 20 69.176 12.676 -13.989 1.00 0.00 C ATOM 295 CD GLN A 20 68.181 11.768 -14.706 1.00 0.00 C ATOM 296 OE1 GLN A 20 67.785 10.735 -14.168 1.00 0.00 O ATOM 297 NE2 GLN A 20 67.754 12.094 -15.894 1.00 0.00 N ATOM 0 H GLN A 20 72.264 12.102 -13.042 1.00 0.00 H new ATOM 0 HA GLN A 20 70.234 13.935 -11.892 1.00 0.00 H new ATOM 0 HB2 GLN A 20 70.075 11.049 -12.887 1.00 0.00 H new ATOM 0 HB3 GLN A 20 68.771 11.851 -12.033 1.00 0.00 H new ATOM 0 HG2 GLN A 20 68.716 13.642 -13.782 1.00 0.00 H new ATOM 0 HG3 GLN A 20 70.038 12.864 -14.630 1.00 0.00 H new ATOM 0 HE21 GLN A 20 68.084 12.951 -16.337 1.00 0.00 H new ATOM 0 HE22 GLN A 20 67.090 11.492 -16.380 1.00 0.00 H new ATOM 306 N ASP A 21 70.177 12.860 -9.610 1.00 0.00 N ATOM 307 CA ASP A 21 70.347 12.405 -8.235 1.00 0.00 C ATOM 308 C ASP A 21 69.599 11.094 -8.022 1.00 0.00 C ATOM 309 O ASP A 21 68.832 10.664 -8.880 1.00 0.00 O ATOM 310 CB ASP A 21 69.813 13.462 -7.267 1.00 0.00 C ATOM 311 CG ASP A 21 68.330 13.699 -7.525 1.00 0.00 C ATOM 312 OD1 ASP A 21 67.730 14.449 -6.774 1.00 0.00 O ATOM 313 OD2 ASP A 21 67.815 13.124 -8.470 1.00 0.00 O1- ATOM 0 H ASP A 21 69.447 13.560 -9.739 1.00 0.00 H new ATOM 0 HA ASP A 21 71.409 12.246 -8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.964 13.135 -6.238 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.366 14.393 -7.390 1.00 0.00 H new ATOM 318 N ALA A 22 69.825 10.464 -6.873 1.00 0.00 N ATOM 319 CA ALA A 22 69.165 9.199 -6.556 1.00 0.00 C ATOM 320 C ALA A 22 68.933 9.089 -5.052 1.00 0.00 C ATOM 321 O ALA A 22 69.669 9.676 -4.258 1.00 0.00 O ATOM 322 CB ALA A 22 70.027 8.027 -7.040 1.00 0.00 C ATOM 0 H ALA A 22 70.457 10.805 -6.148 1.00 0.00 H new ATOM 0 HA ALA A 22 68.201 9.167 -7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 22 69.530 7.087 -6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 22 70.167 8.099 -8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 22 70.998 8.060 -6.545 1.00 0.00 H new ATOM 328 N SER A 23 67.901 8.343 -4.662 1.00 0.00 N ATOM 329 CA SER A 23 67.581 8.178 -3.246 1.00 0.00 C ATOM 330 C SER A 23 66.887 6.843 -2.993 1.00 0.00 C ATOM 331 O SER A 23 65.842 6.550 -3.574 1.00 0.00 O ATOM 332 CB SER A 23 66.671 9.318 -2.790 1.00 0.00 C ATOM 333 OG SER A 23 65.438 9.243 -3.493 1.00 0.00 O ATOM 0 H SER A 23 67.278 7.848 -5.300 1.00 0.00 H new ATOM 0 HA SER A 23 68.512 8.196 -2.680 1.00 0.00 H new ATOM 0 HB2 SER A 23 66.496 9.252 -1.716 1.00 0.00 H new ATOM 0 HB3 SER A 23 67.151 10.279 -2.976 1.00 0.00 H new ATOM 0 HG SER A 23 65.258 8.312 -3.740 1.00 0.00 H new ATOM 339 N PHE A 24 67.476 6.041 -2.107 1.00 0.00 N ATOM 340 CA PHE A 24 66.917 4.732 -1.753 1.00 0.00 C ATOM 341 C PHE A 24 66.246 4.819 -0.385 1.00 0.00 C ATOM 342 O PHE A 24 66.891 5.123 0.608 1.00 0.00 O ATOM 343 CB PHE A 24 68.043 3.669 -1.710 1.00 0.00 C ATOM 344 CG PHE A 24 68.222 3.016 -3.067 1.00 0.00 C ATOM 345 CD1 PHE A 24 68.458 1.638 -3.148 1.00 0.00 C ATOM 346 CD2 PHE A 24 68.148 3.780 -4.238 1.00 0.00 C ATOM 347 CE1 PHE A 24 68.613 1.024 -4.394 1.00 0.00 C ATOM 348 CE2 PHE A 24 68.305 3.164 -5.484 1.00 0.00 C ATOM 349 CZ PHE A 24 68.540 1.788 -5.563 1.00 0.00 C ATOM 0 H PHE A 24 68.341 6.273 -1.619 1.00 0.00 H new ATOM 0 HA PHE A 24 66.182 4.442 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.978 4.136 -1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 24 67.804 2.910 -0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 24 68.520 1.048 -2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 24 67.970 4.844 -4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 24 68.789 -0.040 -4.454 1.00 0.00 H new ATOM 0 HE2 PHE A 24 68.245 3.753 -6.387 1.00 0.00 H new ATOM 0 HZ PHE A 24 68.665 1.316 -6.526 1.00 0.00 H new ATOM 359 N GLN A 25 64.947 4.546 -0.339 1.00 0.00 N ATOM 360 CA GLN A 25 64.203 4.594 0.921 1.00 0.00 C ATOM 361 C GLN A 25 63.369 3.329 1.081 1.00 0.00 C ATOM 362 O GLN A 25 62.704 2.887 0.145 1.00 0.00 O ATOM 363 CB GLN A 25 63.301 5.835 0.949 1.00 0.00 C ATOM 364 CG GLN A 25 62.272 5.763 -0.182 1.00 0.00 C ATOM 365 CD GLN A 25 61.449 7.048 -0.217 1.00 0.00 C ATOM 366 OE1 GLN A 25 61.223 7.696 0.892 1.00 0.00 O flip ATOM 367 NE2 GLN A 25 61.000 7.471 -1.283 1.00 0.00 N flip ATOM 0 H GLN A 25 64.387 4.290 -1.152 1.00 0.00 H new ATOM 0 HA GLN A 25 64.908 4.655 1.750 1.00 0.00 H new ATOM 0 HB2 GLN A 25 62.792 5.903 1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 25 63.905 6.736 0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 25 62.777 5.618 -1.137 1.00 0.00 H new ATOM 0 HG3 GLN A 25 61.616 4.905 -0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 25 61.178 6.962 -2.149 1.00 0.00 H new ATOM 0 HE22 GLN A 25 60.450 8.330 -1.300 1.00 0.00 H new ATOM 376 N CYS A 26 63.428 2.730 2.270 1.00 0.00 N ATOM 377 CA CYS A 26 62.681 1.495 2.527 1.00 0.00 C ATOM 378 C CYS A 26 62.316 1.371 4.002 1.00 0.00 C ATOM 379 O CYS A 26 63.024 1.878 4.870 1.00 0.00 O ATOM 380 CB CYS A 26 63.521 0.286 2.110 1.00 0.00 C ATOM 381 SG CYS A 26 65.167 0.406 2.851 1.00 0.00 S ATOM 0 H CYS A 26 63.975 3.071 3.060 1.00 0.00 H new ATOM 0 HA CYS A 26 61.761 1.528 1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 26 63.034 -0.635 2.429 1.00 0.00 H new ATOM 0 HB3 CYS A 26 63.602 0.244 1.024 1.00 0.00 H new ATOM 0 HG CYS A 26 65.878 -0.623 2.497 1.00 0.00 H new ATOM 387 N ARG A 27 61.210 0.679 4.279 1.00 0.00 N ATOM 388 CA ARG A 27 60.756 0.474 5.655 1.00 0.00 C ATOM 389 C ARG A 27 61.233 -0.885 6.162 1.00 0.00 C ATOM 390 O ARG A 27 61.087 -1.892 5.471 1.00 0.00 O ATOM 391 CB ARG A 27 59.225 0.529 5.702 1.00 0.00 C ATOM 392 CG ARG A 27 58.753 1.943 5.352 1.00 0.00 C ATOM 393 CD ARG A 27 57.224 1.997 5.359 1.00 0.00 C ATOM 394 NE ARG A 27 56.775 3.350 5.039 1.00 0.00 N ATOM 395 CZ ARG A 27 56.666 3.758 3.779 1.00 0.00 C ATOM 396 NH1 ARG A 27 55.495 3.803 3.205 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 57.732 4.117 3.116 1.00 0.00 N ATOM 0 H ARG A 27 60.613 0.252 3.571 1.00 0.00 H new ATOM 0 HA ARG A 27 61.169 1.258 6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 27 58.803 -0.191 5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 27 58.871 0.251 6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 27 59.154 2.658 6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.131 2.230 4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 27 56.823 1.290 4.633 1.00 0.00 H new ATOM 0 HD3 ARG A 27 56.845 1.700 6.337 1.00 0.00 H new ATOM 0 HE ARG A 27 56.541 3.993 5.796 1.00 0.00 H new ATOM 0 HH11 ARG A 27 54.662 3.525 3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 27 55.413 4.116 2.238 1.00 0.00 H new ATOM 0 HH21 ARG A 27 58.647 4.084 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 27 57.650 4.430 2.149 1.00 0.00 H new ATOM 411 N LEU A 28 61.808 -0.919 7.369 1.00 0.00 N ATOM 412 CA LEU A 28 62.299 -2.183 7.932 1.00 0.00 C ATOM 413 C LEU A 28 62.097 -2.214 9.450 1.00 0.00 C ATOM 414 O LEU A 28 62.826 -1.557 10.187 1.00 0.00 O ATOM 415 CB LEU A 28 63.796 -2.334 7.599 1.00 0.00 C ATOM 416 CG LEU A 28 64.218 -3.810 7.645 1.00 0.00 C ATOM 417 CD1 LEU A 28 65.700 -3.924 7.277 1.00 0.00 C ATOM 418 CD2 LEU A 28 63.994 -4.380 9.049 1.00 0.00 C ATOM 0 H LEU A 28 61.944 -0.103 7.966 1.00 0.00 H new ATOM 0 HA LEU A 28 61.737 -3.009 7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 28 63.996 -1.924 6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.391 -1.759 8.308 1.00 0.00 H new ATOM 0 HG LEU A 28 63.616 -4.376 6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.003 -4.970 7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 28 65.857 -3.531 6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.296 -3.352 7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 28 64.297 -5.427 9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.587 -3.817 9.769 1.00 0.00 H new ATOM 0 HD23 LEU A 28 62.938 -4.303 9.309 1.00 0.00 H new ATOM 430 N SER A 29 61.119 -2.992 9.910 1.00 0.00 N ATOM 431 CA SER A 29 60.850 -3.103 11.344 1.00 0.00 C ATOM 432 C SER A 29 62.059 -3.685 12.069 1.00 0.00 C ATOM 433 O SER A 29 62.836 -4.444 11.490 1.00 0.00 O ATOM 434 CB SER A 29 59.623 -3.978 11.592 1.00 0.00 C ATOM 435 OG SER A 29 58.564 -3.547 10.747 1.00 0.00 O ATOM 0 H SER A 29 60.504 -3.550 9.318 1.00 0.00 H new ATOM 0 HA SER A 29 60.653 -2.104 11.733 1.00 0.00 H new ATOM 0 HB2 SER A 29 59.860 -5.023 11.393 1.00 0.00 H new ATOM 0 HB3 SER A 29 59.320 -3.913 12.637 1.00 0.00 H new ATOM 0 HG SER A 29 57.826 -4.190 10.794 1.00 0.00 H new ATOM 441 N ARG A 30 62.215 -3.304 13.334 1.00 0.00 N ATOM 442 CA ARG A 30 63.350 -3.752 14.140 1.00 0.00 C ATOM 443 C ARG A 30 63.453 -5.267 14.212 1.00 0.00 C ATOM 444 O ARG A 30 62.469 -5.988 14.044 1.00 0.00 O ATOM 445 CB ARG A 30 63.213 -3.195 15.560 1.00 0.00 C ATOM 446 CG ARG A 30 62.002 -3.830 16.259 1.00 0.00 C ATOM 447 CD ARG A 30 61.807 -3.180 17.631 1.00 0.00 C ATOM 448 NE ARG A 30 60.687 -3.802 18.329 1.00 0.00 N ATOM 449 CZ ARG A 30 60.169 -3.258 19.426 1.00 0.00 C ATOM 450 NH1 ARG A 30 59.511 -4.000 20.275 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 60.321 -1.983 19.659 1.00 0.00 N ATOM 0 H ARG A 30 61.569 -2.685 13.825 1.00 0.00 H new ATOM 0 HA ARG A 30 64.255 -3.381 13.659 1.00 0.00 H new ATOM 0 HB2 ARG A 30 64.120 -3.400 16.129 1.00 0.00 H new ATOM 0 HB3 ARG A 30 63.096 -2.112 15.525 1.00 0.00 H new ATOM 0 HG2 ARG A 30 61.107 -3.697 15.651 1.00 0.00 H new ATOM 0 HG3 ARG A 30 62.155 -4.903 16.371 1.00 0.00 H new ATOM 0 HD2 ARG A 30 62.716 -3.283 18.223 1.00 0.00 H new ATOM 0 HD3 ARG A 30 61.623 -2.112 17.513 1.00 0.00 H new ATOM 0 HE ARG A 30 60.294 -4.671 17.968 1.00 0.00 H new ATOM 0 HH11 ARG A 30 59.394 -4.998 20.097 1.00 0.00 H new ATOM 0 HH12 ARG A 30 59.114 -3.582 21.116 1.00 0.00 H new ATOM 0 HH21 ARG A 30 60.838 -1.402 18.999 1.00 0.00 H new ATOM 0 HH22 ARG A 30 59.923 -1.567 20.501 1.00 0.00 H new ATOM 465 N ALA A 31 64.673 -5.735 14.478 1.00 0.00 N ATOM 466 CA ALA A 31 64.951 -7.162 14.592 1.00 0.00 C ATOM 467 C ALA A 31 64.862 -7.614 16.045 1.00 0.00 C ATOM 468 O ALA A 31 64.499 -6.839 16.929 1.00 0.00 O ATOM 469 CB ALA A 31 66.347 -7.468 14.048 1.00 0.00 C ATOM 0 H ALA A 31 65.489 -5.139 14.619 1.00 0.00 H new ATOM 0 HA ALA A 31 64.206 -7.703 14.009 1.00 0.00 H new ATOM 0 HB1 ALA A 31 66.546 -8.536 14.137 1.00 0.00 H new ATOM 0 HB2 ALA A 31 66.401 -7.175 13.000 1.00 0.00 H new ATOM 0 HB3 ALA A 31 67.090 -6.911 14.619 1.00 0.00 H new ATOM 475 N SER A 32 65.204 -8.874 16.279 1.00 0.00 N ATOM 476 CA SER A 32 65.171 -9.440 17.621 1.00 0.00 C ATOM 477 C SER A 32 66.164 -10.585 17.686 1.00 0.00 C ATOM 478 O SER A 32 66.943 -10.703 18.630 1.00 0.00 O ATOM 479 CB SER A 32 63.766 -9.950 17.945 1.00 0.00 C ATOM 480 OG SER A 32 62.908 -8.843 18.192 1.00 0.00 O ATOM 0 H SER A 32 65.508 -9.525 15.555 1.00 0.00 H new ATOM 0 HA SER A 32 65.435 -8.674 18.350 1.00 0.00 H new ATOM 0 HB2 SER A 32 63.382 -10.544 17.115 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.796 -10.603 18.817 1.00 0.00 H new ATOM 0 HG SER A 32 62.249 -8.772 17.470 1.00 0.00 H new ATOM 486 N GLY A 33 66.147 -11.406 16.643 1.00 0.00 N ATOM 487 CA GLY A 33 67.062 -12.529 16.544 1.00 0.00 C ATOM 488 C GLY A 33 68.361 -12.057 15.908 1.00 0.00 C ATOM 489 O GLY A 33 69.370 -11.891 16.594 1.00 0.00 O ATOM 0 H GLY A 33 65.507 -11.312 15.854 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.256 -12.944 17.533 1.00 0.00 H new ATOM 0 HA3 GLY A 33 66.618 -13.325 15.946 1.00 0.00 H new ATOM 493 N GLN A 34 68.324 -11.821 14.592 1.00 0.00 N ATOM 494 CA GLN A 34 69.505 -11.342 13.864 1.00 0.00 C ATOM 495 C GLN A 34 69.216 -10.015 13.165 1.00 0.00 C ATOM 496 O GLN A 34 68.199 -9.865 12.488 1.00 0.00 O ATOM 497 CB GLN A 34 69.947 -12.377 12.826 1.00 0.00 C ATOM 498 CG GLN A 34 70.339 -13.679 13.528 1.00 0.00 C ATOM 499 CD GLN A 34 69.101 -14.351 14.112 1.00 0.00 C ATOM 500 OE1 GLN A 34 68.032 -14.322 13.502 1.00 0.00 O ATOM 501 NE2 GLN A 34 69.181 -14.959 15.264 1.00 0.00 N ATOM 0 H GLN A 34 67.495 -11.953 14.012 1.00 0.00 H new ATOM 0 HA GLN A 34 70.305 -11.191 14.589 1.00 0.00 H new ATOM 0 HB2 GLN A 34 69.139 -12.564 12.118 1.00 0.00 H new ATOM 0 HB3 GLN A 34 70.791 -11.993 12.253 1.00 0.00 H new ATOM 0 HG2 GLN A 34 70.828 -14.350 12.821 1.00 0.00 H new ATOM 0 HG3 GLN A 34 71.058 -13.472 14.320 1.00 0.00 H new ATOM 0 HE21 GLN A 34 70.067 -14.982 15.768 1.00 0.00 H new ATOM 0 HE22 GLN A 34 68.357 -15.411 15.660 1.00 0.00 H new ATOM 510 N GLU A 35 70.124 -9.056 13.332 1.00 0.00 N ATOM 511 CA GLU A 35 69.969 -7.740 12.717 1.00 0.00 C ATOM 512 C GLU A 35 70.320 -7.790 11.230 1.00 0.00 C ATOM 513 O GLU A 35 71.148 -8.595 10.803 1.00 0.00 O ATOM 514 CB GLU A 35 70.874 -6.729 13.422 1.00 0.00 C ATOM 515 CG GLU A 35 70.582 -5.324 12.892 1.00 0.00 C ATOM 516 CD GLU A 35 71.395 -4.293 13.669 1.00 0.00 C ATOM 517 OE1 GLU A 35 71.489 -3.168 13.206 1.00 0.00 O ATOM 518 OE2 GLU A 35 71.910 -4.645 14.718 1.00 0.00 O1- ATOM 0 H GLU A 35 70.973 -9.165 13.887 1.00 0.00 H new ATOM 0 HA GLU A 35 68.928 -7.434 12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 35 70.707 -6.765 14.499 1.00 0.00 H new ATOM 0 HB3 GLU A 35 71.921 -6.982 13.253 1.00 0.00 H new ATOM 0 HG2 GLU A 35 70.827 -5.268 11.831 1.00 0.00 H new ATOM 0 HG3 GLU A 35 69.518 -5.105 12.985 1.00 0.00 H new ATOM 525 N ALA A 36 69.684 -6.921 10.448 1.00 0.00 N ATOM 526 CA ALA A 36 69.931 -6.867 9.007 1.00 0.00 C ATOM 527 C ALA A 36 71.261 -6.174 8.714 1.00 0.00 C ATOM 528 O ALA A 36 71.672 -5.271 9.445 1.00 0.00 O ATOM 529 CB ALA A 36 68.792 -6.119 8.314 1.00 0.00 C ATOM 0 H ALA A 36 68.997 -6.247 10.785 1.00 0.00 H new ATOM 0 HA ALA A 36 69.980 -7.886 8.624 1.00 0.00 H new ATOM 0 HB1 ALA A 36 68.981 -6.082 7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 36 67.851 -6.637 8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.731 -5.104 8.707 1.00 0.00 H new ATOM 535 N ARG A 37 71.937 -6.606 7.641 1.00 0.00 N ATOM 536 CA ARG A 37 73.232 -6.024 7.258 1.00 0.00 C ATOM 537 C ARG A 37 73.141 -5.310 5.905 1.00 0.00 C ATOM 538 O ARG A 37 72.538 -5.825 4.958 1.00 0.00 O ATOM 539 CB ARG A 37 74.289 -7.131 7.166 1.00 0.00 C ATOM 540 CG ARG A 37 74.343 -7.931 8.477 1.00 0.00 C ATOM 541 CD ARG A 37 74.909 -7.072 9.619 1.00 0.00 C ATOM 542 NE ARG A 37 76.101 -6.355 9.178 1.00 0.00 N ATOM 543 CZ ARG A 37 77.282 -6.961 9.106 1.00 0.00 C ATOM 544 NH1 ARG A 37 77.549 -7.744 8.097 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 78.173 -6.768 10.038 1.00 0.00 N ATOM 0 H ARG A 37 71.612 -7.352 7.026 1.00 0.00 H new ATOM 0 HA ARG A 37 73.512 -5.296 8.020 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.056 -7.797 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 37 75.266 -6.694 6.959 1.00 0.00 H new ATOM 0 HG2 ARG A 37 73.343 -8.277 8.738 1.00 0.00 H new ATOM 0 HG3 ARG A 37 74.962 -8.818 8.342 1.00 0.00 H new ATOM 0 HD2 ARG A 37 74.154 -6.362 9.956 1.00 0.00 H new ATOM 0 HD3 ARG A 37 75.153 -7.706 10.472 1.00 0.00 H new ATOM 0 HE ARG A 37 76.027 -5.371 8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 37 76.852 -7.890 7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 37 78.454 -8.210 8.039 1.00 0.00 H new ATOM 0 HH21 ARG A 37 77.964 -6.152 10.823 1.00 0.00 H new ATOM 0 HH22 ARG A 37 79.079 -7.233 9.982 1.00 0.00 H new ATOM 559 N TRP A 38 73.764 -4.124 5.833 1.00 0.00 N ATOM 560 CA TRP A 38 73.787 -3.311 4.609 1.00 0.00 C ATOM 561 C TRP A 38 75.149 -3.480 3.922 1.00 0.00 C ATOM 562 O TRP A 38 76.173 -3.542 4.600 1.00 0.00 O ATOM 563 CB TRP A 38 73.562 -1.833 4.988 1.00 0.00 C ATOM 564 CG TRP A 38 73.011 -1.059 3.827 1.00 0.00 C ATOM 565 CD1 TRP A 38 73.650 -0.855 2.655 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.725 -0.379 3.716 1.00 0.00 C ATOM 567 NE1 TRP A 38 72.843 -0.088 1.834 1.00 0.00 N ATOM 568 CE2 TRP A 38 71.646 0.228 2.441 1.00 0.00 C ATOM 569 CE3 TRP A 38 70.632 -0.227 4.591 1.00 0.00 C ATOM 570 CZ2 TRP A 38 70.522 0.953 2.042 1.00 0.00 C ATOM 571 CZ3 TRP A 38 69.499 0.503 4.192 1.00 0.00 C ATOM 572 CH2 TRP A 38 69.444 1.092 2.920 1.00 0.00 C ATOM 0 H TRP A 38 74.263 -3.704 6.617 1.00 0.00 H new ATOM 0 HA TRP A 38 73.001 -3.631 3.925 1.00 0.00 H new ATOM 0 HB2 TRP A 38 72.874 -1.771 5.831 1.00 0.00 H new ATOM 0 HB3 TRP A 38 74.504 -1.389 5.312 1.00 0.00 H new ATOM 0 HD1 TRP A 38 74.631 -1.229 2.400 1.00 0.00 H new ATOM 0 HE1 TRP A 38 73.102 0.208 0.893 1.00 0.00 H new ATOM 0 HE3 TRP A 38 70.665 -0.674 5.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 70.486 1.404 1.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 68.665 0.611 4.869 1.00 0.00 H new ATOM 0 HH2 TRP A 38 68.570 1.652 2.620 1.00 0.00 H new ATOM 583 N ALA A 39 75.163 -3.562 2.585 1.00 0.00 N ATOM 584 CA ALA A 39 76.426 -3.740 1.855 1.00 0.00 C ATOM 585 C ALA A 39 76.197 -3.716 0.345 1.00 0.00 C ATOM 586 O ALA A 39 75.074 -3.886 -0.120 1.00 0.00 O ATOM 587 CB ALA A 39 77.070 -5.081 2.227 1.00 0.00 C ATOM 0 H ALA A 39 74.332 -3.509 1.996 1.00 0.00 H new ATOM 0 HA ALA A 39 77.084 -2.917 2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 39 78.005 -5.200 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 39 77.272 -5.103 3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 39 76.392 -5.894 1.969 1.00 0.00 H new ATOM 593 N LEU A 40 77.277 -3.534 -0.420 1.00 0.00 N ATOM 594 CA LEU A 40 77.184 -3.525 -1.884 1.00 0.00 C ATOM 595 C LEU A 40 78.373 -4.269 -2.501 1.00 0.00 C ATOM 596 O LEU A 40 79.528 -4.017 -2.163 1.00 0.00 O ATOM 597 CB LEU A 40 77.085 -2.079 -2.414 1.00 0.00 C ATOM 598 CG LEU A 40 78.453 -1.376 -2.429 1.00 0.00 C ATOM 599 CD1 LEU A 40 78.272 0.043 -2.974 1.00 0.00 C ATOM 600 CD2 LEU A 40 79.016 -1.294 -1.005 1.00 0.00 C ATOM 0 H LEU A 40 78.219 -3.392 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 40 76.274 -4.048 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 40 76.672 -2.090 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 40 76.393 -1.512 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 40 79.143 -1.940 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 40 79.236 0.552 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 40 77.870 -0.004 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 40 77.581 0.593 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 40 79.985 -0.795 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 40 78.330 -0.729 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 40 79.134 -2.300 -0.602 1.00 0.00 H new ATOM 612 N GLY A 41 78.082 -5.196 -3.405 1.00 0.00 N ATOM 613 CA GLY A 41 79.140 -5.965 -4.052 1.00 0.00 C ATOM 614 C GLY A 41 79.720 -7.010 -3.102 1.00 0.00 C ATOM 615 O GLY A 41 80.705 -7.675 -3.424 1.00 0.00 O ATOM 0 H GLY A 41 77.136 -5.432 -3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.745 -6.457 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 41 79.931 -5.293 -4.385 1.00 0.00 H new ATOM 619 N GLY A 42 79.101 -7.159 -1.930 1.00 0.00 N ATOM 620 CA GLY A 42 79.558 -8.140 -0.939 1.00 0.00 C ATOM 621 C GLY A 42 80.418 -7.495 0.149 1.00 0.00 C ATOM 622 O GLY A 42 80.630 -8.085 1.209 1.00 0.00 O ATOM 0 H GLY A 42 78.286 -6.617 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.694 -8.622 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 42 80.131 -8.921 -1.439 1.00 0.00 H new ATOM 626 N VAL A 43 80.918 -6.289 -0.114 1.00 0.00 N ATOM 627 CA VAL A 43 81.764 -5.581 0.854 1.00 0.00 C ATOM 628 C VAL A 43 80.948 -4.500 1.590 1.00 0.00 C ATOM 629 O VAL A 43 80.377 -3.623 0.941 1.00 0.00 O ATOM 630 CB VAL A 43 82.931 -4.910 0.115 1.00 0.00 C ATOM 631 CG1 VAL A 43 84.017 -4.508 1.120 1.00 0.00 C ATOM 632 CG2 VAL A 43 83.528 -5.885 -0.909 1.00 0.00 C ATOM 0 H VAL A 43 80.755 -5.781 -0.983 1.00 0.00 H new ATOM 0 HA VAL A 43 82.143 -6.300 1.581 1.00 0.00 H new ATOM 0 HB VAL A 43 82.562 -4.023 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.843 -4.032 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.600 -3.810 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 43 84.380 -5.396 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 43 84.355 -5.404 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 43 83.891 -6.775 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 43 82.762 -6.170 -1.630 1.00 0.00 H new ATOM 642 N PRO A 44 80.869 -4.519 2.910 1.00 0.00 N ATOM 643 CA PRO A 44 80.087 -3.480 3.643 1.00 0.00 C ATOM 644 C PRO A 44 80.613 -2.075 3.340 1.00 0.00 C ATOM 645 O PRO A 44 81.821 -1.851 3.291 1.00 0.00 O ATOM 646 CB PRO A 44 80.245 -3.823 5.145 1.00 0.00 C ATOM 647 CG PRO A 44 81.078 -5.080 5.237 1.00 0.00 C ATOM 648 CD PRO A 44 81.488 -5.502 3.814 1.00 0.00 C ATOM 0 HA PRO A 44 79.040 -3.481 3.340 1.00 0.00 H new ATOM 0 HB2 PRO A 44 80.728 -3.003 5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 44 79.270 -3.974 5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 44 81.963 -4.904 5.849 1.00 0.00 H new ATOM 0 HG3 PRO A 44 80.510 -5.876 5.719 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.572 -5.505 3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 44 81.142 -6.511 3.590 1.00 0.00 H new ATOM 656 N LEU A 45 79.694 -1.132 3.142 1.00 0.00 N ATOM 657 CA LEU A 45 80.074 0.248 2.849 1.00 0.00 C ATOM 658 C LEU A 45 80.192 1.057 4.139 1.00 0.00 C ATOM 659 O LEU A 45 80.059 0.522 5.239 1.00 0.00 O ATOM 660 CB LEU A 45 79.030 0.902 1.920 1.00 0.00 C ATOM 661 CG LEU A 45 77.636 0.330 2.194 1.00 0.00 C ATOM 662 CD1 LEU A 45 77.277 0.486 3.678 1.00 0.00 C ATOM 663 CD2 LEU A 45 76.620 1.092 1.338 1.00 0.00 C ATOM 0 H LEU A 45 78.688 -1.296 3.179 1.00 0.00 H new ATOM 0 HA LEU A 45 81.043 0.238 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.023 1.981 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.302 0.730 0.879 1.00 0.00 H new ATOM 0 HG LEU A 45 77.622 -0.731 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 45 76.284 0.075 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.006 -0.049 4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 45 77.286 1.543 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 45 75.621 0.697 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 45 76.645 2.150 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 45 76.870 0.972 0.284 1.00 0.00 H new ATOM 675 N GLN A 46 80.432 2.356 3.981 1.00 0.00 N ATOM 676 CA GLN A 46 80.557 3.264 5.117 1.00 0.00 C ATOM 677 C GLN A 46 79.847 4.569 4.794 1.00 0.00 C ATOM 678 O GLN A 46 79.689 4.923 3.627 1.00 0.00 O ATOM 679 CB GLN A 46 82.035 3.546 5.416 1.00 0.00 C ATOM 680 CG GLN A 46 82.760 3.964 4.131 1.00 0.00 C ATOM 681 CD GLN A 46 83.053 2.743 3.271 1.00 0.00 C ATOM 682 OE1 GLN A 46 83.558 1.737 3.770 1.00 0.00 O ATOM 683 NE2 GLN A 46 82.771 2.771 1.997 1.00 0.00 N ATOM 0 H GLN A 46 80.544 2.805 3.072 1.00 0.00 H new ATOM 0 HA GLN A 46 80.104 2.801 5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.119 4.335 6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 46 82.506 2.657 5.836 1.00 0.00 H new ATOM 0 HG2 GLN A 46 82.147 4.672 3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 46 83.690 4.474 4.380 1.00 0.00 H new ATOM 0 HE21 GLN A 46 82.353 3.605 1.585 1.00 0.00 H new ATOM 0 HE22 GLN A 46 82.969 1.959 1.413 1.00 0.00 H new ATOM 692 N ALA A 47 79.416 5.281 5.825 1.00 0.00 N ATOM 693 CA ALA A 47 78.723 6.543 5.616 1.00 0.00 C ATOM 694 C ALA A 47 79.662 7.567 4.979 1.00 0.00 C ATOM 695 O ALA A 47 80.064 8.539 5.617 1.00 0.00 O ATOM 696 CB ALA A 47 78.200 7.073 6.951 1.00 0.00 C ATOM 0 H ALA A 47 79.532 5.011 6.802 1.00 0.00 H new ATOM 0 HA ALA A 47 77.883 6.375 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 47 77.682 8.018 6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.509 6.350 7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 47 79.036 7.229 7.633 1.00 0.00 H new ATOM 702 N ASN A 48 79.998 7.340 3.710 1.00 0.00 N ATOM 703 CA ASN A 48 80.881 8.244 2.985 1.00 0.00 C ATOM 704 C ASN A 48 80.172 9.572 2.742 1.00 0.00 C ATOM 705 O ASN A 48 78.944 9.641 2.764 1.00 0.00 O ATOM 706 CB ASN A 48 81.289 7.613 1.647 1.00 0.00 C ATOM 707 CG ASN A 48 82.543 8.290 1.101 1.00 0.00 C ATOM 708 OD1 ASN A 48 82.624 9.519 1.072 1.00 0.00 O ATOM 709 ND2 ASN A 48 83.532 7.556 0.669 1.00 0.00 N ATOM 0 H ASN A 48 79.672 6.540 3.167 1.00 0.00 H new ATOM 0 HA ASN A 48 81.777 8.423 3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 48 81.472 6.547 1.781 1.00 0.00 H new ATOM 0 HB3 ASN A 48 80.474 7.708 0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 48 84.376 8.000 0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 48 83.461 6.539 0.695 1.00 0.00 H new ATOM 716 N GLU A 49 80.941 10.630 2.519 1.00 0.00 N ATOM 717 CA GLU A 49 80.345 11.938 2.289 1.00 0.00 C ATOM 718 C GLU A 49 79.358 11.872 1.124 1.00 0.00 C ATOM 719 O GLU A 49 78.250 12.400 1.213 1.00 0.00 O ATOM 720 CB GLU A 49 81.437 12.971 1.997 1.00 0.00 C ATOM 721 CG GLU A 49 80.802 14.354 1.842 1.00 0.00 C ATOM 722 CD GLU A 49 81.888 15.412 1.681 1.00 0.00 C ATOM 723 OE1 GLU A 49 81.551 16.583 1.677 1.00 0.00 O ATOM 724 OE2 GLU A 49 83.043 15.035 1.579 1.00 0.00 O1- ATOM 0 H GLU A 49 81.960 10.610 2.493 1.00 0.00 H new ATOM 0 HA GLU A 49 79.806 12.240 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.167 12.983 2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 49 81.974 12.701 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 49 80.141 14.365 0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 49 80.188 14.581 2.714 1.00 0.00 H new ATOM 731 N MET A 50 79.754 11.209 0.040 1.00 0.00 N ATOM 732 CA MET A 50 78.875 11.076 -1.120 1.00 0.00 C ATOM 733 C MET A 50 77.697 10.159 -0.787 1.00 0.00 C ATOM 734 O MET A 50 76.576 10.367 -1.264 1.00 0.00 O ATOM 735 CB MET A 50 79.648 10.511 -2.318 1.00 0.00 C ATOM 736 CG MET A 50 80.600 9.407 -1.852 1.00 0.00 C ATOM 737 SD MET A 50 81.184 8.480 -3.295 1.00 0.00 S ATOM 738 CE MET A 50 82.077 7.185 -2.401 1.00 0.00 C ATOM 0 H MET A 50 80.665 10.761 -0.060 1.00 0.00 H new ATOM 0 HA MET A 50 78.497 12.065 -1.380 1.00 0.00 H new ATOM 0 HB2 MET A 50 78.951 10.114 -3.057 1.00 0.00 H new ATOM 0 HB3 MET A 50 80.211 11.306 -2.806 1.00 0.00 H new ATOM 0 HG2 MET A 50 81.445 9.840 -1.316 1.00 0.00 H new ATOM 0 HG3 MET A 50 80.090 8.739 -1.157 1.00 0.00 H new ATOM 0 HE1 MET A 50 82.293 6.359 -3.078 1.00 0.00 H new ATOM 0 HE2 MET A 50 83.011 7.590 -2.012 1.00 0.00 H new ATOM 0 HE3 MET A 50 81.465 6.826 -1.574 1.00 0.00 H new ATOM 748 N ASN A 51 77.971 9.138 0.029 1.00 0.00 N ATOM 749 CA ASN A 51 76.950 8.168 0.437 1.00 0.00 C ATOM 750 C ASN A 51 76.729 8.241 1.944 1.00 0.00 C ATOM 751 O ASN A 51 77.551 7.757 2.720 1.00 0.00 O ATOM 752 CB ASN A 51 77.415 6.758 0.064 1.00 0.00 C ATOM 753 CG ASN A 51 77.713 6.693 -1.428 1.00 0.00 C ATOM 754 OD1 ASN A 51 77.332 7.592 -2.174 1.00 0.00 O ATOM 755 ND2 ASN A 51 78.378 5.678 -1.908 1.00 0.00 N ATOM 0 H ASN A 51 78.895 8.961 0.422 1.00 0.00 H new ATOM 0 HA ASN A 51 76.015 8.399 -0.073 1.00 0.00 H new ATOM 0 HB2 ASN A 51 78.306 6.496 0.634 1.00 0.00 H new ATOM 0 HB3 ASN A 51 76.646 6.031 0.323 1.00 0.00 H new ATOM 0 HD21 ASN A 51 78.583 5.629 -2.906 1.00 0.00 H new ATOM 0 HD22 ASN A 51 78.692 4.934 -1.285 1.00 0.00 H new ATOM 762 N ASP A 52 75.615 8.848 2.357 1.00 0.00 N ATOM 763 CA ASP A 52 75.301 8.981 3.780 1.00 0.00 C ATOM 764 C ASP A 52 74.155 8.054 4.161 1.00 0.00 C ATOM 765 O ASP A 52 73.175 7.933 3.428 1.00 0.00 O ATOM 766 CB ASP A 52 74.910 10.428 4.086 1.00 0.00 C ATOM 767 CG ASP A 52 76.121 11.341 3.932 1.00 0.00 C ATOM 768 OD1 ASP A 52 75.925 12.542 3.841 1.00 0.00 O ATOM 769 OD2 ASP A 52 77.225 10.827 3.906 1.00 0.00 O1- ATOM 0 H ASP A 52 74.919 9.253 1.731 1.00 0.00 H new ATOM 0 HA ASP A 52 76.183 8.708 4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 52 74.115 10.748 3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.517 10.500 5.100 1.00 0.00 H new ATOM 774 N ILE A 53 74.280 7.405 5.318 1.00 0.00 N ATOM 775 CA ILE A 53 73.242 6.492 5.800 1.00 0.00 C ATOM 776 C ILE A 53 72.674 6.999 7.118 1.00 0.00 C ATOM 777 O ILE A 53 73.422 7.313 8.046 1.00 0.00 O ATOM 778 CB ILE A 53 73.815 5.082 6.011 1.00 0.00 C ATOM 779 CG1 ILE A 53 74.783 4.746 4.866 1.00 0.00 C ATOM 780 CG2 ILE A 53 72.661 4.062 6.039 1.00 0.00 C ATOM 781 CD1 ILE A 53 75.040 3.236 4.819 1.00 0.00 C ATOM 0 H ILE A 53 75.086 7.493 5.937 1.00 0.00 H new ATOM 0 HA ILE A 53 72.453 6.448 5.049 1.00 0.00 H new ATOM 0 HB ILE A 53 74.354 5.042 6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 53 74.366 5.081 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 53 75.724 5.279 5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 53 73.064 3.060 6.189 1.00 0.00 H new ATOM 0 HG22 ILE A 53 71.981 4.305 6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 53 72.121 4.098 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.727 3.009 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 53 75.477 2.912 5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 53 74.098 2.712 4.656 1.00 0.00 H new ATOM 793 N THR A 54 71.349 7.077 7.204 1.00 0.00 N ATOM 794 CA THR A 54 70.703 7.551 8.432 1.00 0.00 C ATOM 795 C THR A 54 69.423 6.775 8.714 1.00 0.00 C ATOM 796 O THR A 54 68.712 6.367 7.794 1.00 0.00 O ATOM 797 CB THR A 54 70.378 9.041 8.303 1.00 0.00 C ATOM 798 OG1 THR A 54 69.557 9.442 9.391 1.00 0.00 O ATOM 799 CG2 THR A 54 69.642 9.289 6.984 1.00 0.00 C ATOM 0 H THR A 54 70.707 6.823 6.453 1.00 0.00 H new ATOM 0 HA THR A 54 71.392 7.392 9.261 1.00 0.00 H new ATOM 0 HB THR A 54 71.302 9.619 8.316 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.350 10.396 9.310 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.410 10.350 6.891 1.00 0.00 H new ATOM 0 HG22 THR A 54 70.274 8.981 6.151 1.00 0.00 H new ATOM 0 HG23 THR A 54 68.717 8.713 6.970 1.00 0.00 H new ATOM 807 N VAL A 55 69.131 6.587 10.002 1.00 0.00 N ATOM 808 CA VAL A 55 67.928 5.872 10.433 1.00 0.00 C ATOM 809 C VAL A 55 67.095 6.778 11.333 1.00 0.00 C ATOM 810 O VAL A 55 67.621 7.402 12.254 1.00 0.00 O ATOM 811 CB VAL A 55 68.306 4.590 11.188 1.00 0.00 C ATOM 812 CG1 VAL A 55 67.063 4.000 11.871 1.00 0.00 C ATOM 813 CG2 VAL A 55 68.870 3.567 10.196 1.00 0.00 C ATOM 0 H VAL A 55 69.714 6.922 10.769 1.00 0.00 H new ATOM 0 HA VAL A 55 67.346 5.596 9.554 1.00 0.00 H new ATOM 0 HB VAL A 55 69.055 4.826 11.944 1.00 0.00 H new ATOM 0 HG11 VAL A 55 67.338 3.090 12.405 1.00 0.00 H new ATOM 0 HG12 VAL A 55 66.656 4.725 12.576 1.00 0.00 H new ATOM 0 HG13 VAL A 55 66.311 3.765 11.118 1.00 0.00 H new ATOM 0 HG21 VAL A 55 69.140 2.655 10.728 1.00 0.00 H new ATOM 0 HG22 VAL A 55 68.117 3.338 9.442 1.00 0.00 H new ATOM 0 HG23 VAL A 55 69.755 3.980 9.711 1.00 0.00 H new ATOM 823 N GLU A 56 65.796 6.850 11.057 1.00 0.00 N ATOM 824 CA GLU A 56 64.890 7.688 11.843 1.00 0.00 C ATOM 825 C GLU A 56 63.772 6.841 12.442 1.00 0.00 C ATOM 826 O GLU A 56 63.691 5.640 12.192 1.00 0.00 O ATOM 827 CB GLU A 56 64.291 8.768 10.944 1.00 0.00 C ATOM 828 CG GLU A 56 65.409 9.694 10.457 1.00 0.00 C ATOM 829 CD GLU A 56 64.843 10.749 9.515 1.00 0.00 C ATOM 830 OE1 GLU A 56 63.668 10.668 9.202 1.00 0.00 O ATOM 831 OE2 GLU A 56 65.593 11.630 9.128 1.00 0.00 O1- ATOM 0 H GLU A 56 65.346 6.340 10.297 1.00 0.00 H new ATOM 0 HA GLU A 56 65.450 8.154 12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.785 8.311 10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 56 63.542 9.340 11.492 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.889 10.176 11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 56 66.176 9.113 9.945 1.00 0.00 H new ATOM 838 N GLN A 57 62.911 7.477 13.232 1.00 0.00 N ATOM 839 CA GLN A 57 61.798 6.772 13.861 1.00 0.00 C ATOM 840 C GLN A 57 61.143 5.821 12.866 1.00 0.00 C ATOM 841 O GLN A 57 61.164 6.067 11.662 1.00 0.00 O ATOM 842 CB GLN A 57 60.750 7.772 14.334 1.00 0.00 C ATOM 843 CG GLN A 57 61.327 8.655 15.443 1.00 0.00 C ATOM 844 CD GLN A 57 60.319 9.742 15.801 1.00 0.00 C ATOM 845 OE1 GLN A 57 59.206 9.750 15.275 1.00 0.00 O ATOM 846 NE2 GLN A 57 60.640 10.666 16.662 1.00 0.00 N ATOM 0 H GLN A 57 62.962 8.472 13.451 1.00 0.00 H new ATOM 0 HA GLN A 57 62.187 6.207 14.708 1.00 0.00 H new ATOM 0 HB2 GLN A 57 60.424 8.391 13.498 1.00 0.00 H new ATOM 0 HB3 GLN A 57 59.871 7.243 14.701 1.00 0.00 H new ATOM 0 HG2 GLN A 57 61.555 8.052 16.322 1.00 0.00 H new ATOM 0 HG3 GLN A 57 62.263 9.106 15.114 1.00 0.00 H new ATOM 0 HE21 GLN A 57 61.562 10.659 17.098 1.00 0.00 H new ATOM 0 HE22 GLN A 57 59.969 11.396 16.900 1.00 0.00 H new ATOM 855 N GLY A 58 60.560 4.742 13.374 1.00 0.00 N ATOM 856 CA GLY A 58 59.902 3.774 12.506 1.00 0.00 C ATOM 857 C GLY A 58 60.929 2.957 11.737 1.00 0.00 C ATOM 858 O GLY A 58 60.621 2.369 10.702 1.00 0.00 O ATOM 0 H GLY A 58 60.529 4.517 14.368 1.00 0.00 H new ATOM 0 HA2 GLY A 58 59.275 3.111 13.102 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.245 4.292 11.807 1.00 0.00 H new ATOM 862 N THR A 59 62.152 2.929 12.252 1.00 0.00 N ATOM 863 CA THR A 59 63.222 2.182 11.607 1.00 0.00 C ATOM 864 C THR A 59 63.261 2.489 10.115 1.00 0.00 C ATOM 865 O THR A 59 63.509 1.605 9.288 1.00 0.00 O ATOM 866 CB THR A 59 63.019 0.685 11.831 1.00 0.00 C ATOM 867 OG1 THR A 59 61.802 0.277 11.221 1.00 0.00 O ATOM 868 CG2 THR A 59 62.964 0.399 13.332 1.00 0.00 C ATOM 0 H THR A 59 62.425 3.411 13.108 1.00 0.00 H new ATOM 0 HA THR A 59 64.173 2.482 12.047 1.00 0.00 H new ATOM 0 HB THR A 59 63.848 0.133 11.388 1.00 0.00 H new ATOM 0 HG1 THR A 59 61.501 0.969 10.596 1.00 0.00 H new ATOM 0 HG21 THR A 59 62.819 -0.669 13.494 1.00 0.00 H new ATOM 0 HG22 THR A 59 63.899 0.713 13.797 1.00 0.00 H new ATOM 0 HG23 THR A 59 62.135 0.949 13.777 1.00 0.00 H new ATOM 876 N LEU A 60 63.016 3.753 9.779 1.00 0.00 N ATOM 877 CA LEU A 60 63.033 4.183 8.387 1.00 0.00 C ATOM 878 C LEU A 60 64.474 4.301 7.885 1.00 0.00 C ATOM 879 O LEU A 60 65.351 4.791 8.596 1.00 0.00 O ATOM 880 CB LEU A 60 62.327 5.536 8.254 1.00 0.00 C ATOM 881 CG LEU A 60 60.848 5.398 8.651 1.00 0.00 C ATOM 882 CD1 LEU A 60 60.201 6.787 8.682 1.00 0.00 C ATOM 883 CD2 LEU A 60 60.105 4.505 7.642 1.00 0.00 C ATOM 0 H LEU A 60 62.805 4.493 10.449 1.00 0.00 H new ATOM 0 HA LEU A 60 62.510 3.441 7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 60 62.815 6.275 8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.405 5.897 7.228 1.00 0.00 H new ATOM 0 HG LEU A 60 60.785 4.939 9.638 1.00 0.00 H new ATOM 0 HD11 LEU A 60 59.152 6.694 8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 60 60.717 7.413 9.410 1.00 0.00 H new ATOM 0 HD13 LEU A 60 60.273 7.244 7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 60 59.059 4.416 7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 60 60.166 4.949 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 60 60.562 3.516 7.626 1.00 0.00 H new ATOM 895 N HIS A 61 64.708 3.850 6.652 1.00 0.00 N ATOM 896 CA HIS A 61 66.042 3.905 6.043 1.00 0.00 C ATOM 897 C HIS A 61 66.074 4.967 4.952 1.00 0.00 C ATOM 898 O HIS A 61 65.061 5.215 4.293 1.00 0.00 O ATOM 899 CB HIS A 61 66.396 2.546 5.438 1.00 0.00 C ATOM 900 CG HIS A 61 66.526 1.525 6.536 1.00 0.00 C ATOM 901 ND1 HIS A 61 67.654 1.445 7.338 1.00 0.00 N ATOM 902 CD2 HIS A 61 65.683 0.534 6.973 1.00 0.00 C ATOM 903 CE1 HIS A 61 67.461 0.438 8.210 1.00 0.00 C ATOM 904 NE2 HIS A 61 66.276 -0.150 8.030 1.00 0.00 N ATOM 0 H HIS A 61 63.991 3.441 6.053 1.00 0.00 H new ATOM 0 HA HIS A 61 66.769 4.158 6.815 1.00 0.00 H new ATOM 0 HB2 HIS A 61 65.625 2.239 4.731 1.00 0.00 H new ATOM 0 HB3 HIS A 61 67.330 2.617 4.880 1.00 0.00 H new ATOM 0 HD1 HIS A 61 68.480 2.041 7.278 1.00 0.00 H new ATOM 0 HD2 HIS A 61 64.709 0.318 6.560 1.00 0.00 H new ATOM 0 HE1 HIS A 61 68.177 0.142 8.963 1.00 0.00 H new ATOM 912 N LEU A 62 67.237 5.595 4.763 1.00 0.00 N ATOM 913 CA LEU A 62 67.368 6.635 3.749 1.00 0.00 C ATOM 914 C LEU A 62 68.832 6.851 3.393 1.00 0.00 C ATOM 915 O LEU A 62 69.572 7.517 4.121 1.00 0.00 O ATOM 916 CB LEU A 62 66.763 7.944 4.271 1.00 0.00 C ATOM 917 CG LEU A 62 66.829 9.043 3.197 1.00 0.00 C ATOM 918 CD1 LEU A 62 65.953 8.669 1.990 1.00 0.00 C ATOM 919 CD2 LEU A 62 66.332 10.358 3.806 1.00 0.00 C ATOM 0 H LEU A 62 68.088 5.403 5.292 1.00 0.00 H new ATOM 0 HA LEU A 62 66.834 6.319 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.727 7.779 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.300 8.268 5.163 1.00 0.00 H new ATOM 0 HG LEU A 62 67.858 9.152 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 62 66.011 9.458 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 62 66.307 7.732 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 62 64.919 8.552 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 62 66.374 11.146 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 62 65.304 10.236 4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 62 66.964 10.629 4.651 1.00 0.00 H new ATOM 931 N LEU A 63 69.239 6.285 2.262 1.00 0.00 N ATOM 932 CA LEU A 63 70.607 6.412 1.781 1.00 0.00 C ATOM 933 C LEU A 63 70.670 7.480 0.696 1.00 0.00 C ATOM 934 O LEU A 63 70.159 7.289 -0.407 1.00 0.00 O ATOM 935 CB LEU A 63 71.070 5.047 1.266 1.00 0.00 C ATOM 936 CG LEU A 63 72.343 5.155 0.407 1.00 0.00 C ATOM 937 CD1 LEU A 63 73.383 6.079 1.065 1.00 0.00 C ATOM 938 CD2 LEU A 63 72.941 3.745 0.261 1.00 0.00 C ATOM 0 H LEU A 63 68.634 5.729 1.658 1.00 0.00 H new ATOM 0 HA LEU A 63 71.274 6.723 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.259 4.386 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 63 70.273 4.592 0.677 1.00 0.00 H new ATOM 0 HG LEU A 63 72.084 5.576 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 63 74.271 6.135 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 63 72.960 7.076 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 63 73.657 5.681 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 63 73.846 3.794 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.186 3.350 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.216 3.091 -0.223 1.00 0.00 H new ATOM 950 N THR A 64 71.294 8.610 1.021 1.00 0.00 N ATOM 951 CA THR A 64 71.410 9.711 0.073 1.00 0.00 C ATOM 952 C THR A 64 72.631 9.527 -0.820 1.00 0.00 C ATOM 953 O THR A 64 73.774 9.623 -0.368 1.00 0.00 O ATOM 954 CB THR A 64 71.522 11.043 0.829 1.00 0.00 C ATOM 955 OG1 THR A 64 72.348 10.864 1.967 1.00 0.00 O ATOM 956 CG2 THR A 64 70.136 11.512 1.280 1.00 0.00 C ATOM 0 H THR A 64 71.724 8.785 1.929 1.00 0.00 H new ATOM 0 HA THR A 64 70.517 9.721 -0.552 1.00 0.00 H new ATOM 0 HB THR A 64 71.954 11.794 0.168 1.00 0.00 H new ATOM 0 HG1 THR A 64 72.424 11.712 2.453 1.00 0.00 H new ATOM 0 HG21 THR A 64 70.228 12.457 1.815 1.00 0.00 H new ATOM 0 HG22 THR A 64 69.497 11.649 0.408 1.00 0.00 H new ATOM 0 HG23 THR A 64 69.695 10.764 1.939 1.00 0.00 H new ATOM 964 N LEU A 65 72.369 9.279 -2.098 1.00 0.00 N ATOM 965 CA LEU A 65 73.428 9.095 -3.091 1.00 0.00 C ATOM 966 C LEU A 65 73.416 10.273 -4.061 1.00 0.00 C ATOM 967 O LEU A 65 72.393 10.559 -4.682 1.00 0.00 O ATOM 968 CB LEU A 65 73.178 7.780 -3.847 1.00 0.00 C ATOM 969 CG LEU A 65 74.230 7.560 -4.947 1.00 0.00 C ATOM 970 CD1 LEU A 65 75.609 7.311 -4.320 1.00 0.00 C ATOM 971 CD2 LEU A 65 73.821 6.338 -5.778 1.00 0.00 C ATOM 0 H LEU A 65 71.425 9.200 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 65 74.401 9.049 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 65 73.201 6.945 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 65 72.183 7.797 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 65 74.287 8.446 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 65 76.345 7.157 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 65 75.897 8.174 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 65 75.566 6.425 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 65 74.558 6.169 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 65 73.769 5.460 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 65 72.845 6.515 -6.229 1.00 0.00 H new ATOM 983 N HIS A 66 74.552 10.962 -4.189 1.00 0.00 N ATOM 984 CA HIS A 66 74.634 12.115 -5.092 1.00 0.00 C ATOM 985 C HIS A 66 76.017 12.216 -5.727 1.00 0.00 C ATOM 986 O HIS A 66 76.959 11.543 -5.306 1.00 0.00 O ATOM 987 CB HIS A 66 74.329 13.402 -4.324 1.00 0.00 C ATOM 988 CG HIS A 66 74.300 14.561 -5.282 1.00 0.00 C ATOM 989 ND1 HIS A 66 73.409 14.620 -6.342 1.00 0.00 N ATOM 990 CD2 HIS A 66 75.043 15.714 -5.353 1.00 0.00 C ATOM 991 CE1 HIS A 66 73.635 15.772 -6.998 1.00 0.00 C ATOM 992 NE2 HIS A 66 74.621 16.477 -6.437 1.00 0.00 N ATOM 0 H HIS A 66 75.415 10.748 -3.689 1.00 0.00 H new ATOM 0 HA HIS A 66 73.898 11.978 -5.884 1.00 0.00 H new ATOM 0 HB2 HIS A 66 73.370 13.315 -3.813 1.00 0.00 H new ATOM 0 HB3 HIS A 66 75.085 13.569 -3.557 1.00 0.00 H new ATOM 0 HD2 HIS A 66 75.835 15.987 -4.671 1.00 0.00 H new ATOM 0 HE1 HIS A 66 73.086 16.089 -7.872 1.00 0.00 H new ATOM 0 HE2 HIS A 66 74.986 17.380 -6.739 1.00 0.00 H new ATOM 1000 N LYS A 67 76.131 13.066 -6.743 1.00 0.00 N ATOM 1001 CA LYS A 67 77.401 13.253 -7.430 1.00 0.00 C ATOM 1002 C LYS A 67 77.917 11.920 -7.970 1.00 0.00 C ATOM 1003 O LYS A 67 79.023 11.494 -7.639 1.00 0.00 O ATOM 1004 CB LYS A 67 78.422 13.862 -6.454 1.00 0.00 C ATOM 1005 CG LYS A 67 79.514 14.617 -7.219 1.00 0.00 C ATOM 1006 CD LYS A 67 80.430 15.325 -6.217 1.00 0.00 C ATOM 1007 CE LYS A 67 81.551 16.043 -6.970 1.00 0.00 C ATOM 1008 NZ LYS A 67 82.451 16.719 -5.994 1.00 0.00 N1+ ATOM 0 H LYS A 67 75.364 13.632 -7.106 1.00 0.00 H new ATOM 0 HA LYS A 67 77.256 13.930 -8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 67 77.917 14.540 -5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 67 78.872 13.073 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 67 80.091 13.924 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 67 79.065 15.343 -7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 67 79.857 16.041 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 67 80.851 14.602 -5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 67 82.117 15.329 -7.569 1.00 0.00 H new ATOM 0 HE3 LYS A 67 81.130 16.774 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 83.213 17.207 -6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 81.906 17.411 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 82.862 16.011 -5.353 1.00 0.00 H new ATOM 1022 N VAL A 68 77.106 11.259 -8.800 1.00 0.00 N ATOM 1023 CA VAL A 68 77.497 9.969 -9.373 1.00 0.00 C ATOM 1024 C VAL A 68 78.149 10.138 -10.734 1.00 0.00 C ATOM 1025 O VAL A 68 78.192 11.230 -11.303 1.00 0.00 O ATOM 1026 CB VAL A 68 76.282 9.043 -9.529 1.00 0.00 C ATOM 1027 CG1 VAL A 68 75.861 8.502 -8.167 1.00 0.00 C ATOM 1028 CG2 VAL A 68 75.116 9.814 -10.155 1.00 0.00 C ATOM 0 H VAL A 68 76.185 11.591 -9.088 1.00 0.00 H new ATOM 0 HA VAL A 68 78.214 9.526 -8.682 1.00 0.00 H new ATOM 0 HB VAL A 68 76.555 8.211 -10.178 1.00 0.00 H new ATOM 0 HG11 VAL A 68 74.999 7.846 -8.287 1.00 0.00 H new ATOM 0 HG12 VAL A 68 76.686 7.941 -7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 68 75.597 9.332 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 68 74.258 9.151 -10.263 1.00 0.00 H new ATOM 0 HG22 VAL A 68 74.848 10.653 -9.513 1.00 0.00 H new ATOM 0 HG23 VAL A 68 75.411 10.187 -11.136 1.00 0.00 H new ATOM 1038 N THR A 69 78.630 9.017 -11.246 1.00 0.00 N ATOM 1039 CA THR A 69 79.271 8.957 -12.545 1.00 0.00 C ATOM 1040 C THR A 69 78.782 7.707 -13.259 1.00 0.00 C ATOM 1041 O THR A 69 78.326 6.762 -12.620 1.00 0.00 O ATOM 1042 CB THR A 69 80.793 8.896 -12.373 1.00 0.00 C ATOM 1043 OG1 THR A 69 81.408 8.715 -13.642 1.00 0.00 O ATOM 1044 CG2 THR A 69 81.156 7.724 -11.459 1.00 0.00 C ATOM 0 H THR A 69 78.585 8.118 -10.767 1.00 0.00 H new ATOM 0 HA THR A 69 79.023 9.844 -13.127 1.00 0.00 H new ATOM 0 HB THR A 69 81.145 9.827 -11.929 1.00 0.00 H new ATOM 0 HG1 THR A 69 82.381 8.678 -13.532 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.238 7.680 -11.336 1.00 0.00 H new ATOM 0 HG22 THR A 69 80.686 7.863 -10.485 1.00 0.00 H new ATOM 0 HG23 THR A 69 80.803 6.793 -11.903 1.00 0.00 H new ATOM 1052 N LEU A 70 78.866 7.701 -14.574 1.00 0.00 N ATOM 1053 CA LEU A 70 78.413 6.547 -15.339 1.00 0.00 C ATOM 1054 C LEU A 70 79.054 5.256 -14.825 1.00 0.00 C ATOM 1055 O LEU A 70 78.714 4.167 -15.286 1.00 0.00 O ATOM 1056 CB LEU A 70 78.765 6.740 -16.817 1.00 0.00 C ATOM 1057 CG LEU A 70 77.847 7.806 -17.438 1.00 0.00 C ATOM 1058 CD1 LEU A 70 78.417 8.232 -18.795 1.00 0.00 C ATOM 1059 CD2 LEU A 70 76.417 7.247 -17.629 1.00 0.00 C ATOM 0 H LEU A 70 79.238 8.469 -15.133 1.00 0.00 H new ATOM 0 HA LEU A 70 77.333 6.463 -15.222 1.00 0.00 H new ATOM 0 HB2 LEU A 70 79.807 7.043 -16.915 1.00 0.00 H new ATOM 0 HB3 LEU A 70 78.656 5.797 -17.352 1.00 0.00 H new ATOM 0 HG LEU A 70 77.798 8.665 -16.769 1.00 0.00 H new ATOM 0 HD11 LEU A 70 77.770 8.988 -19.240 1.00 0.00 H new ATOM 0 HD12 LEU A 70 79.416 8.645 -18.656 1.00 0.00 H new ATOM 0 HD13 LEU A 70 78.471 7.366 -19.455 1.00 0.00 H new ATOM 0 HD21 LEU A 70 75.782 8.015 -18.069 1.00 0.00 H new ATOM 0 HD22 LEU A 70 76.450 6.381 -18.290 1.00 0.00 H new ATOM 0 HD23 LEU A 70 76.010 6.950 -16.662 1.00 0.00 H new ATOM 1071 N GLU A 71 79.990 5.380 -13.878 1.00 0.00 N ATOM 1072 CA GLU A 71 80.680 4.204 -13.322 1.00 0.00 C ATOM 1073 C GLU A 71 80.339 3.988 -11.846 1.00 0.00 C ATOM 1074 O GLU A 71 80.877 3.081 -11.210 1.00 0.00 O ATOM 1075 CB GLU A 71 82.196 4.375 -13.482 1.00 0.00 C ATOM 1076 CG GLU A 71 82.570 4.365 -14.970 1.00 0.00 C ATOM 1077 CD GLU A 71 82.278 2.998 -15.583 1.00 0.00 C ATOM 1078 OE1 GLU A 71 82.155 2.928 -16.795 1.00 0.00 O ATOM 1079 OE2 GLU A 71 82.183 2.042 -14.830 1.00 0.00 O1- ATOM 0 H GLU A 71 80.287 6.272 -13.482 1.00 0.00 H new ATOM 0 HA GLU A 71 80.341 3.327 -13.873 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.515 5.311 -13.024 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.718 3.572 -12.962 1.00 0.00 H new ATOM 0 HG2 GLU A 71 82.008 5.135 -15.498 1.00 0.00 H new ATOM 0 HG3 GLU A 71 83.627 4.605 -15.088 1.00 0.00 H new ATOM 1086 N ASP A 72 79.462 4.826 -11.300 1.00 0.00 N ATOM 1087 CA ASP A 72 79.087 4.706 -9.893 1.00 0.00 C ATOM 1088 C ASP A 72 78.392 3.377 -9.606 1.00 0.00 C ATOM 1089 O ASP A 72 78.790 2.650 -8.696 1.00 0.00 O ATOM 1090 CB ASP A 72 78.162 5.862 -9.497 1.00 0.00 C ATOM 1091 CG ASP A 72 77.652 5.665 -8.071 1.00 0.00 C ATOM 1092 OD1 ASP A 72 76.458 5.468 -7.913 1.00 0.00 O ATOM 1093 OD2 ASP A 72 78.460 5.715 -7.161 1.00 0.00 O1- ATOM 0 H ASP A 72 79.003 5.586 -11.802 1.00 0.00 H new ATOM 0 HA ASP A 72 80.003 4.745 -9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 72 78.698 6.808 -9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 72 77.320 5.917 -10.188 1.00 0.00 H new ATOM 1098 N ALA A 73 77.349 3.063 -10.374 1.00 0.00 N ATOM 1099 CA ALA A 73 76.608 1.818 -10.167 1.00 0.00 C ATOM 1100 C ALA A 73 76.382 1.579 -8.672 1.00 0.00 C ATOM 1101 O ALA A 73 76.605 2.473 -7.857 1.00 0.00 O ATOM 1102 CB ALA A 73 77.387 0.645 -10.767 1.00 0.00 C ATOM 0 H ALA A 73 77.001 3.645 -11.136 1.00 0.00 H new ATOM 0 HA ALA A 73 75.640 1.898 -10.662 1.00 0.00 H new ATOM 0 HB1 ALA A 73 76.831 -0.279 -10.610 1.00 0.00 H new ATOM 0 HB2 ALA A 73 77.525 0.809 -11.836 1.00 0.00 H new ATOM 0 HB3 ALA A 73 78.361 0.569 -10.283 1.00 0.00 H new ATOM 1108 N GLY A 74 75.946 0.374 -8.309 1.00 0.00 N ATOM 1109 CA GLY A 74 75.716 0.064 -6.898 1.00 0.00 C ATOM 1110 C GLY A 74 74.738 -1.090 -6.710 1.00 0.00 C ATOM 1111 O GLY A 74 73.525 -0.891 -6.680 1.00 0.00 O ATOM 0 H GLY A 74 75.748 -0.389 -8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 74 76.665 -0.186 -6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 74 75.331 0.949 -6.392 1.00 0.00 H new ATOM 1115 N THR A 75 75.278 -2.297 -6.556 1.00 0.00 N ATOM 1116 CA THR A 75 74.446 -3.480 -6.340 1.00 0.00 C ATOM 1117 C THR A 75 74.236 -3.696 -4.843 1.00 0.00 C ATOM 1118 O THR A 75 75.067 -4.313 -4.177 1.00 0.00 O ATOM 1119 CB THR A 75 75.123 -4.711 -6.947 1.00 0.00 C ATOM 1120 OG1 THR A 75 76.440 -4.824 -6.433 1.00 0.00 O ATOM 1121 CG2 THR A 75 75.180 -4.569 -8.468 1.00 0.00 C ATOM 0 H THR A 75 76.281 -2.482 -6.576 1.00 0.00 H new ATOM 0 HA THR A 75 73.480 -3.329 -6.822 1.00 0.00 H new ATOM 0 HB THR A 75 74.552 -5.603 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 75 76.424 -4.700 -5.461 1.00 0.00 H new ATOM 0 HG21 THR A 75 75.663 -5.447 -8.898 1.00 0.00 H new ATOM 0 HG22 THR A 75 74.168 -4.481 -8.863 1.00 0.00 H new ATOM 0 HG23 THR A 75 75.750 -3.677 -8.729 1.00 0.00 H new ATOM 1129 N VAL A 76 73.129 -3.179 -4.317 1.00 0.00 N ATOM 1130 CA VAL A 76 72.833 -3.313 -2.893 1.00 0.00 C ATOM 1131 C VAL A 76 72.324 -4.712 -2.567 1.00 0.00 C ATOM 1132 O VAL A 76 71.731 -5.386 -3.408 1.00 0.00 O ATOM 1133 CB VAL A 76 71.794 -2.274 -2.469 1.00 0.00 C ATOM 1134 CG1 VAL A 76 71.757 -2.170 -0.943 1.00 0.00 C ATOM 1135 CG2 VAL A 76 72.167 -0.911 -3.059 1.00 0.00 C ATOM 0 H VAL A 76 72.426 -2.667 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 76 73.758 -3.145 -2.341 1.00 0.00 H new ATOM 0 HB VAL A 76 70.813 -2.578 -2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 76 71.015 -1.428 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 76 71.492 -3.138 -0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 76 72.738 -1.869 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 76 71.427 -0.169 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 76 73.150 -0.613 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 76 72.190 -0.979 -4.147 1.00 0.00 H new ATOM 1145 N SER A 77 72.566 -5.136 -1.331 1.00 0.00 N ATOM 1146 CA SER A 77 72.139 -6.453 -0.874 1.00 0.00 C ATOM 1147 C SER A 77 71.938 -6.449 0.638 1.00 0.00 C ATOM 1148 O SER A 77 72.578 -5.680 1.361 1.00 0.00 O ATOM 1149 CB SER A 77 73.185 -7.503 -1.252 1.00 0.00 C ATOM 1150 OG SER A 77 72.808 -8.761 -0.709 1.00 0.00 O ATOM 0 H SER A 77 73.057 -4.585 -0.627 1.00 0.00 H new ATOM 0 HA SER A 77 71.193 -6.699 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 77 73.270 -7.573 -2.336 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.164 -7.210 -0.873 1.00 0.00 H new ATOM 0 HG SER A 77 73.476 -9.436 -0.952 1.00 0.00 H new ATOM 1156 N PHE A 78 71.040 -7.312 1.109 1.00 0.00 N ATOM 1157 CA PHE A 78 70.739 -7.413 2.537 1.00 0.00 C ATOM 1158 C PHE A 78 70.765 -8.873 2.974 1.00 0.00 C ATOM 1159 O PHE A 78 70.373 -9.760 2.214 1.00 0.00 O ATOM 1160 CB PHE A 78 69.349 -6.833 2.791 1.00 0.00 C ATOM 1161 CG PHE A 78 69.289 -5.432 2.240 1.00 0.00 C ATOM 1162 CD1 PHE A 78 69.678 -4.351 3.033 1.00 0.00 C ATOM 1163 CD2 PHE A 78 68.853 -5.216 0.925 1.00 0.00 C ATOM 1164 CE1 PHE A 78 69.627 -3.052 2.516 1.00 0.00 C ATOM 1165 CE2 PHE A 78 68.802 -3.916 0.410 1.00 0.00 C ATOM 1166 CZ PHE A 78 69.191 -2.834 1.204 1.00 0.00 C ATOM 0 H PHE A 78 70.507 -7.953 0.522 1.00 0.00 H new ATOM 0 HA PHE A 78 71.486 -6.860 3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 78 68.590 -7.456 2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 78 69.134 -6.826 3.860 1.00 0.00 H new ATOM 0 HD1 PHE A 78 70.018 -4.517 4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 78 68.557 -6.053 0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.925 -2.215 3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 78 68.462 -3.749 -0.601 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.155 -1.831 0.806 1.00 0.00 H new ATOM 1176 N HIS A 79 71.228 -9.131 4.198 1.00 0.00 N ATOM 1177 CA HIS A 79 71.293 -10.509 4.702 1.00 0.00 C ATOM 1178 C HIS A 79 70.967 -10.578 6.192 1.00 0.00 C ATOM 1179 O HIS A 79 71.704 -10.048 7.024 1.00 0.00 O ATOM 1180 CB HIS A 79 72.693 -11.078 4.459 1.00 0.00 C ATOM 1181 CG HIS A 79 72.753 -12.506 4.932 1.00 0.00 C ATOM 1182 ND1 HIS A 79 71.955 -13.499 4.384 1.00 0.00 N ATOM 1183 CD2 HIS A 79 73.516 -13.125 5.891 1.00 0.00 C ATOM 1184 CE1 HIS A 79 72.253 -14.651 5.013 1.00 0.00 C ATOM 1185 NE2 HIS A 79 73.199 -14.480 5.940 1.00 0.00 N ATOM 0 H HIS A 79 71.559 -8.420 4.851 1.00 0.00 H new ATOM 0 HA HIS A 79 70.550 -11.099 4.166 1.00 0.00 H new ATOM 0 HB2 HIS A 79 72.937 -11.026 3.398 1.00 0.00 H new ATOM 0 HB3 HIS A 79 73.435 -10.479 4.987 1.00 0.00 H new ATOM 0 HD2 HIS A 79 74.251 -12.635 6.513 1.00 0.00 H new ATOM 0 HE1 HIS A 79 71.784 -15.599 4.794 1.00 0.00 H new ATOM 0 HE2 HIS A 79 73.602 -15.189 6.552 1.00 0.00 H new ATOM 1193 N VAL A 80 69.865 -11.262 6.524 1.00 0.00 N ATOM 1194 CA VAL A 80 69.451 -11.430 7.923 1.00 0.00 C ATOM 1195 C VAL A 80 69.180 -12.910 8.208 1.00 0.00 C ATOM 1196 O VAL A 80 68.552 -13.605 7.407 1.00 0.00 O ATOM 1197 CB VAL A 80 68.205 -10.586 8.226 1.00 0.00 C ATOM 1198 CG1 VAL A 80 67.082 -10.910 7.239 1.00 0.00 C ATOM 1199 CG2 VAL A 80 67.733 -10.861 9.659 1.00 0.00 C ATOM 0 H VAL A 80 69.246 -11.707 5.846 1.00 0.00 H new ATOM 0 HA VAL A 80 70.256 -11.085 8.572 1.00 0.00 H new ATOM 0 HB VAL A 80 68.463 -9.532 8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 80 66.208 -10.302 7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 80 67.416 -10.694 6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 80 66.821 -11.965 7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.848 -10.261 9.872 1.00 0.00 H new ATOM 0 HG22 VAL A 80 67.489 -11.918 9.765 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.526 -10.600 10.360 1.00 0.00 H new ATOM 1209 N GLY A 81 69.686 -13.386 9.343 1.00 0.00 N ATOM 1210 CA GLY A 81 69.532 -14.789 9.734 1.00 0.00 C ATOM 1211 C GLY A 81 68.161 -15.354 9.371 1.00 0.00 C ATOM 1212 O GLY A 81 67.991 -16.570 9.271 1.00 0.00 O ATOM 0 H GLY A 81 70.208 -12.820 10.012 1.00 0.00 H new ATOM 0 HA2 GLY A 81 70.306 -15.384 9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 81 69.686 -14.881 10.809 1.00 0.00 H new ATOM 1216 N THR A 82 67.183 -14.477 9.185 1.00 0.00 N ATOM 1217 CA THR A 82 65.828 -14.914 8.848 1.00 0.00 C ATOM 1218 C THR A 82 65.676 -15.126 7.344 1.00 0.00 C ATOM 1219 O THR A 82 65.620 -16.260 6.868 1.00 0.00 O ATOM 1220 CB THR A 82 64.819 -13.864 9.315 1.00 0.00 C ATOM 1221 OG1 THR A 82 65.085 -12.631 8.659 1.00 0.00 O ATOM 1222 CG2 THR A 82 64.939 -13.677 10.828 1.00 0.00 C ATOM 0 H THR A 82 67.297 -13.466 9.260 1.00 0.00 H new ATOM 0 HA THR A 82 65.641 -15.862 9.352 1.00 0.00 H new ATOM 0 HB THR A 82 63.809 -14.195 9.072 1.00 0.00 H new ATOM 0 HG1 THR A 82 64.287 -12.063 8.693 1.00 0.00 H new ATOM 0 HG21 THR A 82 64.220 -12.929 11.160 1.00 0.00 H new ATOM 0 HG22 THR A 82 64.735 -14.623 11.329 1.00 0.00 H new ATOM 0 HG23 THR A 82 65.948 -13.346 11.075 1.00 0.00 H new ATOM 1230 N CYS A 83 65.599 -14.023 6.605 1.00 0.00 N ATOM 1231 CA CYS A 83 65.440 -14.071 5.147 1.00 0.00 C ATOM 1232 C CYS A 83 66.503 -13.209 4.466 1.00 0.00 C ATOM 1233 O CYS A 83 67.473 -12.799 5.098 1.00 0.00 O ATOM 1234 CB CYS A 83 64.047 -13.563 4.768 1.00 0.00 C ATOM 1235 SG CYS A 83 62.793 -14.530 5.646 1.00 0.00 S ATOM 0 H CYS A 83 65.644 -13.079 6.990 1.00 0.00 H new ATOM 0 HA CYS A 83 65.558 -15.102 4.813 1.00 0.00 H new ATOM 0 HB2 CYS A 83 63.952 -12.507 5.022 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.898 -13.646 3.691 1.00 0.00 H new ATOM 0 HG CYS A 83 61.609 -14.098 5.326 1.00 0.00 H new ATOM 1241 N SER A 84 66.318 -12.936 3.174 1.00 0.00 N ATOM 1242 CA SER A 84 67.280 -12.120 2.432 1.00 0.00 C ATOM 1243 C SER A 84 66.625 -11.483 1.206 1.00 0.00 C ATOM 1244 O SER A 84 65.555 -11.908 0.772 1.00 0.00 O ATOM 1245 CB SER A 84 68.462 -12.984 1.992 1.00 0.00 C ATOM 1246 OG SER A 84 68.023 -13.927 1.023 1.00 0.00 O ATOM 0 H SER A 84 65.522 -13.263 2.626 1.00 0.00 H new ATOM 0 HA SER A 84 67.632 -11.324 3.089 1.00 0.00 H new ATOM 0 HB2 SER A 84 69.250 -12.357 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.889 -13.501 2.852 1.00 0.00 H new ATOM 0 HG SER A 84 68.780 -14.480 0.739 1.00 0.00 H new ATOM 1252 N SER A 85 67.276 -10.453 0.657 1.00 0.00 N ATOM 1253 CA SER A 85 66.748 -9.750 -0.517 1.00 0.00 C ATOM 1254 C SER A 85 67.878 -9.124 -1.331 1.00 0.00 C ATOM 1255 O SER A 85 69.017 -9.045 -0.869 1.00 0.00 O ATOM 1256 CB SER A 85 65.770 -8.659 -0.078 1.00 0.00 C ATOM 1257 OG SER A 85 66.385 -7.853 0.919 1.00 0.00 O ATOM 0 H SER A 85 68.164 -10.089 1.004 1.00 0.00 H new ATOM 0 HA SER A 85 66.229 -10.476 -1.142 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.483 -8.046 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.857 -9.108 0.313 1.00 0.00 H new ATOM 0 HG SER A 85 66.219 -6.907 0.724 1.00 0.00 H new ATOM 1263 N GLU A 86 67.562 -8.690 -2.555 1.00 0.00 N ATOM 1264 CA GLU A 86 68.568 -8.083 -3.435 1.00 0.00 C ATOM 1265 C GLU A 86 67.993 -6.914 -4.241 1.00 0.00 C ATOM 1266 O GLU A 86 66.787 -6.837 -4.480 1.00 0.00 O ATOM 1267 CB GLU A 86 69.110 -9.147 -4.395 1.00 0.00 C ATOM 1268 CG GLU A 86 67.983 -9.636 -5.308 1.00 0.00 C ATOM 1269 CD GLU A 86 68.468 -10.816 -6.145 1.00 0.00 C ATOM 1270 OE1 GLU A 86 67.751 -11.800 -6.217 1.00 0.00 O ATOM 1271 OE2 GLU A 86 69.550 -10.719 -6.701 1.00 0.00 O1- ATOM 0 H GLU A 86 66.626 -8.746 -2.957 1.00 0.00 H new ATOM 0 HA GLU A 86 69.369 -7.692 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 86 69.922 -8.733 -4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 86 69.524 -9.983 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 86 67.122 -9.933 -4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 86 67.655 -8.827 -5.960 1.00 0.00 H new ATOM 1278 N ALA A 87 68.883 -6.015 -4.662 1.00 0.00 N ATOM 1279 CA ALA A 87 68.499 -4.846 -5.455 1.00 0.00 C ATOM 1280 C ALA A 87 69.682 -4.408 -6.321 1.00 0.00 C ATOM 1281 O ALA A 87 70.833 -4.663 -5.966 1.00 0.00 O ATOM 1282 CB ALA A 87 68.090 -3.694 -4.532 1.00 0.00 C ATOM 0 H ALA A 87 69.882 -6.075 -4.465 1.00 0.00 H new ATOM 0 HA ALA A 87 67.654 -5.110 -6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.806 -2.830 -5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.244 -4.003 -3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 87 68.928 -3.429 -3.888 1.00 0.00 H new ATOM 1288 N GLN A 88 69.407 -3.756 -7.457 1.00 0.00 N ATOM 1289 CA GLN A 88 70.487 -3.304 -8.350 1.00 0.00 C ATOM 1290 C GLN A 88 70.289 -1.864 -8.817 1.00 0.00 C ATOM 1291 O GLN A 88 69.183 -1.447 -9.179 1.00 0.00 O ATOM 1292 CB GLN A 88 70.594 -4.229 -9.565 1.00 0.00 C ATOM 1293 CG GLN A 88 69.251 -4.299 -10.288 1.00 0.00 C ATOM 1294 CD GLN A 88 69.340 -5.283 -11.450 1.00 0.00 C ATOM 1295 OE1 GLN A 88 70.250 -6.110 -11.497 1.00 0.00 O ATOM 1296 NE2 GLN A 88 68.443 -5.244 -12.397 1.00 0.00 N ATOM 0 H GLN A 88 68.465 -3.531 -7.778 1.00 0.00 H new ATOM 0 HA GLN A 88 71.412 -3.341 -7.775 1.00 0.00 H new ATOM 0 HB2 GLN A 88 71.363 -3.863 -10.245 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.898 -5.226 -9.247 1.00 0.00 H new ATOM 0 HG2 GLN A 88 68.470 -4.611 -9.594 1.00 0.00 H new ATOM 0 HG3 GLN A 88 68.974 -3.311 -10.656 1.00 0.00 H new ATOM 0 HE21 GLN A 88 67.689 -4.558 -12.357 1.00 0.00 H new ATOM 0 HE22 GLN A 88 68.496 -5.899 -13.177 1.00 0.00 H new ATOM 1305 N LEU A 89 71.395 -1.115 -8.810 1.00 0.00 N ATOM 1306 CA LEU A 89 71.399 0.287 -9.236 1.00 0.00 C ATOM 1307 C LEU A 89 72.173 0.421 -10.543 1.00 0.00 C ATOM 1308 O LEU A 89 73.377 0.161 -10.593 1.00 0.00 O ATOM 1309 CB LEU A 89 72.074 1.152 -8.160 1.00 0.00 C ATOM 1310 CG LEU A 89 71.907 2.655 -8.481 1.00 0.00 C ATOM 1311 CD1 LEU A 89 70.560 3.162 -7.957 1.00 0.00 C ATOM 1312 CD2 LEU A 89 73.036 3.454 -7.814 1.00 0.00 C ATOM 0 H LEU A 89 72.307 -1.460 -8.511 1.00 0.00 H new ATOM 0 HA LEU A 89 70.371 0.620 -9.382 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.639 0.933 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 89 73.134 0.904 -8.099 1.00 0.00 H new ATOM 0 HG LEU A 89 71.947 2.788 -9.562 1.00 0.00 H new ATOM 0 HD11 LEU A 89 70.455 4.222 -8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 89 69.752 2.605 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 89 70.513 3.021 -6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 89 72.916 4.513 -8.042 1.00 0.00 H new ATOM 0 HD22 LEU A 89 72.996 3.308 -6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 89 73.998 3.109 -8.192 1.00 0.00 H new ATOM 1324 N LYS A 90 71.475 0.835 -11.600 1.00 0.00 N ATOM 1325 CA LYS A 90 72.091 1.015 -12.920 1.00 0.00 C ATOM 1326 C LYS A 90 71.970 2.471 -13.358 1.00 0.00 C ATOM 1327 O LYS A 90 71.177 3.228 -12.801 1.00 0.00 O ATOM 1328 CB LYS A 90 71.395 0.111 -13.950 1.00 0.00 C ATOM 1329 CG LYS A 90 72.296 -0.074 -15.176 1.00 0.00 C ATOM 1330 CD LYS A 90 71.659 -1.083 -16.144 1.00 0.00 C ATOM 1331 CE LYS A 90 70.417 -0.468 -16.807 1.00 0.00 C ATOM 1332 NZ LYS A 90 70.077 -1.243 -18.032 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.479 1.053 -11.570 1.00 0.00 H new ATOM 0 HA LYS A 90 73.145 0.745 -12.856 1.00 0.00 H new ATOM 0 HB2 LYS A 90 71.171 -0.858 -13.504 1.00 0.00 H new ATOM 0 HB3 LYS A 90 70.444 0.552 -14.250 1.00 0.00 H new ATOM 0 HG2 LYS A 90 72.443 0.882 -15.678 1.00 0.00 H new ATOM 0 HG3 LYS A 90 73.280 -0.426 -14.866 1.00 0.00 H new ATOM 0 HD2 LYS A 90 72.382 -1.373 -16.907 1.00 0.00 H new ATOM 0 HD3 LYS A 90 71.382 -1.990 -15.606 1.00 0.00 H new ATOM 0 HE2 LYS A 90 69.577 -0.478 -16.112 1.00 0.00 H new ATOM 0 HE3 LYS A 90 70.606 0.574 -17.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 69.236 -0.829 -18.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 70.877 -1.211 -18.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 69.880 -2.231 -17.774 1.00 0.00 H new ATOM 1346 N VAL A 91 72.756 2.858 -14.364 1.00 0.00 N ATOM 1347 CA VAL A 91 72.722 4.226 -14.882 1.00 0.00 C ATOM 1348 C VAL A 91 72.433 4.220 -16.381 1.00 0.00 C ATOM 1349 O VAL A 91 73.090 3.520 -17.150 1.00 0.00 O ATOM 1350 CB VAL A 91 74.061 4.919 -14.606 1.00 0.00 C ATOM 1351 CG1 VAL A 91 74.161 5.253 -13.115 1.00 0.00 C ATOM 1352 CG2 VAL A 91 75.214 3.989 -14.992 1.00 0.00 C ATOM 0 H VAL A 91 73.422 2.245 -14.835 1.00 0.00 H new ATOM 0 HA VAL A 91 71.926 4.774 -14.378 1.00 0.00 H new ATOM 0 HB VAL A 91 74.121 5.834 -15.195 1.00 0.00 H new ATOM 0 HG11 VAL A 91 75.112 5.746 -12.916 1.00 0.00 H new ATOM 0 HG12 VAL A 91 73.343 5.917 -12.835 1.00 0.00 H new ATOM 0 HG13 VAL A 91 74.099 4.334 -12.531 1.00 0.00 H new ATOM 0 HG21 VAL A 91 76.164 4.486 -14.794 1.00 0.00 H new ATOM 0 HG22 VAL A 91 75.154 3.073 -14.405 1.00 0.00 H new ATOM 0 HG23 VAL A 91 75.146 3.746 -16.052 1.00 0.00 H new ATOM 1362 N THR A 92 71.435 5.001 -16.789 1.00 0.00 N ATOM 1363 CA THR A 92 71.060 5.069 -18.199 1.00 0.00 C ATOM 1364 C THR A 92 72.098 5.855 -19.000 1.00 0.00 C ATOM 1365 O THR A 92 72.534 6.928 -18.586 1.00 0.00 O ATOM 1366 CB THR A 92 69.680 5.728 -18.338 1.00 0.00 C ATOM 1367 OG1 THR A 92 68.687 4.859 -17.811 1.00 0.00 O ATOM 1368 CG2 THR A 92 69.373 6.005 -19.814 1.00 0.00 C ATOM 0 H THR A 92 70.877 5.590 -16.171 1.00 0.00 H new ATOM 0 HA THR A 92 71.018 4.055 -18.596 1.00 0.00 H new ATOM 0 HB THR A 92 69.680 6.670 -17.789 1.00 0.00 H new ATOM 0 HG1 THR A 92 67.806 5.279 -17.897 1.00 0.00 H new ATOM 0 HG21 THR A 92 68.392 6.472 -19.900 1.00 0.00 H new ATOM 0 HG22 THR A 92 70.130 6.673 -20.224 1.00 0.00 H new ATOM 0 HG23 THR A 92 69.378 5.067 -20.369 1.00 0.00 H new ATOM 1376 N ALA A 93 72.486 5.313 -20.151 1.00 0.00 N ATOM 1377 CA ALA A 93 73.470 5.973 -21.003 1.00 0.00 C ATOM 1378 C ALA A 93 72.901 7.272 -21.567 1.00 0.00 C ATOM 1379 O ALA A 93 71.697 7.386 -21.789 1.00 0.00 O ATOM 1380 CB ALA A 93 73.873 5.047 -22.155 1.00 0.00 C ATOM 0 H ALA A 93 72.137 4.425 -20.513 1.00 0.00 H new ATOM 0 HA ALA A 93 74.349 6.203 -20.400 1.00 0.00 H new ATOM 0 HB1 ALA A 93 74.608 5.549 -22.785 1.00 0.00 H new ATOM 0 HB2 ALA A 93 74.306 4.131 -21.752 1.00 0.00 H new ATOM 0 HB3 ALA A 93 72.993 4.801 -22.749 1.00 0.00 H new ATOM 1386 N GLY A 94 73.772 8.250 -21.794 1.00 0.00 N ATOM 1387 CA GLY A 94 73.334 9.535 -22.330 1.00 0.00 C ATOM 1388 C GLY A 94 74.491 10.526 -22.392 1.00 0.00 C ATOM 1389 O GLY A 94 74.396 11.560 -21.747 1.00 0.00 O ATOM 0 H GLY A 94 74.774 8.180 -21.618 1.00 0.00 H new ATOM 0 HA2 GLY A 94 72.918 9.394 -23.328 1.00 0.00 H new ATOM 0 HA3 GLY A 94 72.537 9.940 -21.707 1.00 0.00 H new TER 1393 GLY A 94