USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 567 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 55 ASN : amide:sc= -0.291 K(o=-0.92,f=-3.1!) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= -0.631 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= -0.637! (180deg=-1.57!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.0371 K(o=0.037,f=-7.1!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -107:sc= -23.5! (180deg=-27.1!) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 0.0402 (180deg=-0.563!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= 1.2 (180deg=1.09) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -130:sc= -1.32 (180deg=-5.97!) USER MOD Single : A 43 HIS : no HD1:sc= -4.23! C(o=-4.2!,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.68 X(o=-1.7,f=-1.6) USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= -1.02 (180deg=-1.18) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.47) USER MOD Single : A 69 THR OG1 : rot 60:sc= -14.7! USER MOD Single : A 70 LYS NZ :NH3+ -115:sc= -0.0454 (180deg=-2.22!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.560 -3.699 2.452 1.00 0.00 N ATOM 2 CA MET A 1 16.823 -2.789 1.579 1.00 0.00 C ATOM 3 C MET A 1 16.492 -1.485 2.334 1.00 0.00 C ATOM 4 O MET A 1 16.510 -1.471 3.565 1.00 0.00 O ATOM 5 CB MET A 1 15.556 -3.465 1.047 1.00 0.00 C ATOM 6 CG MET A 1 14.907 -4.393 2.035 1.00 0.00 C ATOM 7 SD MET A 1 14.174 -5.842 1.253 1.00 0.00 S ATOM 8 CE MET A 1 15.333 -7.110 1.753 1.00 0.00 C ATOM 0 H1 MET A 1 17.530 -4.660 2.056 1.00 0.00 H new ATOM 0 H2 MET A 1 18.549 -3.385 2.525 1.00 0.00 H new ATOM 0 H3 MET A 1 17.127 -3.700 3.397 1.00 0.00 H new ATOM 0 HA MET A 1 17.446 -2.535 0.721 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.839 -2.697 0.758 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.804 -4.025 0.145 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.649 -4.716 2.765 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.135 -3.852 2.583 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.018 -8.071 1.347 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.326 -6.865 1.376 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.362 -7.168 2.841 1.00 0.00 H new ATOM 18 N ASP A 2 16.225 -0.382 1.613 1.00 0.00 N ATOM 19 CA ASP A 2 15.941 0.905 2.265 1.00 0.00 C ATOM 20 C ASP A 2 14.749 1.574 1.623 1.00 0.00 C ATOM 21 O ASP A 2 14.490 1.372 0.455 1.00 0.00 O ATOM 22 CB ASP A 2 17.158 1.827 2.209 1.00 0.00 C ATOM 23 CG ASP A 2 17.278 2.701 3.441 1.00 0.00 C ATOM 24 OD1 ASP A 2 16.256 2.892 4.134 1.00 0.00 O ATOM 25 OD2 ASP A 2 18.391 3.194 3.714 1.00 0.00 O ATOM 0 H ASP A 2 16.200 -0.356 0.594 1.00 0.00 H new ATOM 0 HA ASP A 2 15.709 0.707 3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 2 18.061 1.226 2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 2 17.091 2.459 1.324 1.00 0.00 H new ATOM 30 N LEU A 3 13.983 2.338 2.366 1.00 0.00 N ATOM 31 CA LEU A 3 12.822 2.949 1.751 1.00 0.00 C ATOM 32 C LEU A 3 12.848 4.470 1.693 1.00 0.00 C ATOM 33 O LEU A 3 12.695 5.135 2.719 1.00 0.00 O ATOM 34 CB LEU A 3 11.564 2.505 2.492 1.00 0.00 C ATOM 35 CG LEU A 3 10.376 2.046 1.637 1.00 0.00 C ATOM 36 CD1 LEU A 3 9.386 3.182 1.453 1.00 0.00 C ATOM 37 CD2 LEU A 3 10.815 1.506 0.282 1.00 0.00 C ATOM 0 H LEU A 3 14.129 2.547 3.354 1.00 0.00 H new ATOM 0 HA LEU A 3 12.829 2.609 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.836 1.688 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.231 3.332 3.119 1.00 0.00 H new ATOM 0 HG LEU A 3 9.892 1.229 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.549 2.840 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.018 3.505 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.879 4.017 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.939 1.194 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.344 2.285 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.476 0.652 0.428 1.00 0.00 H new ATOM 49 N ILE A 4 12.926 5.024 0.483 1.00 0.00 N ATOM 50 CA ILE A 4 12.823 6.482 0.345 1.00 0.00 C ATOM 51 C ILE A 4 11.524 6.774 -0.374 1.00 0.00 C ATOM 52 O ILE A 4 11.354 6.442 -1.548 1.00 0.00 O ATOM 53 CB ILE A 4 13.968 7.087 -0.465 1.00 0.00 C ATOM 54 CG1 ILE A 4 15.229 6.253 -0.296 1.00 0.00 C ATOM 55 CG2 ILE A 4 14.213 8.529 -0.046 1.00 0.00 C ATOM 56 CD1 ILE A 4 15.724 6.195 1.133 1.00 0.00 C ATOM 0 H ILE A 4 13.055 4.510 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 4 12.865 6.923 1.341 1.00 0.00 H new ATOM 0 HB ILE A 4 13.692 7.083 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 4 15.035 5.239 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 4 16.015 6.664 -0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 4 15.032 8.944 -0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 4 13.310 9.116 -0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 4 14.472 8.561 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 4 16.626 5.584 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 4 15.949 7.203 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 4 14.954 5.756 1.767 1.00 0.00 H new ATOM 68 N ILE A 5 10.591 7.324 0.366 1.00 0.00 N ATOM 69 CA ILE A 5 9.263 7.587 -0.154 1.00 0.00 C ATOM 70 C ILE A 5 8.795 9.042 -0.306 1.00 0.00 C ATOM 71 O ILE A 5 9.009 9.886 0.563 1.00 0.00 O ATOM 72 CB ILE A 5 8.227 6.771 0.602 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.655 6.504 2.050 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.007 5.466 -0.129 1.00 0.00 C ATOM 75 CD1 ILE A 5 9.050 7.742 2.830 1.00 0.00 C ATOM 0 H ILE A 5 10.725 7.601 1.338 1.00 0.00 H new ATOM 0 HA ILE A 5 9.360 7.272 -1.193 1.00 0.00 H new ATOM 0 HB ILE A 5 7.299 7.341 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.836 6.008 2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.496 5.810 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.265 4.871 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.651 5.670 -1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.946 4.915 -0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.338 7.458 3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.891 8.230 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.206 8.430 2.872 1.00 0.00 H new ATOM 87 N LYS A 6 8.033 9.266 -1.379 1.00 0.00 N ATOM 88 CA LYS A 6 7.363 10.538 -1.644 1.00 0.00 C ATOM 89 C LYS A 6 5.859 10.216 -1.693 1.00 0.00 C ATOM 90 O LYS A 6 5.203 10.327 -2.727 1.00 0.00 O ATOM 91 CB LYS A 6 7.833 11.160 -2.962 1.00 0.00 C ATOM 92 CG LYS A 6 7.973 12.673 -2.905 1.00 0.00 C ATOM 93 CD LYS A 6 6.626 13.365 -3.065 1.00 0.00 C ATOM 94 CE LYS A 6 6.153 13.975 -1.756 1.00 0.00 C ATOM 95 NZ LYS A 6 5.039 14.941 -1.963 1.00 0.00 N ATOM 0 H LYS A 6 7.863 8.560 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 6 7.594 11.270 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.794 10.725 -3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.127 10.898 -3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.421 12.962 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.650 13.007 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.704 14.144 -3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.887 12.647 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.825 13.182 -1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.987 14.481 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.746 15.334 -1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.359 15.712 -2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.233 14.453 -2.404 1.00 0.00 H new ATOM 109 N GLU A 7 5.382 9.703 -0.554 1.00 0.00 N ATOM 110 CA GLU A 7 4.009 9.199 -0.363 1.00 0.00 C ATOM 111 C GLU A 7 2.873 10.237 -0.375 1.00 0.00 C ATOM 112 O GLU A 7 2.959 11.276 0.278 1.00 0.00 O ATOM 113 CB GLU A 7 4.003 8.379 0.930 1.00 0.00 C ATOM 114 CG GLU A 7 5.246 7.499 1.065 1.00 0.00 C ATOM 115 CD GLU A 7 6.217 8.114 2.056 1.00 0.00 C ATOM 116 OE1 GLU A 7 6.823 9.153 1.719 1.00 0.00 O ATOM 117 OE2 GLU A 7 6.365 7.570 3.162 1.00 0.00 O ATOM 0 H GLU A 7 5.953 9.623 0.287 1.00 0.00 H new ATOM 0 HA GLU A 7 3.774 8.601 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.943 9.053 1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.112 7.752 0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.960 6.501 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.728 7.386 0.094 1.00 0.00 H new ATOM 124 N LYS A 8 1.772 9.901 -1.104 1.00 0.00 N ATOM 125 CA LYS A 8 0.597 10.741 -1.173 1.00 0.00 C ATOM 126 C LYS A 8 -0.620 9.824 -1.022 1.00 0.00 C ATOM 127 O LYS A 8 -0.702 8.809 -1.703 1.00 0.00 O ATOM 128 CB LYS A 8 0.538 11.499 -2.503 1.00 0.00 C ATOM 129 CG LYS A 8 1.863 12.125 -2.910 1.00 0.00 C ATOM 130 CD LYS A 8 2.041 12.118 -4.420 1.00 0.00 C ATOM 131 CE LYS A 8 1.661 13.457 -5.033 1.00 0.00 C ATOM 132 NZ LYS A 8 2.858 14.283 -5.351 1.00 0.00 N ATOM 0 H LYS A 8 1.699 9.041 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 8 0.620 11.491 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.214 10.815 -3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.217 12.282 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.911 13.150 -2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.683 11.580 -2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.078 11.886 -4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.427 11.330 -4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.084 13.289 -5.942 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.017 14.002 -4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.555 15.187 -5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.395 14.465 -4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.460 13.774 -6.029 1.00 0.00 H new ATOM 146 N ARG A 9 -1.535 10.123 -0.106 1.00 0.00 N ATOM 147 CA ARG A 9 -2.675 9.223 0.100 1.00 0.00 C ATOM 148 C ARG A 9 -4.029 9.922 0.073 1.00 0.00 C ATOM 149 O ARG A 9 -4.228 10.951 0.719 1.00 0.00 O ATOM 150 CB ARG A 9 -2.516 8.493 1.434 1.00 0.00 C ATOM 151 CG ARG A 9 -2.239 9.420 2.606 1.00 0.00 C ATOM 152 CD ARG A 9 -2.840 8.883 3.893 1.00 0.00 C ATOM 153 NE ARG A 9 -2.071 9.287 5.068 1.00 0.00 N ATOM 154 CZ ARG A 9 -2.553 9.278 6.309 1.00 0.00 C ATOM 155 NH1 ARG A 9 -3.799 8.883 6.541 1.00 0.00 N ATOM 156 NH2 ARG A 9 -1.786 9.660 7.320 1.00 0.00 N ATOM 0 H ARG A 9 -1.518 10.951 0.490 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.666 8.526 -0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.423 7.925 1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.701 7.774 1.350 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.163 9.542 2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.650 10.407 2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.865 9.240 3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.885 7.795 3.846 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.108 9.594 4.929 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.392 8.584 5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.163 8.878 7.494 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.827 9.961 7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.155 9.653 8.271 1.00 0.00 H new ATOM 170 N ASP A 10 -4.974 9.312 -0.646 1.00 0.00 N ATOM 171 CA ASP A 10 -6.333 9.824 -0.721 1.00 0.00 C ATOM 172 C ASP A 10 -7.307 8.711 -0.344 1.00 0.00 C ATOM 173 O ASP A 10 -7.424 7.679 -1.036 1.00 0.00 O ATOM 174 CB ASP A 10 -6.638 10.341 -2.128 1.00 0.00 C ATOM 175 CG ASP A 10 -7.810 11.302 -2.149 1.00 0.00 C ATOM 176 OD1 ASP A 10 -8.957 10.844 -1.965 1.00 0.00 O ATOM 177 OD2 ASP A 10 -7.580 12.514 -2.349 1.00 0.00 O ATOM 0 H ASP A 10 -4.816 8.460 -1.184 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.442 10.656 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.755 10.840 -2.528 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.852 9.497 -2.784 1.00 0.00 H new ATOM 182 N ASN A 11 -8.023 8.889 0.749 1.00 0.00 N ATOM 183 CA ASN A 11 -8.944 7.851 1.134 1.00 0.00 C ATOM 184 C ASN A 11 -10.386 8.330 1.148 1.00 0.00 C ATOM 185 O ASN A 11 -10.787 9.113 2.013 1.00 0.00 O ATOM 186 CB ASN A 11 -8.574 7.344 2.530 1.00 0.00 C ATOM 187 CG ASN A 11 -8.390 8.470 3.529 1.00 0.00 C ATOM 188 OD1 ASN A 11 -8.444 9.648 3.173 1.00 0.00 O ATOM 189 ND2 ASN A 11 -8.169 8.112 4.788 1.00 0.00 N ATOM 0 H ASN A 11 -7.987 9.706 1.359 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.867 7.054 0.394 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.353 6.671 2.886 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.654 6.763 2.469 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.036 8.825 5.505 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.132 7.124 5.038 1.00 0.00 H new ATOM 196 N PRO A 12 -11.202 7.812 0.222 1.00 0.00 N ATOM 197 CA PRO A 12 -12.605 8.102 0.135 1.00 0.00 C ATOM 198 C PRO A 12 -13.363 6.899 0.698 1.00 0.00 C ATOM 199 O PRO A 12 -13.118 6.498 1.836 1.00 0.00 O ATOM 200 CB PRO A 12 -12.773 8.244 -1.377 1.00 0.00 C ATOM 201 CG PRO A 12 -11.823 7.231 -1.949 1.00 0.00 C ATOM 202 CD PRO A 12 -10.837 6.875 -0.851 1.00 0.00 C ATOM 0 HA PRO A 12 -12.967 8.973 0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.800 8.045 -1.684 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.530 9.252 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.361 6.345 -2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.303 7.637 -2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.939 5.837 -0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.805 7.010 -1.174 1.00 0.00 H new ATOM 210 N ILE A 13 -14.234 6.287 -0.092 1.00 0.00 N ATOM 211 CA ILE A 13 -14.938 5.104 0.364 1.00 0.00 C ATOM 212 C ILE A 13 -13.992 3.898 0.428 1.00 0.00 C ATOM 213 O ILE A 13 -14.104 3.056 1.321 1.00 0.00 O ATOM 214 CB ILE A 13 -16.149 4.761 -0.537 1.00 0.00 C ATOM 215 CG1 ILE A 13 -15.723 3.882 -1.725 1.00 0.00 C ATOM 216 CG2 ILE A 13 -16.841 6.029 -1.020 1.00 0.00 C ATOM 217 CD1 ILE A 13 -15.033 4.637 -2.843 1.00 0.00 C ATOM 0 H ILE A 13 -14.466 6.587 -1.039 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.312 5.328 1.363 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.862 4.193 0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -15.054 3.101 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -16.605 3.384 -2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -17.689 5.763 -1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -17.193 6.601 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -16.137 6.632 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.766 3.943 -3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.705 5.400 -3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.131 5.112 -2.458 1.00 0.00 H new ATOM 229 N LEU A 14 -13.090 3.800 -0.561 1.00 0.00 N ATOM 230 CA LEU A 14 -12.164 2.666 -0.645 1.00 0.00 C ATOM 231 C LEU A 14 -10.808 2.940 -0.073 1.00 0.00 C ATOM 232 O LEU A 14 -9.992 2.019 0.018 1.00 0.00 O ATOM 233 CB LEU A 14 -12.087 2.118 -2.080 1.00 0.00 C ATOM 234 CG LEU A 14 -10.970 2.681 -2.969 1.00 0.00 C ATOM 235 CD1 LEU A 14 -10.868 4.193 -2.828 1.00 0.00 C ATOM 236 CD2 LEU A 14 -9.641 2.016 -2.645 1.00 0.00 C ATOM 0 H LEU A 14 -12.984 4.488 -1.307 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.584 1.889 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.967 1.036 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.042 2.309 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.220 2.459 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.069 4.565 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.812 4.650 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.650 4.448 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.862 2.429 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.387 2.200 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.720 0.942 -2.816 1.00 0.00 H new ATOM 248 N LYS A 15 -10.580 4.132 0.444 1.00 0.00 N ATOM 249 CA LYS A 15 -9.331 4.335 1.134 1.00 0.00 C ATOM 250 C LYS A 15 -8.097 4.044 0.258 1.00 0.00 C ATOM 251 O LYS A 15 -7.266 3.214 0.630 1.00 0.00 O ATOM 252 CB LYS A 15 -9.409 3.388 2.328 1.00 0.00 C ATOM 253 CG LYS A 15 -10.008 4.024 3.564 1.00 0.00 C ATOM 254 CD LYS A 15 -11.498 4.297 3.357 1.00 0.00 C ATOM 255 CE LYS A 15 -12.132 4.904 4.598 1.00 0.00 C ATOM 256 NZ LYS A 15 -12.644 3.861 5.527 1.00 0.00 N ATOM 0 H LYS A 15 -11.209 4.934 0.403 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.203 5.378 1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.004 2.517 2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.407 3.029 2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.868 3.367 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.489 4.956 3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.631 4.973 2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.008 3.367 3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.398 5.522 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.950 5.561 4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.068 4.316 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.363 3.287 5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.859 3.249 5.829 1.00 0.00 H new ATOM 270 N ARG A 16 -7.988 4.673 -0.924 1.00 0.00 N ATOM 271 CA ARG A 16 -6.862 4.388 -1.824 1.00 0.00 C ATOM 272 C ARG A 16 -5.789 5.468 -1.790 1.00 0.00 C ATOM 273 O ARG A 16 -6.078 6.656 -1.911 1.00 0.00 O ATOM 274 CB ARG A 16 -7.367 4.222 -3.260 1.00 0.00 C ATOM 275 CG ARG A 16 -6.705 3.077 -4.011 1.00 0.00 C ATOM 276 CD ARG A 16 -6.928 3.189 -5.511 1.00 0.00 C ATOM 277 NE ARG A 16 -5.675 3.392 -6.236 1.00 0.00 N ATOM 278 CZ ARG A 16 -5.596 3.523 -7.559 1.00 0.00 C ATOM 279 NH1 ARG A 16 -6.694 3.480 -8.304 1.00 0.00 N ATOM 280 NH2 ARG A 16 -4.417 3.703 -8.138 1.00 0.00 N ATOM 0 H ARG A 16 -8.650 5.367 -1.272 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.406 3.463 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.444 4.057 -3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.196 5.150 -3.806 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.635 3.073 -3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.103 2.128 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.415 2.284 -5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.604 4.019 -5.716 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.810 3.436 -5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.604 3.346 -7.864 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.627 3.581 -9.317 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.571 3.741 -7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.356 3.803 -9.151 1.00 0.00 H new ATOM 294 N LYS A 17 -4.533 5.059 -1.651 1.00 0.00 N ATOM 295 CA LYS A 17 -3.449 6.035 -1.627 1.00 0.00 C ATOM 296 C LYS A 17 -2.442 5.785 -2.755 1.00 0.00 C ATOM 297 O LYS A 17 -2.285 4.639 -3.214 1.00 0.00 O ATOM 298 CB LYS A 17 -2.794 6.042 -0.248 1.00 0.00 C ATOM 299 CG LYS A 17 -2.269 4.690 0.193 1.00 0.00 C ATOM 300 CD LYS A 17 -0.789 4.757 0.513 1.00 0.00 C ATOM 301 CE LYS A 17 0.045 4.366 -0.693 1.00 0.00 C ATOM 302 NZ LYS A 17 -0.075 5.354 -1.776 1.00 0.00 N ATOM 0 H LYS A 17 -4.244 4.085 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.861 7.028 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.971 6.756 -0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.519 6.395 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.819 4.352 1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.441 3.955 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.527 5.767 0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.563 4.093 1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.090 4.273 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.273 3.388 -1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.654 4.959 -2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.527 6.217 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.871 5.586 -2.140 1.00 0.00 H new ATOM 316 N GLU A 18 -1.728 6.860 -3.176 1.00 0.00 N ATOM 317 CA GLU A 18 -0.721 6.775 -4.229 1.00 0.00 C ATOM 318 C GLU A 18 0.547 7.446 -3.751 1.00 0.00 C ATOM 319 O GLU A 18 0.588 8.657 -3.545 1.00 0.00 O ATOM 320 CB GLU A 18 -1.207 7.427 -5.529 1.00 0.00 C ATOM 321 CG GLU A 18 -2.663 7.866 -5.503 1.00 0.00 C ATOM 322 CD GLU A 18 -3.104 8.499 -6.809 1.00 0.00 C ATOM 323 OE1 GLU A 18 -2.477 9.492 -7.229 1.00 0.00 O ATOM 324 OE2 GLU A 18 -4.079 7.999 -7.411 1.00 0.00 O ATOM 0 H GLU A 18 -1.843 7.797 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.530 5.724 -4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.582 8.294 -5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.067 6.723 -6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.295 7.004 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.810 8.578 -4.691 1.00 0.00 H new ATOM 331 N ILE A 19 1.562 6.650 -3.532 1.00 0.00 N ATOM 332 CA ILE A 19 2.818 7.140 -3.015 1.00 0.00 C ATOM 333 C ILE A 19 3.992 6.631 -3.829 1.00 0.00 C ATOM 334 O ILE A 19 3.932 5.554 -4.405 1.00 0.00 O ATOM 335 CB ILE A 19 3.006 6.796 -1.515 1.00 0.00 C ATOM 336 CG1 ILE A 19 3.452 5.366 -1.293 1.00 0.00 C ATOM 337 CG2 ILE A 19 1.737 7.086 -0.715 1.00 0.00 C ATOM 338 CD1 ILE A 19 2.689 4.354 -2.092 1.00 0.00 C ATOM 0 H ILE A 19 1.543 5.645 -3.706 1.00 0.00 H new ATOM 0 HA ILE A 19 2.787 8.226 -3.103 1.00 0.00 H new ATOM 0 HB ILE A 19 3.805 7.443 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.510 5.285 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.353 5.126 -0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.902 6.834 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.488 8.144 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.915 6.487 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.070 3.356 -1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.633 4.404 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.808 4.565 -3.155 1.00 0.00 H new ATOM 350 N LYS A 20 5.047 7.422 -3.897 1.00 0.00 N ATOM 351 CA LYS A 20 6.235 7.026 -4.660 1.00 0.00 C ATOM 352 C LYS A 20 7.287 6.447 -3.706 1.00 0.00 C ATOM 353 O LYS A 20 7.476 6.962 -2.611 1.00 0.00 O ATOM 354 CB LYS A 20 6.797 8.227 -5.421 1.00 0.00 C ATOM 355 CG LYS A 20 8.214 8.601 -5.022 1.00 0.00 C ATOM 356 CD LYS A 20 9.203 8.292 -6.131 1.00 0.00 C ATOM 357 CE LYS A 20 10.248 9.386 -6.270 1.00 0.00 C ATOM 358 NZ LYS A 20 10.965 9.633 -4.989 1.00 0.00 N ATOM 0 H LYS A 20 5.114 8.333 -3.442 1.00 0.00 H new ATOM 0 HA LYS A 20 5.961 6.261 -5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.776 8.010 -6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.146 9.085 -5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.257 9.663 -4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.495 8.057 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.696 7.342 -5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.669 8.177 -7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.967 9.106 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.768 10.307 -6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.858 10.129 -5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.372 10.217 -4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.167 8.725 -4.523 1.00 0.00 H new ATOM 372 N TYR A 21 7.930 5.342 -4.093 1.00 0.00 N ATOM 373 CA TYR A 21 8.914 4.711 -3.205 1.00 0.00 C ATOM 374 C TYR A 21 10.163 4.147 -3.908 1.00 0.00 C ATOM 375 O TYR A 21 10.088 3.638 -5.025 1.00 0.00 O ATOM 376 CB TYR A 21 8.192 3.603 -2.427 1.00 0.00 C ATOM 377 CG TYR A 21 8.135 2.268 -3.148 1.00 0.00 C ATOM 378 CD1 TYR A 21 7.891 2.197 -4.515 1.00 0.00 C ATOM 379 CD2 TYR A 21 8.331 1.085 -2.457 1.00 0.00 C ATOM 380 CE1 TYR A 21 7.844 0.980 -5.168 1.00 0.00 C ATOM 381 CE2 TYR A 21 8.286 -0.136 -3.101 1.00 0.00 C ATOM 382 CZ TYR A 21 8.042 -0.183 -4.458 1.00 0.00 C ATOM 383 OH TYR A 21 7.998 -1.397 -5.104 1.00 0.00 O ATOM 0 H TYR A 21 7.794 4.875 -4.990 1.00 0.00 H new ATOM 0 HA TYR A 21 9.304 5.490 -2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.692 3.464 -1.468 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.175 3.930 -2.212 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.736 3.107 -5.075 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.523 1.117 -1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.653 0.941 -6.230 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.441 -1.049 -2.545 1.00 0.00 H new ATOM 0 HH TYR A 21 8.159 -2.117 -4.459 1.00 0.00 H new ATOM 393 N VAL A 22 11.292 4.148 -3.180 1.00 0.00 N ATOM 394 CA VAL A 22 12.537 3.535 -3.659 1.00 0.00 C ATOM 395 C VAL A 22 13.064 2.634 -2.558 1.00 0.00 C ATOM 396 O VAL A 22 13.080 3.016 -1.390 1.00 0.00 O ATOM 397 CB VAL A 22 13.677 4.519 -4.079 1.00 0.00 C ATOM 398 CG1 VAL A 22 14.299 5.200 -2.877 1.00 0.00 C ATOM 399 CG2 VAL A 22 14.784 3.780 -4.848 1.00 0.00 C ATOM 0 H VAL A 22 11.365 4.569 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 22 12.270 3.006 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 22 13.219 5.273 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.087 5.876 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.535 5.767 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.723 4.448 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.565 4.486 -5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.209 3.001 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.363 3.328 -5.746 1.00 0.00 H new ATOM 409 N LEU A 23 13.502 1.451 -2.927 1.00 0.00 N ATOM 410 CA LEU A 23 14.028 0.523 -1.996 1.00 0.00 C ATOM 411 C LEU A 23 15.511 0.463 -2.242 1.00 0.00 C ATOM 412 O LEU A 23 15.935 0.177 -3.362 1.00 0.00 O ATOM 413 CB LEU A 23 13.394 -0.860 -2.226 1.00 0.00 C ATOM 414 CG LEU A 23 13.767 -1.939 -1.204 1.00 0.00 C ATOM 415 CD1 LEU A 23 12.738 -2.001 -0.085 1.00 0.00 C ATOM 416 CD2 LEU A 23 13.895 -3.303 -1.873 1.00 0.00 C ATOM 0 H LEU A 23 13.496 1.119 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 23 13.814 0.822 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.310 -0.747 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.680 -1.210 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 23 14.733 -1.672 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.023 -2.774 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.693 -1.037 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.759 -2.237 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.160 -4.051 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.945 -3.572 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.671 -3.262 -2.637 1.00 0.00 H new ATOM 428 N LYS A 24 16.310 0.736 -1.235 1.00 0.00 N ATOM 429 CA LYS A 24 17.731 0.695 -1.459 1.00 0.00 C ATOM 430 C LYS A 24 18.265 -0.589 -0.922 1.00 0.00 C ATOM 431 O LYS A 24 18.204 -0.875 0.259 1.00 0.00 O ATOM 432 CB LYS A 24 18.418 1.872 -0.769 1.00 0.00 C ATOM 433 CG LYS A 24 17.690 3.188 -0.952 1.00 0.00 C ATOM 434 CD LYS A 24 18.335 4.294 -0.141 1.00 0.00 C ATOM 435 CE LYS A 24 18.150 5.642 -0.809 1.00 0.00 C ATOM 436 NZ LYS A 24 19.420 6.149 -1.400 1.00 0.00 N ATOM 0 H LYS A 24 16.013 0.979 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 24 17.929 0.764 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.504 1.659 0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.432 1.969 -1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.689 3.461 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.648 3.074 -0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.900 4.317 0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.398 4.088 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.394 5.559 -1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.777 6.361 -0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.352 7.177 -1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.210 5.938 -0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.586 5.686 -2.316 1.00 0.00 H new ATOM 450 N PHE A 25 18.793 -1.373 -1.818 1.00 0.00 N ATOM 451 CA PHE A 25 19.299 -2.651 -1.446 1.00 0.00 C ATOM 452 C PHE A 25 20.791 -2.770 -1.685 1.00 0.00 C ATOM 453 O PHE A 25 21.308 -2.377 -2.731 1.00 0.00 O ATOM 454 CB PHE A 25 18.506 -3.700 -2.208 1.00 0.00 C ATOM 455 CG PHE A 25 18.506 -3.513 -3.704 1.00 0.00 C ATOM 456 CD1 PHE A 25 19.563 -3.968 -4.475 1.00 0.00 C ATOM 457 CD2 PHE A 25 17.440 -2.888 -4.340 1.00 0.00 C ATOM 458 CE1 PHE A 25 19.560 -3.807 -5.848 1.00 0.00 C ATOM 459 CE2 PHE A 25 17.435 -2.722 -5.713 1.00 0.00 C ATOM 460 CZ PHE A 25 18.496 -3.185 -6.468 1.00 0.00 C ATOM 0 H PHE A 25 18.882 -1.145 -2.808 1.00 0.00 H new ATOM 0 HA PHE A 25 19.174 -2.801 -0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 25 18.912 -4.685 -1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 25 17.476 -3.689 -1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 25 20.400 -4.455 -3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.606 -2.528 -3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.391 -4.168 -6.436 1.00 0.00 H new ATOM 0 HE2 PHE A 25 16.603 -2.231 -6.195 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.492 -3.060 -7.541 1.00 0.00 H new ATOM 470 N ASP A 26 21.469 -3.304 -0.683 1.00 0.00 N ATOM 471 CA ASP A 26 22.919 -3.475 -0.741 1.00 0.00 C ATOM 472 C ASP A 26 23.308 -4.943 -0.887 1.00 0.00 C ATOM 473 O ASP A 26 22.551 -5.838 -0.513 1.00 0.00 O ATOM 474 CB ASP A 26 23.566 -2.891 0.518 1.00 0.00 C ATOM 475 CG ASP A 26 23.110 -3.592 1.782 1.00 0.00 C ATOM 476 OD1 ASP A 26 23.301 -4.822 1.879 1.00 0.00 O ATOM 477 OD2 ASP A 26 22.559 -2.910 2.674 1.00 0.00 O ATOM 0 H ASP A 26 21.041 -3.629 0.184 1.00 0.00 H new ATOM 0 HA ASP A 26 23.280 -2.943 -1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 26 24.650 -2.968 0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.326 -1.830 0.588 1.00 0.00 H new ATOM 567 N ARG A 33 9.834 -10.368 2.416 1.00 0.00 N ATOM 568 CA ARG A 33 8.406 -10.089 2.560 1.00 0.00 C ATOM 569 C ARG A 33 8.156 -8.891 3.475 1.00 0.00 C ATOM 570 O ARG A 33 7.428 -7.966 3.125 1.00 0.00 O ATOM 571 CB ARG A 33 7.665 -11.318 3.094 1.00 0.00 C ATOM 572 CG ARG A 33 8.374 -12.028 4.239 1.00 0.00 C ATOM 573 CD ARG A 33 8.680 -13.477 3.895 1.00 0.00 C ATOM 574 NE ARG A 33 9.144 -14.229 5.058 1.00 0.00 N ATOM 575 CZ ARG A 33 10.347 -14.078 5.607 1.00 0.00 C ATOM 576 NH1 ARG A 33 11.208 -13.200 5.105 1.00 0.00 N ATOM 577 NH2 ARG A 33 10.690 -14.803 6.663 1.00 0.00 N ATOM 0 HA ARG A 33 8.022 -9.845 1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.674 -11.013 3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.522 -12.025 2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.301 -11.505 4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.752 -11.989 5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.785 -13.950 3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.440 -13.512 3.114 1.00 0.00 H new ATOM 0 HE ARG A 33 8.509 -14.910 5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.949 -12.637 4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.129 -13.088 5.530 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.032 -15.477 7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.612 -14.687 7.084 1.00 0.00 H new ATOM 591 N GLU A 34 8.770 -8.929 4.653 1.00 0.00 N ATOM 592 CA GLU A 34 8.637 -7.868 5.650 1.00 0.00 C ATOM 593 C GLU A 34 9.458 -6.630 5.307 1.00 0.00 C ATOM 594 O GLU A 34 8.969 -5.506 5.382 1.00 0.00 O ATOM 595 CB GLU A 34 9.048 -8.396 7.026 1.00 0.00 C ATOM 596 CG GLU A 34 7.888 -8.530 7.998 1.00 0.00 C ATOM 597 CD GLU A 34 7.915 -9.840 8.762 1.00 0.00 C ATOM 598 OE1 GLU A 34 8.286 -10.870 8.162 1.00 0.00 O ATOM 599 OE2 GLU A 34 7.565 -9.834 9.962 1.00 0.00 O ATOM 0 H GLU A 34 9.375 -9.696 4.945 1.00 0.00 H new ATOM 0 HA GLU A 34 7.590 -7.566 5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.524 -9.369 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.794 -7.727 7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.914 -7.701 8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.949 -8.453 7.450 1.00 0.00 H new ATOM 606 N GLU A 35 10.733 -6.837 5.000 1.00 0.00 N ATOM 607 CA GLU A 35 11.633 -5.724 4.733 1.00 0.00 C ATOM 608 C GLU A 35 11.162 -4.818 3.598 1.00 0.00 C ATOM 609 O GLU A 35 11.072 -3.615 3.787 1.00 0.00 O ATOM 610 CB GLU A 35 13.037 -6.245 4.432 1.00 0.00 C ATOM 611 CG GLU A 35 13.531 -7.283 5.426 1.00 0.00 C ATOM 612 CD GLU A 35 14.710 -6.795 6.246 1.00 0.00 C ATOM 613 OE1 GLU A 35 14.572 -5.755 6.924 1.00 0.00 O ATOM 614 OE2 GLU A 35 15.771 -7.454 6.209 1.00 0.00 O ATOM 0 H GLU A 35 11.164 -7.759 4.930 1.00 0.00 H new ATOM 0 HA GLU A 35 11.642 -5.113 5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.047 -6.679 3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.732 -5.405 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.716 -7.555 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.817 -8.187 4.889 1.00 0.00 H new ATOM 621 N ILE A 36 10.863 -5.362 2.426 1.00 0.00 N ATOM 622 CA ILE A 36 10.422 -4.506 1.324 1.00 0.00 C ATOM 623 C ILE A 36 8.982 -4.032 1.509 1.00 0.00 C ATOM 624 O ILE A 36 8.706 -2.848 1.501 1.00 0.00 O ATOM 625 CB ILE A 36 10.587 -5.196 -0.054 1.00 0.00 C ATOM 626 CG1 ILE A 36 10.468 -4.156 -1.184 1.00 0.00 C ATOM 627 CG2 ILE A 36 9.587 -6.332 -0.230 1.00 0.00 C ATOM 628 CD1 ILE A 36 9.103 -4.084 -1.841 1.00 0.00 C ATOM 0 H ILE A 36 10.914 -6.358 2.213 1.00 0.00 H new ATOM 0 HA ILE A 36 11.072 -3.631 1.342 1.00 0.00 H new ATOM 0 HB ILE A 36 11.581 -5.640 -0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.714 -3.173 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.212 -4.383 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.730 -6.794 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.742 -7.077 0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.573 -5.938 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.115 -3.325 -2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.858 -5.052 -2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.353 -3.823 -1.094 1.00 0.00 H new ATOM 640 N LYS A 37 8.075 -4.966 1.678 1.00 0.00 N ATOM 641 CA LYS A 37 6.648 -4.648 1.853 1.00 0.00 C ATOM 642 C LYS A 37 6.362 -3.845 3.103 1.00 0.00 C ATOM 643 O LYS A 37 5.727 -2.793 3.034 1.00 0.00 O ATOM 644 CB LYS A 37 5.808 -5.925 1.849 1.00 0.00 C ATOM 645 CG LYS A 37 6.126 -6.857 0.691 1.00 0.00 C ATOM 646 CD LYS A 37 4.909 -7.675 0.285 1.00 0.00 C ATOM 647 CE LYS A 37 4.587 -8.746 1.318 1.00 0.00 C ATOM 648 NZ LYS A 37 3.127 -8.821 1.601 1.00 0.00 N ATOM 0 H LYS A 37 8.287 -5.964 1.700 1.00 0.00 H new ATOM 0 HA LYS A 37 6.371 -4.022 1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.966 -6.457 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.752 -5.656 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.475 -6.274 -0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.938 -7.527 0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.050 -7.015 0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.090 -8.144 -0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.938 -9.714 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.126 -8.534 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.948 -9.562 2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.797 -7.905 1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.615 -9.049 0.725 1.00 0.00 H new ATOM 662 N GLU A 38 6.796 -4.325 4.239 1.00 0.00 N ATOM 663 CA GLU A 38 6.531 -3.611 5.466 1.00 0.00 C ATOM 664 C GLU A 38 7.293 -2.288 5.512 1.00 0.00 C ATOM 665 O GLU A 38 6.772 -1.290 5.987 1.00 0.00 O ATOM 666 CB GLU A 38 6.828 -4.510 6.657 1.00 0.00 C ATOM 667 CG GLU A 38 8.026 -4.092 7.501 1.00 0.00 C ATOM 668 CD GLU A 38 8.500 -5.193 8.428 1.00 0.00 C ATOM 669 OE1 GLU A 38 7.723 -5.595 9.321 1.00 0.00 O ATOM 670 OE2 GLU A 38 9.649 -5.655 8.263 1.00 0.00 O ATOM 0 H GLU A 38 7.325 -5.191 4.343 1.00 0.00 H new ATOM 0 HA GLU A 38 5.474 -3.347 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.946 -4.542 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.995 -5.524 6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.844 -3.799 6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.761 -3.215 8.091 1.00 0.00 H new ATOM 677 N LEU A 39 8.508 -2.249 4.991 1.00 0.00 N ATOM 678 CA LEU A 39 9.243 -0.997 4.990 1.00 0.00 C ATOM 679 C LEU A 39 8.685 -0.056 3.917 1.00 0.00 C ATOM 680 O LEU A 39 8.726 1.162 4.074 1.00 0.00 O ATOM 681 CB LEU A 39 10.755 -1.234 4.859 1.00 0.00 C ATOM 682 CG LEU A 39 11.449 -0.579 3.670 1.00 0.00 C ATOM 683 CD1 LEU A 39 12.921 -0.341 3.975 1.00 0.00 C ATOM 684 CD2 LEU A 39 11.298 -1.429 2.424 1.00 0.00 C ATOM 0 H LEU A 39 8.994 -3.044 4.575 1.00 0.00 H new ATOM 0 HA LEU A 39 9.103 -0.504 5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.235 -0.880 5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.928 -2.309 4.804 1.00 0.00 H new ATOM 0 HG LEU A 39 10.973 0.384 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.400 0.127 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 39 13.012 0.314 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.407 -1.293 4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.801 -0.942 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.744 -2.408 2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.240 -1.548 2.191 1.00 0.00 H new ATOM 696 N ILE A 40 8.147 -0.622 2.832 1.00 0.00 N ATOM 697 CA ILE A 40 7.573 0.199 1.767 1.00 0.00 C ATOM 698 C ILE A 40 6.203 0.759 2.135 1.00 0.00 C ATOM 699 O ILE A 40 6.009 1.948 2.029 1.00 0.00 O ATOM 700 CB ILE A 40 7.496 -0.520 0.408 1.00 0.00 C ATOM 701 CG1 ILE A 40 6.471 -1.637 0.437 1.00 0.00 C ATOM 702 CG2 ILE A 40 8.871 -1.038 -0.001 1.00 0.00 C ATOM 703 CD1 ILE A 40 6.462 -2.464 -0.825 1.00 0.00 C ATOM 0 H ILE A 40 8.098 -1.628 2.671 1.00 0.00 H new ATOM 0 HA ILE A 40 8.271 1.029 1.658 1.00 0.00 H new ATOM 0 HB ILE A 40 7.170 0.201 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.674 -2.286 1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.480 -1.209 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.798 -1.543 -0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.566 -0.202 -0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.234 -1.739 0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.708 -3.246 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.230 -1.825 -1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.442 -2.919 -0.969 1.00 0.00 H new ATOM 715 N ALA A 41 5.253 -0.085 2.550 1.00 0.00 N ATOM 716 CA ALA A 41 3.902 0.395 2.900 1.00 0.00 C ATOM 717 C ALA A 41 3.888 1.271 4.133 1.00 0.00 C ATOM 718 O ALA A 41 3.250 2.336 4.169 1.00 0.00 O ATOM 719 CB ALA A 41 2.958 -0.764 3.144 1.00 0.00 C ATOM 0 H ALA A 41 5.386 -1.091 2.653 1.00 0.00 H new ATOM 0 HA ALA A 41 3.575 0.987 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.970 -0.381 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.889 -1.373 2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.335 -1.373 3.965 1.00 0.00 H new ATOM 725 N LYS A 42 4.577 0.812 5.151 1.00 0.00 N ATOM 726 CA LYS A 42 4.619 1.521 6.399 1.00 0.00 C ATOM 727 C LYS A 42 5.076 2.932 6.141 1.00 0.00 C ATOM 728 O LYS A 42 4.372 3.891 6.476 1.00 0.00 O ATOM 729 CB LYS A 42 5.494 0.732 7.364 1.00 0.00 C ATOM 730 CG LYS A 42 5.002 -0.709 7.503 1.00 0.00 C ATOM 731 CD LYS A 42 5.756 -1.464 8.582 1.00 0.00 C ATOM 732 CE LYS A 42 5.170 -2.852 8.795 1.00 0.00 C ATOM 733 NZ LYS A 42 6.016 -3.686 9.692 1.00 0.00 N ATOM 0 H LYS A 42 5.117 -0.053 5.135 1.00 0.00 H new ATOM 0 HA LYS A 42 3.639 1.607 6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.525 0.735 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.491 1.216 8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.938 -0.708 7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.118 -1.226 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.806 -1.549 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.718 -0.903 9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.171 -2.762 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.062 -3.351 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.188 -4.610 9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.924 -3.207 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.528 -3.825 10.600 1.00 0.00 H new ATOM 747 N HIS A 43 6.183 3.052 5.430 1.00 0.00 N ATOM 748 CA HIS A 43 6.676 4.347 5.023 1.00 0.00 C ATOM 749 C HIS A 43 5.700 4.962 4.047 1.00 0.00 C ATOM 750 O HIS A 43 5.358 6.136 4.135 1.00 0.00 O ATOM 751 CB HIS A 43 8.007 4.206 4.320 1.00 0.00 C ATOM 752 CG HIS A 43 9.105 3.692 5.203 1.00 0.00 C ATOM 753 ND1 HIS A 43 10.409 4.127 5.113 1.00 0.00 N ATOM 754 CD2 HIS A 43 9.083 2.781 6.204 1.00 0.00 C ATOM 755 CE1 HIS A 43 11.143 3.507 6.018 1.00 0.00 C ATOM 756 NE2 HIS A 43 10.362 2.683 6.692 1.00 0.00 N ATOM 0 H HIS A 43 6.755 2.265 5.124 1.00 0.00 H new ATOM 0 HA HIS A 43 6.790 4.970 5.910 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.890 3.532 3.471 1.00 0.00 H new ATOM 0 HB3 HIS A 43 8.300 5.176 3.918 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.220 2.234 6.553 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.201 3.649 6.180 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.661 2.072 7.452 1.00 0.00 H new ATOM 765 N GLU A 44 5.252 4.125 3.116 1.00 0.00 N ATOM 766 CA GLU A 44 4.306 4.519 2.084 1.00 0.00 C ATOM 767 C GLU A 44 3.161 5.326 2.657 1.00 0.00 C ATOM 768 O GLU A 44 2.403 5.959 1.924 1.00 0.00 O ATOM 769 CB GLU A 44 3.826 3.310 1.298 1.00 0.00 C ATOM 770 CG GLU A 44 4.747 2.985 0.121 1.00 0.00 C ATOM 771 CD GLU A 44 4.810 1.512 -0.260 1.00 0.00 C ATOM 772 OE1 GLU A 44 4.046 0.707 0.294 1.00 0.00 O ATOM 773 OE2 GLU A 44 5.630 1.172 -1.134 1.00 0.00 O ATOM 0 H GLU A 44 5.539 3.148 3.058 1.00 0.00 H new ATOM 0 HA GLU A 44 4.824 5.174 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.768 2.447 1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.818 3.496 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.417 3.555 -0.747 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.754 3.326 0.362 1.00 0.00 H new ATOM 780 N GLY A 45 3.043 5.300 3.972 1.00 0.00 N ATOM 781 CA GLY A 45 1.999 6.034 4.623 1.00 0.00 C ATOM 782 C GLY A 45 0.917 5.079 5.046 1.00 0.00 C ATOM 783 O GLY A 45 -0.256 5.441 5.122 1.00 0.00 O ATOM 0 H GLY A 45 3.658 4.779 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.395 6.562 5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.593 6.788 3.949 1.00 0.00 H new ATOM 787 N VAL A 46 1.314 3.813 5.212 1.00 0.00 N ATOM 788 CA VAL A 46 0.347 2.771 5.506 1.00 0.00 C ATOM 789 C VAL A 46 0.916 1.563 6.246 1.00 0.00 C ATOM 790 O VAL A 46 2.116 1.405 6.363 1.00 0.00 O ATOM 791 CB VAL A 46 -0.287 2.321 4.197 1.00 0.00 C ATOM 792 CG1 VAL A 46 -1.539 3.148 3.924 1.00 0.00 C ATOM 793 CG2 VAL A 46 0.723 2.452 3.049 1.00 0.00 C ATOM 0 H VAL A 46 2.282 3.497 5.148 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.386 3.205 6.186 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.575 1.273 4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.991 2.825 2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.251 3.009 4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.270 4.202 3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.259 2.127 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.035 3.492 2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.593 1.829 3.257 1.00 0.00 H new ATOM 803 N ASP A 47 0.021 0.701 6.725 1.00 0.00 N ATOM 804 CA ASP A 47 0.409 -0.515 7.442 1.00 0.00 C ATOM 805 C ASP A 47 0.807 -1.653 6.490 1.00 0.00 C ATOM 806 O ASP A 47 0.849 -1.480 5.273 1.00 0.00 O ATOM 807 CB ASP A 47 -0.749 -1.001 8.302 1.00 0.00 C ATOM 808 CG ASP A 47 -1.526 0.134 8.943 1.00 0.00 C ATOM 809 OD1 ASP A 47 -2.230 0.862 8.209 1.00 0.00 O ATOM 810 OD2 ASP A 47 -1.432 0.298 10.179 1.00 0.00 O ATOM 0 H ASP A 47 -0.987 0.823 6.629 1.00 0.00 H new ATOM 0 HA ASP A 47 1.272 -0.257 8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.425 -1.597 7.689 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.365 -1.658 9.083 1.00 0.00 H new ATOM 815 N LYS A 48 1.093 -2.815 7.081 1.00 0.00 N ATOM 816 CA LYS A 48 1.493 -4.018 6.348 1.00 0.00 C ATOM 817 C LYS A 48 0.353 -4.614 5.516 1.00 0.00 C ATOM 818 O LYS A 48 0.599 -5.285 4.518 1.00 0.00 O ATOM 819 CB LYS A 48 2.020 -5.073 7.324 1.00 0.00 C ATOM 820 CG LYS A 48 0.962 -5.602 8.277 1.00 0.00 C ATOM 821 CD LYS A 48 0.964 -4.837 9.592 1.00 0.00 C ATOM 822 CE LYS A 48 0.677 -5.752 10.770 1.00 0.00 C ATOM 823 NZ LYS A 48 -0.722 -6.260 10.750 1.00 0.00 N ATOM 0 H LYS A 48 1.053 -2.949 8.091 1.00 0.00 H new ATOM 0 HA LYS A 48 2.278 -3.718 5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.435 -5.906 6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.837 -4.644 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.020 -5.524 7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.141 -6.660 8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.932 -4.355 9.732 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.216 -4.045 9.554 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.369 -6.594 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.854 -5.212 11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.878 -6.880 11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.383 -5.458 10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.884 -6.797 9.874 1.00 0.00 H new ATOM 837 N GLU A 49 -0.889 -4.402 5.931 1.00 0.00 N ATOM 838 CA GLU A 49 -2.024 -4.951 5.190 1.00 0.00 C ATOM 839 C GLU A 49 -2.295 -4.118 3.937 1.00 0.00 C ATOM 840 O GLU A 49 -2.612 -4.654 2.879 1.00 0.00 O ATOM 841 CB GLU A 49 -3.269 -5.029 6.075 1.00 0.00 C ATOM 842 CG GLU A 49 -3.552 -6.433 6.585 1.00 0.00 C ATOM 843 CD GLU A 49 -3.660 -7.450 5.466 1.00 0.00 C ATOM 844 OE1 GLU A 49 -4.210 -7.102 4.400 1.00 0.00 O ATOM 845 OE2 GLU A 49 -3.194 -8.594 5.655 1.00 0.00 O ATOM 0 H GLU A 49 -1.137 -3.864 6.761 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.773 -5.965 4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.146 -4.358 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.131 -4.673 5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.758 -6.734 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.480 -6.428 7.157 1.00 0.00 H new ATOM 852 N LEU A 50 -2.162 -2.806 4.077 1.00 0.00 N ATOM 853 CA LEU A 50 -2.377 -1.859 3.013 1.00 0.00 C ATOM 854 C LEU A 50 -1.233 -1.828 2.006 1.00 0.00 C ATOM 855 O LEU A 50 -1.106 -0.861 1.277 1.00 0.00 O ATOM 856 CB LEU A 50 -2.525 -0.454 3.635 1.00 0.00 C ATOM 857 CG LEU A 50 -2.986 -0.393 5.103 1.00 0.00 C ATOM 858 CD1 LEU A 50 -3.358 1.033 5.482 1.00 0.00 C ATOM 859 CD2 LEU A 50 -4.162 -1.332 5.359 1.00 0.00 C ATOM 0 H LEU A 50 -1.895 -2.369 4.959 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.275 -2.164 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.564 0.055 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.235 0.112 3.032 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.154 -0.721 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.682 1.060 6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.491 1.681 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.168 1.380 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.461 -1.263 6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.000 -1.048 4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.866 -2.356 5.133 1.00 0.00 H new ATOM 871 N VAL A 51 -0.389 -2.858 1.939 1.00 0.00 N ATOM 872 CA VAL A 51 0.711 -2.798 0.978 1.00 0.00 C ATOM 873 C VAL A 51 0.421 -3.509 -0.341 1.00 0.00 C ATOM 874 O VAL A 51 0.365 -4.738 -0.402 1.00 0.00 O ATOM 875 CB VAL A 51 1.987 -3.439 1.564 1.00 0.00 C ATOM 876 CG1 VAL A 51 3.226 -2.727 1.056 1.00 0.00 C ATOM 877 CG2 VAL A 51 1.945 -3.456 3.085 1.00 0.00 C ATOM 0 H VAL A 51 -0.439 -3.704 2.507 1.00 0.00 H new ATOM 0 HA VAL A 51 0.844 -1.735 0.779 1.00 0.00 H new ATOM 0 HB VAL A 51 2.031 -4.474 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.114 -3.194 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.265 -2.795 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.191 -1.679 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.857 -3.913 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.866 -2.435 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.082 -4.032 3.419 1.00 0.00 H new ATOM 887 N ILE A 52 0.354 -2.717 -1.409 1.00 0.00 N ATOM 888 CA ILE A 52 0.206 -3.234 -2.763 1.00 0.00 C ATOM 889 C ILE A 52 1.222 -2.539 -3.664 1.00 0.00 C ATOM 890 O ILE A 52 1.036 -1.375 -4.010 1.00 0.00 O ATOM 891 CB ILE A 52 -1.231 -3.063 -3.325 1.00 0.00 C ATOM 892 CG1 ILE A 52 -1.334 -3.646 -4.742 1.00 0.00 C ATOM 893 CG2 ILE A 52 -1.667 -1.611 -3.303 1.00 0.00 C ATOM 894 CD1 ILE A 52 -0.717 -2.784 -5.825 1.00 0.00 C ATOM 0 H ILE A 52 0.401 -1.699 -1.358 1.00 0.00 H new ATOM 0 HA ILE A 52 0.390 -4.308 -2.736 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.909 -3.618 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.851 -4.623 -4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.386 -3.807 -4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.677 -1.528 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.652 -1.242 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.986 -1.017 -3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.836 -3.274 -6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.214 -1.814 -5.846 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.344 -2.643 -5.618 1.00 0.00 H new ATOM 906 N VAL A 53 2.292 -3.214 -4.055 1.00 0.00 N ATOM 907 CA VAL A 53 3.277 -2.560 -4.912 1.00 0.00 C ATOM 908 C VAL A 53 3.521 -3.351 -6.192 1.00 0.00 C ATOM 909 O VAL A 53 4.066 -4.456 -6.167 1.00 0.00 O ATOM 910 CB VAL A 53 4.614 -2.342 -4.166 1.00 0.00 C ATOM 911 CG1 VAL A 53 4.420 -1.446 -2.936 1.00 0.00 C ATOM 912 CG2 VAL A 53 5.229 -3.680 -3.778 1.00 0.00 C ATOM 0 H VAL A 53 2.500 -4.181 -3.805 1.00 0.00 H new ATOM 0 HA VAL A 53 2.865 -1.588 -5.182 1.00 0.00 H new ATOM 0 HB VAL A 53 5.302 -1.831 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.376 -1.310 -2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.034 -0.476 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.712 -1.915 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.169 -3.510 -3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.543 -4.220 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.416 -4.269 -4.676 1.00 0.00 H new ATOM 922 N ASP A 54 3.118 -2.760 -7.316 1.00 0.00 N ATOM 923 CA ASP A 54 3.289 -3.374 -8.627 1.00 0.00 C ATOM 924 C ASP A 54 4.233 -2.555 -9.494 1.00 0.00 C ATOM 925 O ASP A 54 4.146 -1.327 -9.530 1.00 0.00 O ATOM 926 CB ASP A 54 1.937 -3.527 -9.325 1.00 0.00 C ATOM 927 CG ASP A 54 1.095 -4.631 -8.717 1.00 0.00 C ATOM 928 OD1 ASP A 54 1.674 -5.542 -8.088 1.00 0.00 O ATOM 929 OD2 ASP A 54 -0.143 -4.587 -8.871 1.00 0.00 O ATOM 0 H ASP A 54 2.666 -1.846 -7.341 1.00 0.00 H new ATOM 0 HA ASP A 54 3.726 -4.362 -8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.392 -2.585 -9.267 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.099 -3.737 -10.382 1.00 0.00 H new ATOM 934 N ASN A 55 5.125 -3.236 -10.203 1.00 0.00 N ATOM 935 CA ASN A 55 6.075 -2.565 -11.077 1.00 0.00 C ATOM 936 C ASN A 55 6.958 -1.613 -10.279 1.00 0.00 C ATOM 937 O ASN A 55 6.505 -0.962 -9.338 1.00 0.00 O ATOM 938 CB ASN A 55 5.333 -1.799 -12.175 1.00 0.00 C ATOM 939 CG ASN A 55 5.709 -2.274 -13.566 1.00 0.00 C ATOM 940 OD1 ASN A 55 6.291 -3.346 -13.731 1.00 0.00 O ATOM 941 ND2 ASN A 55 5.379 -1.475 -14.573 1.00 0.00 N ATOM 0 H ASN A 55 5.209 -4.252 -10.189 1.00 0.00 H new ATOM 0 HA ASN A 55 6.710 -3.320 -11.540 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.259 -1.915 -12.032 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.554 -0.735 -12.085 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.607 -1.741 -15.531 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.897 -0.595 -14.389 1.00 0.00 H new ATOM 948 N ASN A 56 8.225 -1.547 -10.654 1.00 0.00 N ATOM 949 CA ASN A 56 9.172 -0.682 -9.965 1.00 0.00 C ATOM 950 C ASN A 56 10.291 -0.215 -10.892 1.00 0.00 C ATOM 951 O ASN A 56 11.120 -1.011 -11.328 1.00 0.00 O ATOM 952 CB ASN A 56 9.766 -1.408 -8.755 1.00 0.00 C ATOM 953 CG ASN A 56 9.918 -2.905 -8.977 1.00 0.00 C ATOM 954 OD1 ASN A 56 9.499 -3.711 -8.149 1.00 0.00 O ATOM 955 ND2 ASN A 56 10.520 -3.283 -10.099 1.00 0.00 N ATOM 0 H ASN A 56 8.622 -2.079 -11.428 1.00 0.00 H new ATOM 0 HA ASN A 56 8.627 0.200 -9.629 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.741 -0.980 -8.524 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.129 -1.238 -7.887 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.649 -4.275 -10.299 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.853 -2.582 -10.760 1.00 0.00 H new ATOM 962 N LYS A 57 10.322 1.086 -11.165 1.00 0.00 N ATOM 963 CA LYS A 57 11.367 1.655 -12.015 1.00 0.00 C ATOM 964 C LYS A 57 12.645 1.789 -11.199 1.00 0.00 C ATOM 965 O LYS A 57 12.595 1.854 -9.972 1.00 0.00 O ATOM 966 CB LYS A 57 10.958 3.024 -12.599 1.00 10.00 C ATOM 967 CG LYS A 57 9.935 3.791 -11.765 1.00 0.00 C ATOM 968 CD LYS A 57 10.289 5.272 -11.642 1.00 0.00 C ATOM 969 CE LYS A 57 9.174 6.087 -10.977 1.00 0.00 C ATOM 970 NZ LYS A 57 7.825 5.494 -11.210 1.00 0.00 N ATOM 0 H LYS A 57 9.643 1.762 -10.815 1.00 0.00 H new ATOM 0 HA LYS A 57 11.527 0.985 -12.860 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.851 3.639 -12.709 1.00 10.00 H new ATOM 0 HB3 LYS A 57 10.551 2.871 -13.598 1.00 10.00 H new ATOM 0 HG2 LYS A 57 8.949 3.691 -12.219 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.874 3.349 -10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.206 5.376 -11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.490 5.678 -12.633 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.361 6.148 -9.905 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.192 7.106 -11.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.093 6.168 -10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.707 5.286 -12.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.733 4.614 -10.663 1.00 0.00 H new ATOM 984 N GLN A 58 13.794 1.805 -11.864 1.00 0.00 N ATOM 985 CA GLN A 58 15.061 1.908 -11.150 1.00 0.00 C ATOM 986 C GLN A 58 15.878 3.105 -11.621 1.00 0.00 C ATOM 987 O GLN A 58 16.439 3.099 -12.717 1.00 0.00 O ATOM 988 CB GLN A 58 15.868 0.621 -11.320 1.00 0.00 C ATOM 989 CG GLN A 58 16.674 0.239 -10.092 1.00 0.00 C ATOM 990 CD GLN A 58 17.983 -0.439 -10.444 1.00 0.00 C ATOM 991 OE1 GLN A 58 18.002 -1.441 -11.160 1.00 0.00 O ATOM 992 NE2 GLN A 58 19.084 0.101 -9.937 1.00 0.00 N ATOM 0 H GLN A 58 13.875 1.749 -12.879 1.00 0.00 H new ATOM 0 HA GLN A 58 14.835 2.055 -10.094 1.00 0.00 H new ATOM 0 HB2 GLN A 58 15.187 -0.194 -11.565 1.00 0.00 H new ATOM 0 HB3 GLN A 58 16.545 0.736 -12.166 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.879 1.133 -9.503 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.081 -0.427 -9.465 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.020 0.932 -9.349 1.00 0.00 H new ATOM 0 HE22 GLN A 58 19.994 -0.315 -10.136 1.00 0.00 H new ATOM 1063 N HIS A 63 22.335 1.141 -6.639 1.00 0.00 N ATOM 1064 CA HIS A 63 21.599 -0.089 -6.922 1.00 0.00 C ATOM 1065 C HIS A 63 20.289 -0.152 -6.135 1.00 0.00 C ATOM 1066 O HIS A 63 19.992 -1.156 -5.492 1.00 0.00 O ATOM 1067 CB HIS A 63 22.460 -1.319 -6.609 1.00 0.00 C ATOM 1068 CG HIS A 63 22.795 -2.135 -7.818 1.00 0.00 C ATOM 1069 ND1 HIS A 63 21.967 -2.221 -8.919 1.00 0.00 N ATOM 1070 CD2 HIS A 63 23.873 -2.903 -8.101 1.00 0.00 C ATOM 1071 CE1 HIS A 63 22.522 -3.008 -9.823 1.00 0.00 C ATOM 1072 NE2 HIS A 63 23.679 -3.434 -9.352 1.00 0.00 N ATOM 0 HA HIS A 63 21.356 -0.087 -7.985 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.385 -0.994 -6.132 1.00 0.00 H new ATOM 0 HB3 HIS A 63 21.934 -1.948 -5.890 1.00 0.00 H new ATOM 0 HD2 HIS A 63 24.727 -3.068 -7.461 1.00 0.00 H new ATOM 0 HE1 HIS A 63 22.100 -3.260 -10.785 1.00 0.00 H new ATOM 0 HE2 HIS A 63 24.324 -4.057 -9.838 1.00 0.00 H new ATOM 1081 N GLU A 64 19.504 0.921 -6.186 1.00 0.00 N ATOM 1082 CA GLU A 64 18.253 0.972 -5.492 1.00 0.00 C ATOM 1083 C GLU A 64 17.162 1.226 -6.515 1.00 0.00 C ATOM 1084 O GLU A 64 17.437 1.753 -7.590 1.00 0.00 O ATOM 1085 CB GLU A 64 18.350 2.044 -4.422 1.00 0.00 C ATOM 1086 CG GLU A 64 19.631 1.892 -3.605 1.00 0.00 C ATOM 1087 CD GLU A 64 20.138 3.211 -3.052 1.00 0.00 C ATOM 1088 OE1 GLU A 64 19.435 4.232 -3.207 1.00 0.00 O ATOM 1089 OE2 GLU A 64 21.238 3.223 -2.460 1.00 0.00 O ATOM 0 H GLU A 64 19.729 1.766 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 64 18.009 0.038 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.327 3.029 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.485 1.983 -3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 64 19.450 1.203 -2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.404 1.445 -4.230 1.00 0.00 H new ATOM 1096 N ILE A 65 15.951 0.792 -6.230 1.00 0.00 N ATOM 1097 CA ILE A 65 14.876 0.922 -7.200 1.00 0.00 C ATOM 1098 C ILE A 65 13.783 1.849 -6.718 1.00 0.00 C ATOM 1099 O ILE A 65 13.228 1.673 -5.637 1.00 0.00 O ATOM 1100 CB ILE A 65 14.290 -0.480 -7.461 1.00 0.00 C ATOM 1101 CG1 ILE A 65 13.421 -0.510 -8.709 1.00 0.00 C ATOM 1102 CG2 ILE A 65 13.502 -0.971 -6.254 1.00 0.00 C ATOM 1103 CD1 ILE A 65 12.972 -1.907 -9.058 1.00 0.00 C ATOM 0 H ILE A 65 15.686 0.352 -5.349 1.00 0.00 H new ATOM 0 HA ILE A 65 15.283 1.354 -8.114 1.00 0.00 H new ATOM 0 HB ILE A 65 15.131 -1.153 -7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.547 0.123 -8.556 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.977 -0.089 -9.547 1.00 0.00 H new ATOM 0 HG21 ILE A 65 13.098 -1.962 -6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.160 -1.022 -5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 65 12.683 -0.281 -6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.355 -1.877 -9.956 1.00 0.00 H new ATOM 0 HD12 ILE A 65 13.844 -2.535 -9.238 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.392 -2.320 -8.232 1.00 0.00 H new ATOM 1115 N GLU A 66 13.483 2.846 -7.549 1.00 0.00 N ATOM 1116 CA GLU A 66 12.462 3.829 -7.236 1.00 0.00 C ATOM 1117 C GLU A 66 11.352 3.784 -8.262 1.00 0.00 C ATOM 1118 O GLU A 66 11.596 3.876 -9.465 1.00 0.00 O ATOM 1119 CB GLU A 66 13.064 5.238 -7.209 1.00 0.00 C ATOM 1120 CG GLU A 66 12.039 6.337 -6.984 1.00 0.00 C ATOM 1121 CD GLU A 66 12.554 7.439 -6.079 1.00 0.00 C ATOM 1122 OE1 GLU A 66 13.239 8.351 -6.586 1.00 0.00 O ATOM 1123 OE2 GLU A 66 12.272 7.388 -4.863 1.00 0.00 O ATOM 0 H GLU A 66 13.940 2.990 -8.450 1.00 0.00 H new ATOM 0 HA GLU A 66 12.056 3.591 -6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.815 5.287 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.579 5.421 -8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.754 6.765 -7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.138 5.905 -6.548 1.00 0.00 H new ATOM 1130 N GLY A 67 10.135 3.667 -7.780 1.00 0.00 N ATOM 1131 CA GLY A 67 9.000 3.630 -8.663 1.00 0.00 C ATOM 1132 C GLY A 67 7.764 4.181 -8.015 1.00 0.00 C ATOM 1133 O GLY A 67 7.815 5.197 -7.316 1.00 0.00 O ATOM 0 H GLY A 67 9.910 3.597 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.223 4.202 -9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.818 2.602 -8.976 1.00 0.00 H new ATOM 1137 N TYR A 68 6.650 3.505 -8.221 1.00 0.00 N ATOM 1138 CA TYR A 68 5.407 3.940 -7.631 1.00 0.00 C ATOM 1139 C TYR A 68 4.822 2.829 -6.788 1.00 0.00 C ATOM 1140 O TYR A 68 4.773 1.668 -7.193 1.00 0.00 O ATOM 1141 CB TYR A 68 4.412 4.362 -8.715 1.00 0.00 C ATOM 1142 CG TYR A 68 4.229 3.337 -9.810 1.00 0.00 C ATOM 1143 CD1 TYR A 68 5.065 3.321 -10.920 1.00 0.00 C ATOM 1144 CD2 TYR A 68 3.216 2.388 -9.740 1.00 0.00 C ATOM 1145 CE1 TYR A 68 4.899 2.388 -11.926 1.00 0.00 C ATOM 1146 CE2 TYR A 68 3.044 1.453 -10.741 1.00 0.00 C ATOM 1147 CZ TYR A 68 3.886 1.457 -11.833 1.00 0.00 C ATOM 1148 OH TYR A 68 3.718 0.526 -12.834 1.00 0.00 O ATOM 0 H TYR A 68 6.584 2.660 -8.788 1.00 0.00 H new ATOM 0 HA TYR A 68 5.606 4.803 -6.996 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.446 4.560 -8.251 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.749 5.298 -9.160 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.858 4.050 -10.998 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.552 2.382 -8.888 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.559 2.388 -12.781 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.253 0.721 -10.669 1.00 0.00 H new ATOM 0 HH TYR A 68 2.961 -0.057 -12.615 1.00 0.00 H new ATOM 1158 N THR A 69 4.388 3.210 -5.606 1.00 0.00 N ATOM 1159 CA THR A 69 3.803 2.285 -4.658 1.00 0.00 C ATOM 1160 C THR A 69 2.312 2.597 -4.489 1.00 0.00 C ATOM 1161 O THR A 69 1.898 3.755 -4.560 1.00 0.00 O ATOM 1162 CB THR A 69 4.541 2.371 -3.305 1.00 0.00 C ATOM 1163 OG1 THR A 69 3.644 2.188 -2.240 1.00 0.00 O ATOM 1164 CG2 THR A 69 5.288 3.668 -3.099 1.00 0.00 C ATOM 0 H THR A 69 4.431 4.173 -5.274 1.00 0.00 H new ATOM 0 HA THR A 69 3.906 1.267 -5.034 1.00 0.00 H new ATOM 0 HB THR A 69 5.281 1.571 -3.327 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.221 1.307 -2.316 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.781 3.654 -2.127 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.036 3.786 -3.883 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.587 4.502 -3.138 1.00 0.00 H new ATOM 1172 N LYS A 70 1.513 1.563 -4.281 1.00 0.00 N ATOM 1173 CA LYS A 70 0.072 1.725 -4.103 1.00 0.00 C ATOM 1174 C LYS A 70 -0.353 1.025 -2.828 1.00 0.00 C ATOM 1175 O LYS A 70 0.226 0.005 -2.465 1.00 0.00 O ATOM 1176 CB LYS A 70 -0.671 1.133 -5.293 1.00 0.00 C ATOM 1177 CG LYS A 70 -1.844 1.975 -5.764 1.00 0.00 C ATOM 1178 CD LYS A 70 -2.890 1.129 -6.473 1.00 0.00 C ATOM 1179 CE LYS A 70 -3.726 0.332 -5.485 1.00 0.00 C ATOM 1180 NZ LYS A 70 -5.171 0.332 -5.850 1.00 0.00 N ATOM 0 H LYS A 70 1.836 0.597 -4.230 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.168 2.786 -4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.028 1.006 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.033 0.140 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.299 2.477 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.487 2.753 -6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.540 1.773 -7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.399 0.448 -7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.362 -0.695 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.604 0.751 -4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.714 0.831 -5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.298 0.814 -6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.510 -0.648 -5.925 1.00 0.00 H new ATOM 1194 N ILE A 71 -1.322 1.576 -2.109 1.00 0.00 N ATOM 1195 CA ILE A 71 -1.718 0.934 -0.860 1.00 0.00 C ATOM 1196 C ILE A 71 -3.215 0.843 -0.626 1.00 0.00 C ATOM 1197 O ILE A 71 -3.977 1.774 -0.948 1.00 0.00 O ATOM 1198 CB ILE A 71 -1.028 1.597 0.328 1.00 0.00 C ATOM 1199 CG1 ILE A 71 0.347 0.960 0.522 1.00 0.00 C ATOM 1200 CG2 ILE A 71 -1.863 1.511 1.590 1.00 0.00 C ATOM 1201 CD1 ILE A 71 1.483 1.891 0.201 1.00 0.00 C ATOM 0 H ILE A 71 -1.829 2.427 -2.352 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.385 -0.099 -0.958 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.907 2.659 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.442 0.624 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.422 0.075 -0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.333 1.996 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.818 2.011 1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.039 0.465 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.431 1.377 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.411 2.207 -0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.432 2.765 0.850 1.00 0.00 H new ATOM 1213 N TYR A 72 -3.610 -0.280 0.011 1.00 0.00 N ATOM 1214 CA TYR A 72 -5.012 -0.493 0.374 1.00 0.00 C ATOM 1215 C TYR A 72 -5.225 -0.350 1.891 1.00 0.00 C ATOM 1216 O TYR A 72 -4.743 -1.160 2.717 1.00 0.00 O ATOM 1217 CB TYR A 72 -5.579 -1.821 -0.145 1.00 0.00 C ATOM 1218 CG TYR A 72 -4.708 -3.042 0.045 1.00 0.00 C ATOM 1219 CD1 TYR A 72 -3.481 -3.162 -0.595 1.00 0.00 C ATOM 1220 CD2 TYR A 72 -5.139 -4.093 0.843 1.00 0.00 C ATOM 1221 CE1 TYR A 72 -2.706 -4.297 -0.436 1.00 0.00 C ATOM 1222 CE2 TYR A 72 -4.370 -5.231 1.001 1.00 0.00 C ATOM 1223 CZ TYR A 72 -3.155 -5.327 0.360 1.00 0.00 C ATOM 1224 OH TYR A 72 -2.389 -6.458 0.515 1.00 0.00 O ATOM 0 H TYR A 72 -2.982 -1.038 0.278 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.576 0.293 -0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.534 -2.002 0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.787 -1.711 -1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.127 -2.359 -1.225 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.091 -4.020 1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -1.751 -4.375 -0.935 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.720 -6.041 1.624 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.850 -7.087 1.109 1.00 0.00 H new ATOM 1234 N ALA A 73 -5.944 0.723 2.223 1.00 0.00 N ATOM 1235 CA ALA A 73 -6.272 1.108 3.592 1.00 0.00 C ATOM 1236 C ALA A 73 -7.565 0.461 4.082 1.00 0.00 C ATOM 1237 O ALA A 73 -7.967 0.661 5.226 1.00 0.00 O ATOM 1238 CB ALA A 73 -6.358 2.621 3.703 1.00 0.00 C ATOM 0 H ALA A 73 -6.324 1.364 1.526 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.470 0.744 4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.603 2.897 4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.399 3.061 3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.133 2.992 3.032 1.00 0.00 H new ATOM 1244 N ASP A 74 -8.237 -0.276 3.204 1.00 0.00 N ATOM 1245 CA ASP A 74 -9.505 -0.913 3.545 1.00 0.00 C ATOM 1246 C ASP A 74 -9.303 -2.096 4.496 1.00 0.00 C ATOM 1247 O ASP A 74 -10.271 -2.731 4.918 1.00 0.00 O ATOM 1248 CB ASP A 74 -10.216 -1.386 2.276 1.00 0.00 C ATOM 1249 CG ASP A 74 -9.372 -2.347 1.464 1.00 0.00 C ATOM 1250 OD1 ASP A 74 -8.415 -2.920 2.027 1.00 0.00 O ATOM 1251 OD2 ASP A 74 -9.668 -2.528 0.263 1.00 0.00 O ATOM 0 H ASP A 74 -7.924 -0.448 2.248 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.121 -0.171 4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.154 -1.871 2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.470 -0.522 1.662 1.00 0.00 H new