USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=12 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 Single : A 1 MET CE :methyl -163:sc= 0 (180deg=-0.421) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.751 (180deg=0.307) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0266) USER MOD Single : A 8 LYS NZ :NH3+ 151:sc= -0.0511 (180deg=-0.602) USER MOD Single : A 11 ASN : amide:sc= -3.43! C(o=-3.4!,f=-6.3!) USER MOD Single : A 15 LYS NZ :NH3+ -166:sc= 0.00234 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -112:sc= -13.2! (180deg=-25.6!) USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.369) USER MOD Single : A 21 TYR OH : rot 165:sc= -0.752 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0548) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -2.88 X(o=-2.9,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -5.7! C(o=-5.7!,f=-4.2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.4) USER MOD Single : A 63 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.16) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.655 -3.555 2.799 1.00 0.00 N ATOM 2 CA MET A 1 16.848 -2.742 1.896 1.00 0.00 C ATOM 3 C MET A 1 16.545 -1.379 2.551 1.00 0.00 C ATOM 4 O MET A 1 16.475 -1.296 3.777 1.00 0.00 O ATOM 5 CB MET A 1 15.555 -3.496 1.559 1.00 0.00 C ATOM 6 CG MET A 1 15.748 -4.593 0.526 1.00 0.00 C ATOM 7 SD MET A 1 16.340 -6.133 1.253 1.00 0.00 S ATOM 8 CE MET A 1 14.854 -7.130 1.187 1.00 0.00 C ATOM 0 H1 MET A 1 17.460 -4.562 2.628 1.00 0.00 H new ATOM 0 H2 MET A 1 18.663 -3.364 2.630 1.00 0.00 H new ATOM 0 H3 MET A 1 17.418 -3.319 3.784 1.00 0.00 H new ATOM 0 HA MET A 1 17.394 -2.557 0.971 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.150 -3.934 2.471 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.815 -2.786 1.190 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.803 -4.776 0.015 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.458 -4.255 -0.229 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.959 -7.984 1.857 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.999 -6.529 1.496 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.699 -7.485 0.168 1.00 0.00 H new ATOM 18 N ASP A 2 16.371 -0.302 1.758 1.00 0.00 N ATOM 19 CA ASP A 2 16.089 1.013 2.343 1.00 0.00 C ATOM 20 C ASP A 2 14.978 1.700 1.584 1.00 0.00 C ATOM 21 O ASP A 2 15.149 2.099 0.441 1.00 0.00 O ATOM 22 CB ASP A 2 17.343 1.887 2.348 1.00 0.00 C ATOM 23 CG ASP A 2 18.575 1.134 2.812 1.00 0.00 C ATOM 24 OD1 ASP A 2 19.142 0.367 2.006 1.00 0.00 O ATOM 25 OD2 ASP A 2 18.973 1.312 3.982 1.00 0.00 O ATOM 0 H ASP A 2 16.420 -0.319 0.739 1.00 0.00 H new ATOM 0 HA ASP A 2 15.770 0.864 3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 2 17.515 2.275 1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 2 17.180 2.746 2.998 1.00 0.00 H new ATOM 30 N LEU A 3 13.831 1.832 2.191 1.00 0.00 N ATOM 31 CA LEU A 3 12.726 2.437 1.491 1.00 0.00 C ATOM 32 C LEU A 3 12.563 3.919 1.782 1.00 0.00 C ATOM 33 O LEU A 3 12.143 4.307 2.871 1.00 0.00 O ATOM 34 CB LEU A 3 11.457 1.680 1.859 1.00 0.00 C ATOM 35 CG LEU A 3 10.260 1.801 0.916 1.00 0.00 C ATOM 36 CD1 LEU A 3 9.411 3.004 1.279 1.00 0.00 C ATOM 37 CD2 LEU A 3 10.691 1.853 -0.543 1.00 0.00 C ATOM 0 H LEU A 3 13.636 1.537 3.148 1.00 0.00 H new ATOM 0 HA LEU A 3 12.928 2.369 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.710 0.623 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.141 2.015 2.847 1.00 0.00 H new ATOM 0 HG LEU A 3 9.653 0.904 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.565 3.072 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.045 2.896 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.012 3.910 1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.810 1.939 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.338 2.716 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.233 0.942 -0.795 1.00 0.00 H new ATOM 49 N ILE A 4 12.809 4.738 0.761 1.00 0.00 N ATOM 50 CA ILE A 4 12.581 6.173 0.897 1.00 0.00 C ATOM 51 C ILE A 4 11.301 6.474 0.159 1.00 0.00 C ATOM 52 O ILE A 4 11.188 6.258 -1.048 1.00 0.00 O ATOM 53 CB ILE A 4 13.698 7.060 0.344 1.00 0.00 C ATOM 54 CG1 ILE A 4 14.282 6.466 -0.941 1.00 0.00 C ATOM 55 CG2 ILE A 4 14.776 7.286 1.396 1.00 0.00 C ATOM 56 CD1 ILE A 4 15.266 5.335 -0.713 1.00 0.00 C ATOM 0 H ILE A 4 13.158 4.441 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 4 12.539 6.403 1.962 1.00 0.00 H new ATOM 0 HB ILE A 4 13.272 8.031 0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 4 13.465 6.101 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 4 14.780 7.258 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 4 15.561 7.919 0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 4 14.338 7.773 2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 4 15.202 6.327 1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 4 15.632 4.972 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 4 16.105 5.697 -0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 4 14.770 4.522 -0.183 1.00 0.00 H new ATOM 68 N ILE A 5 10.317 6.864 0.921 1.00 0.00 N ATOM 69 CA ILE A 5 8.990 7.082 0.410 1.00 0.00 C ATOM 70 C ILE A 5 8.508 8.545 0.325 1.00 0.00 C ATOM 71 O ILE A 5 8.719 9.344 1.238 1.00 0.00 O ATOM 72 CB ILE A 5 8.051 6.258 1.279 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.736 6.014 0.564 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.876 6.923 2.631 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.801 4.848 -0.388 1.00 0.00 C ATOM 0 H ILE A 5 10.413 7.041 1.921 1.00 0.00 H new ATOM 0 HA ILE A 5 8.998 6.775 -0.636 1.00 0.00 H new ATOM 0 HB ILE A 5 8.489 5.276 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.954 5.833 1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.454 6.912 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.202 6.326 3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.844 7.002 3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.456 7.919 2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.833 4.719 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.562 5.038 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.055 3.942 0.163 1.00 0.00 H new ATOM 87 N LYS A 6 7.768 8.836 -0.746 1.00 0.00 N ATOM 88 CA LYS A 6 7.122 10.139 -0.949 1.00 0.00 C ATOM 89 C LYS A 6 5.633 9.833 -1.143 1.00 0.00 C ATOM 90 O LYS A 6 5.141 9.695 -2.264 1.00 0.00 O ATOM 91 CB LYS A 6 7.699 10.893 -2.147 1.00 0.00 C ATOM 92 CG LYS A 6 8.046 12.342 -1.845 1.00 0.00 C ATOM 93 CD LYS A 6 7.988 13.203 -3.096 1.00 0.00 C ATOM 94 CE LYS A 6 7.426 14.584 -2.799 1.00 0.00 C ATOM 95 NZ LYS A 6 8.275 15.335 -1.834 1.00 0.00 N ATOM 0 H LYS A 6 7.598 8.173 -1.502 1.00 0.00 H new ATOM 0 HA LYS A 6 7.293 10.795 -0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.595 10.378 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.979 10.863 -2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.354 12.735 -1.100 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.045 12.395 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.988 13.300 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.370 12.712 -3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.345 15.150 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.418 14.486 -2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.914 16.306 -1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.250 14.862 -0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.255 15.363 -2.182 1.00 0.00 H new ATOM 109 N GLU A 7 4.977 9.607 -0.011 1.00 0.00 N ATOM 110 CA GLU A 7 3.577 9.165 0.055 1.00 0.00 C ATOM 111 C GLU A 7 2.512 10.233 -0.172 1.00 0.00 C ATOM 112 O GLU A 7 2.569 11.322 0.401 1.00 0.00 O ATOM 113 CB GLU A 7 3.387 8.470 1.396 1.00 0.00 C ATOM 114 CG GLU A 7 4.638 7.704 1.802 1.00 0.00 C ATOM 115 CD GLU A 7 5.359 8.403 2.939 1.00 0.00 C ATOM 116 OE1 GLU A 7 4.988 8.184 4.110 1.00 0.00 O ATOM 117 OE2 GLU A 7 6.277 9.200 2.654 1.00 0.00 O ATOM 0 H GLU A 7 5.405 9.726 0.907 1.00 0.00 H new ATOM 0 HA GLU A 7 3.418 8.495 -0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.146 9.209 2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.541 7.785 1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.367 6.693 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.306 7.611 0.946 1.00 0.00 H new ATOM 124 N LYS A 8 1.496 9.869 -0.980 1.00 0.00 N ATOM 125 CA LYS A 8 0.373 10.734 -1.249 1.00 0.00 C ATOM 126 C LYS A 8 -0.875 9.870 -1.103 1.00 0.00 C ATOM 127 O LYS A 8 -1.038 8.920 -1.851 1.00 0.00 O ATOM 128 CB LYS A 8 0.453 11.336 -2.658 1.00 0.00 C ATOM 129 CG LYS A 8 1.872 11.503 -3.178 1.00 0.00 C ATOM 130 CD LYS A 8 2.055 12.836 -3.888 1.00 0.00 C ATOM 131 CE LYS A 8 1.116 12.973 -5.075 1.00 0.00 C ATOM 132 NZ LYS A 8 -0.011 13.903 -4.787 1.00 0.00 N ATOM 0 H LYS A 8 1.448 8.967 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 8 0.360 11.576 -0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.103 10.699 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.039 12.309 -2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.575 11.433 -2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.107 10.689 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.875 13.650 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.087 12.929 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.673 13.335 -5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.719 11.993 -5.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.325 14.352 -5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.801 13.372 -4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.305 14.636 -4.120 1.00 0.00 H new ATOM 146 N ARG A 9 -1.718 10.126 -0.110 1.00 0.00 N ATOM 147 CA ARG A 9 -2.876 9.250 0.105 1.00 0.00 C ATOM 148 C ARG A 9 -4.228 9.941 0.004 1.00 0.00 C ATOM 149 O ARG A 9 -4.440 11.025 0.545 1.00 0.00 O ATOM 150 CB ARG A 9 -2.763 8.582 1.478 1.00 0.00 C ATOM 151 CG ARG A 9 -1.376 8.036 1.787 1.00 0.00 C ATOM 152 CD ARG A 9 -1.040 8.176 3.264 1.00 0.00 C ATOM 153 NE ARG A 9 -1.155 9.558 3.724 1.00 0.00 N ATOM 154 CZ ARG A 9 -0.237 10.494 3.495 1.00 0.00 C ATOM 155 NH1 ARG A 9 0.862 10.201 2.809 1.00 0.00 N ATOM 156 NH2 ARG A 9 -0.417 11.725 3.950 1.00 0.00 N ATOM 0 H ARG A 9 -1.633 10.905 0.543 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.845 8.522 -0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.037 9.305 2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.484 7.767 1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.324 6.986 1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.633 8.567 1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.707 7.543 3.849 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.025 7.819 3.440 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.988 9.821 4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.005 9.255 2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.563 10.922 2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.260 11.956 4.476 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.287 12.442 3.774 1.00 0.00 H new ATOM 170 N ASP A 10 -5.158 9.243 -0.650 1.00 0.00 N ATOM 171 CA ASP A 10 -6.527 9.708 -0.790 1.00 0.00 C ATOM 172 C ASP A 10 -7.467 8.604 -0.304 1.00 0.00 C ATOM 173 O ASP A 10 -7.531 7.498 -0.879 1.00 0.00 O ATOM 174 CB ASP A 10 -6.834 10.063 -2.246 1.00 0.00 C ATOM 175 CG ASP A 10 -8.213 10.672 -2.414 1.00 0.00 C ATOM 176 OD1 ASP A 10 -8.352 11.893 -2.193 1.00 0.00 O ATOM 177 OD2 ASP A 10 -9.151 9.927 -2.765 1.00 0.00 O ATOM 0 H ASP A 10 -4.978 8.343 -1.094 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.668 10.609 -0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.083 10.763 -2.612 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.759 9.165 -2.860 1.00 0.00 H new ATOM 182 N ASN A 11 -8.202 8.870 0.760 1.00 0.00 N ATOM 183 CA ASN A 11 -9.080 7.842 1.253 1.00 0.00 C ATOM 184 C ASN A 11 -10.542 8.248 1.202 1.00 0.00 C ATOM 185 O ASN A 11 -10.990 9.114 1.953 1.00 0.00 O ATOM 186 CB ASN A 11 -8.703 7.515 2.699 1.00 0.00 C ATOM 187 CG ASN A 11 -7.336 6.864 2.807 1.00 0.00 C ATOM 188 OD1 ASN A 11 -6.799 6.359 1.820 1.00 0.00 O ATOM 189 ND2 ASN A 11 -6.770 6.872 4.006 1.00 0.00 N ATOM 0 H ASN A 11 -8.208 9.750 1.276 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.959 6.972 0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.714 8.430 3.291 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.454 6.850 3.126 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.852 6.448 4.139 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.253 7.302 4.795 1.00 0.00 H new ATOM 196 N PRO A 12 -11.321 7.578 0.339 1.00 0.00 N ATOM 197 CA PRO A 12 -12.733 7.789 0.193 1.00 0.00 C ATOM 198 C PRO A 12 -13.466 6.603 0.827 1.00 0.00 C ATOM 199 O PRO A 12 -13.370 6.390 2.036 1.00 0.00 O ATOM 200 CB PRO A 12 -12.851 7.796 -1.331 1.00 0.00 C ATOM 201 CG PRO A 12 -11.838 6.778 -1.782 1.00 0.00 C ATOM 202 CD PRO A 12 -10.899 6.541 -0.610 1.00 0.00 C ATOM 0 HA PRO A 12 -13.149 8.681 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.857 7.528 -1.654 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.636 8.782 -1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.328 5.850 -2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.288 7.139 -2.651 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.011 5.539 -0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.853 6.653 -0.897 1.00 0.00 H new ATOM 210 N ILE A 13 -14.155 5.810 0.016 1.00 0.00 N ATOM 211 CA ILE A 13 -14.838 4.630 0.513 1.00 0.00 C ATOM 212 C ILE A 13 -13.846 3.518 0.880 1.00 0.00 C ATOM 213 O ILE A 13 -14.028 2.807 1.868 1.00 0.00 O ATOM 214 CB ILE A 13 -15.798 4.073 -0.554 1.00 0.00 C ATOM 215 CG1 ILE A 13 -14.979 3.442 -1.687 1.00 0.00 C ATOM 216 CG2 ILE A 13 -16.705 5.174 -1.085 1.00 0.00 C ATOM 217 CD1 ILE A 13 -15.788 3.033 -2.898 1.00 0.00 C ATOM 0 H ILE A 13 -14.254 5.965 -0.987 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.389 4.935 1.402 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.435 3.309 -0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.212 4.150 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.462 2.564 -1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -17.376 4.761 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -17.291 5.590 -0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -16.098 5.961 -1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.127 2.597 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -16.537 2.298 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -16.284 3.909 -3.317 1.00 0.00 H new ATOM 229 N LEU A 14 -12.828 3.338 0.026 1.00 0.00 N ATOM 230 CA LEU A 14 -11.844 2.269 0.206 1.00 0.00 C ATOM 231 C LEU A 14 -10.489 2.719 0.668 1.00 0.00 C ATOM 232 O LEU A 14 -9.597 1.884 0.826 1.00 0.00 O ATOM 233 CB LEU A 14 -11.749 1.397 -1.055 1.00 0.00 C ATOM 234 CG LEU A 14 -11.037 1.995 -2.286 1.00 0.00 C ATOM 235 CD1 LEU A 14 -10.992 3.519 -2.258 1.00 0.00 C ATOM 236 CD2 LEU A 14 -9.633 1.422 -2.410 1.00 0.00 C ATOM 0 H LEU A 14 -12.667 3.921 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.224 1.668 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.237 0.473 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.762 1.125 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.622 1.715 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.480 3.884 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.008 3.913 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.456 3.851 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.140 1.851 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.061 1.664 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.690 0.339 -2.522 1.00 0.00 H new ATOM 248 N LYS A 15 -10.328 3.985 1.002 1.00 0.00 N ATOM 249 CA LYS A 15 -9.063 4.373 1.569 1.00 0.00 C ATOM 250 C LYS A 15 -7.877 4.056 0.639 1.00 0.00 C ATOM 251 O LYS A 15 -6.949 3.352 1.040 1.00 0.00 O ATOM 252 CB LYS A 15 -8.969 3.611 2.885 1.00 0.00 C ATOM 253 CG LYS A 15 -9.388 4.441 4.079 1.00 0.00 C ATOM 254 CD LYS A 15 -10.836 4.892 3.923 1.00 0.00 C ATOM 255 CE LYS A 15 -11.317 5.664 5.141 1.00 0.00 C ATOM 256 NZ LYS A 15 -12.800 5.635 5.267 1.00 0.00 N ATOM 0 H LYS A 15 -11.022 4.725 0.896 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.011 5.452 1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.597 2.722 2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.944 3.269 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.277 3.858 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.737 5.310 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.929 5.518 3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.474 4.022 3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.868 5.241 6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.979 6.698 5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.104 6.354 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.231 5.836 4.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.102 4.695 5.592 1.00 0.00 H new ATOM 270 N ARG A 16 -7.927 4.526 -0.614 1.00 0.00 N ATOM 271 CA ARG A 16 -6.867 4.225 -1.582 1.00 0.00 C ATOM 272 C ARG A 16 -5.809 5.312 -1.626 1.00 0.00 C ATOM 273 O ARG A 16 -6.126 6.493 -1.712 1.00 0.00 O ATOM 274 CB ARG A 16 -7.465 4.044 -2.977 1.00 0.00 C ATOM 275 CG ARG A 16 -6.457 3.576 -4.015 1.00 0.00 C ATOM 276 CD ARG A 16 -6.542 4.402 -5.289 1.00 0.00 C ATOM 277 NE ARG A 16 -5.269 4.436 -6.005 1.00 0.00 N ATOM 278 CZ ARG A 16 -4.986 5.305 -6.974 1.00 0.00 C ATOM 279 NH1 ARG A 16 -5.880 6.215 -7.341 1.00 0.00 N ATOM 280 NH2 ARG A 16 -3.804 5.264 -7.574 1.00 0.00 N ATOM 0 H ARG A 16 -8.681 5.109 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.388 3.301 -1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.280 3.322 -2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.898 4.990 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.450 3.645 -3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.635 2.526 -4.249 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.313 3.988 -5.939 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.846 5.419 -5.042 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.555 3.754 -5.748 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.789 6.251 -6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.658 6.878 -8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.113 4.568 -7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.586 5.929 -8.316 1.00 0.00 H new ATOM 294 N LYS A 17 -4.542 4.920 -1.577 1.00 0.00 N ATOM 295 CA LYS A 17 -3.479 5.925 -1.618 1.00 0.00 C ATOM 296 C LYS A 17 -2.489 5.685 -2.761 1.00 0.00 C ATOM 297 O LYS A 17 -2.392 4.563 -3.286 1.00 0.00 O ATOM 298 CB LYS A 17 -2.795 6.027 -0.254 1.00 0.00 C ATOM 299 CG LYS A 17 -1.951 4.832 0.125 1.00 0.00 C ATOM 300 CD LYS A 17 -0.629 4.843 -0.617 1.00 0.00 C ATOM 301 CE LYS A 17 -0.570 3.728 -1.637 1.00 0.00 C ATOM 302 NZ LYS A 17 -0.176 4.202 -2.970 1.00 0.00 N ATOM 0 H LYS A 17 -4.229 3.951 -1.511 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.936 6.891 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.165 6.916 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.559 6.171 0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.769 4.837 1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.492 3.913 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.495 5.803 -1.115 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.191 4.735 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.138 2.970 -1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.546 3.247 -1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.982 4.115 -3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.116 5.199 -2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.617 3.629 -3.322 1.00 0.00 H new ATOM 316 N GLU A 18 -1.766 6.768 -3.136 1.00 0.00 N ATOM 317 CA GLU A 18 -0.768 6.758 -4.207 1.00 0.00 C ATOM 318 C GLU A 18 0.509 7.403 -3.690 1.00 0.00 C ATOM 319 O GLU A 18 0.556 8.605 -3.441 1.00 0.00 O ATOM 320 CB GLU A 18 -1.261 7.507 -5.442 1.00 0.00 C ATOM 321 CG GLU A 18 -2.762 7.753 -5.468 1.00 0.00 C ATOM 322 CD GLU A 18 -3.247 8.250 -6.817 1.00 0.00 C ATOM 323 OE1 GLU A 18 -2.550 8.010 -7.824 1.00 0.00 O ATOM 324 OE2 GLU A 18 -4.326 8.879 -6.864 1.00 0.00 O ATOM 0 H GLU A 18 -1.869 7.680 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.583 5.725 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.747 8.466 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.982 6.941 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.283 6.829 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.020 8.483 -4.701 1.00 0.00 H new ATOM 331 N ILE A 19 1.525 6.597 -3.492 1.00 0.00 N ATOM 332 CA ILE A 19 2.780 7.068 -2.949 1.00 0.00 C ATOM 333 C ILE A 19 3.943 6.580 -3.773 1.00 0.00 C ATOM 334 O ILE A 19 3.884 5.517 -4.378 1.00 0.00 O ATOM 335 CB ILE A 19 2.982 6.640 -1.486 1.00 0.00 C ATOM 336 CG1 ILE A 19 3.515 5.234 -1.408 1.00 0.00 C ATOM 337 CG2 ILE A 19 1.683 6.745 -0.700 1.00 0.00 C ATOM 338 CD1 ILE A 19 2.612 4.248 -2.075 1.00 0.00 C ATOM 0 H ILE A 19 1.507 5.599 -3.702 1.00 0.00 H new ATOM 0 HA ILE A 19 2.738 8.157 -2.983 1.00 0.00 H new ATOM 0 HB ILE A 19 3.711 7.318 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.500 5.195 -1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.646 4.955 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.856 6.436 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.331 7.776 -0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.931 6.098 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.040 3.249 -1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.635 4.266 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.502 4.509 -3.127 1.00 0.00 H new ATOM 350 N LYS A 20 4.993 7.359 -3.799 1.00 0.00 N ATOM 351 CA LYS A 20 6.175 6.982 -4.564 1.00 0.00 C ATOM 352 C LYS A 20 7.185 6.308 -3.630 1.00 0.00 C ATOM 353 O LYS A 20 7.331 6.718 -2.480 1.00 0.00 O ATOM 354 CB LYS A 20 6.800 8.224 -5.167 1.00 0.00 C ATOM 355 CG LYS A 20 7.763 8.879 -4.208 1.00 0.00 C ATOM 356 CD LYS A 20 9.154 8.300 -4.371 1.00 0.00 C ATOM 357 CE LYS A 20 10.229 9.366 -4.234 1.00 0.00 C ATOM 358 NZ LYS A 20 11.545 8.899 -4.750 1.00 0.00 N ATOM 0 H LYS A 20 5.064 8.251 -3.309 1.00 0.00 H new ATOM 0 HA LYS A 20 5.893 6.293 -5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.323 7.960 -6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.017 8.932 -5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.787 9.954 -4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.420 8.733 -3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.315 7.524 -3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.237 7.823 -5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.924 10.261 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.329 9.647 -3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.310 9.393 -4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.635 7.874 -4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.611 9.103 -5.768 1.00 0.00 H new ATOM 372 N TYR A 21 7.838 5.241 -4.096 1.00 0.00 N ATOM 373 CA TYR A 21 8.768 4.511 -3.233 1.00 0.00 C ATOM 374 C TYR A 21 10.081 4.053 -3.908 1.00 0.00 C ATOM 375 O TYR A 21 10.110 3.711 -5.094 1.00 0.00 O ATOM 376 CB TYR A 21 8.011 3.300 -2.659 1.00 0.00 C ATOM 377 CG TYR A 21 8.080 2.048 -3.514 1.00 0.00 C ATOM 378 CD1 TYR A 21 7.986 2.119 -4.900 1.00 0.00 C ATOM 379 CD2 TYR A 21 8.232 0.796 -2.935 1.00 0.00 C ATOM 380 CE1 TYR A 21 8.044 0.979 -5.678 1.00 0.00 C ATOM 381 CE2 TYR A 21 8.291 -0.349 -3.706 1.00 0.00 C ATOM 382 CZ TYR A 21 8.198 -0.252 -5.079 1.00 0.00 C ATOM 383 OH TYR A 21 8.256 -1.390 -5.851 1.00 0.00 O ATOM 0 H TYR A 21 7.744 4.871 -5.042 1.00 0.00 H new ATOM 0 HA TYR A 21 9.097 5.204 -2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.412 3.072 -1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.965 3.574 -2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.866 3.081 -5.376 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.306 0.715 -1.861 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.969 1.053 -6.753 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.409 -1.314 -3.237 1.00 0.00 H new ATOM 0 HH TYR A 21 8.599 -2.133 -5.313 1.00 0.00 H new ATOM 393 N VAL A 22 11.148 3.974 -3.087 1.00 0.00 N ATOM 394 CA VAL A 22 12.465 3.456 -3.515 1.00 0.00 C ATOM 395 C VAL A 22 13.017 2.569 -2.408 1.00 0.00 C ATOM 396 O VAL A 22 13.064 2.974 -1.253 1.00 0.00 O ATOM 397 CB VAL A 22 13.557 4.529 -3.839 1.00 0.00 C ATOM 398 CG1 VAL A 22 14.971 3.999 -3.536 1.00 0.00 C ATOM 399 CG2 VAL A 22 13.521 4.931 -5.296 1.00 0.00 C ATOM 0 H VAL A 22 11.122 4.267 -2.110 1.00 0.00 H new ATOM 0 HA VAL A 22 12.269 2.932 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 22 13.336 5.390 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.706 4.768 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.044 3.739 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.165 3.114 -4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.292 5.677 -5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.701 4.055 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.543 5.350 -5.534 1.00 0.00 H new ATOM 409 N LEU A 23 13.480 1.389 -2.774 1.00 0.00 N ATOM 410 CA LEU A 23 14.067 0.474 -1.854 1.00 0.00 C ATOM 411 C LEU A 23 15.533 0.398 -2.215 1.00 0.00 C ATOM 412 O LEU A 23 15.877 0.111 -3.362 1.00 0.00 O ATOM 413 CB LEU A 23 13.400 -0.911 -1.997 1.00 0.00 C ATOM 414 CG LEU A 23 13.895 -2.014 -1.041 1.00 0.00 C ATOM 415 CD1 LEU A 23 12.785 -2.454 -0.090 1.00 0.00 C ATOM 416 CD2 LEU A 23 14.416 -3.220 -1.827 1.00 0.00 C ATOM 0 H LEU A 23 13.452 1.048 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 23 13.934 0.796 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.327 -0.790 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.546 -1.256 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 23 14.712 -1.598 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.162 -3.233 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.454 -1.601 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.945 -2.843 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.760 -3.986 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.615 -3.625 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.244 -2.909 -2.464 1.00 0.00 H new ATOM 428 N LYS A 24 16.397 0.666 -1.266 1.00 0.00 N ATOM 429 CA LYS A 24 17.807 0.628 -1.546 1.00 0.00 C ATOM 430 C LYS A 24 18.326 -0.671 -1.026 1.00 0.00 C ATOM 431 O LYS A 24 18.210 -0.985 0.147 1.00 0.00 O ATOM 432 CB LYS A 24 18.526 1.794 -0.859 1.00 0.00 C ATOM 433 CG LYS A 24 17.790 3.120 -0.970 1.00 0.00 C ATOM 434 CD LYS A 24 18.331 4.143 0.014 1.00 0.00 C ATOM 435 CE LYS A 24 18.244 5.553 -0.544 1.00 0.00 C ATOM 436 NZ LYS A 24 19.567 6.239 -0.532 1.00 0.00 N ATOM 0 H LYS A 24 16.151 0.909 -0.306 1.00 0.00 H new ATOM 0 HA LYS A 24 17.984 0.718 -2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.664 1.553 0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.519 1.903 -1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.884 3.505 -1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.727 2.964 -0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.770 4.084 0.947 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.369 3.908 0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.863 5.516 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.530 6.132 0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.464 7.198 -0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.919 6.297 0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.242 5.701 -1.112 1.00 0.00 H new ATOM 450 N PHE A 25 18.871 -1.449 -1.919 1.00 0.00 N ATOM 451 CA PHE A 25 19.349 -2.743 -1.548 1.00 0.00 C ATOM 452 C PHE A 25 20.862 -2.816 -1.610 1.00 0.00 C ATOM 453 O PHE A 25 21.486 -2.371 -2.573 1.00 0.00 O ATOM 454 CB PHE A 25 18.685 -3.787 -2.448 1.00 0.00 C ATOM 455 CG PHE A 25 18.292 -3.288 -3.815 1.00 0.00 C ATOM 456 CD1 PHE A 25 17.121 -2.570 -4.001 1.00 0.00 C ATOM 457 CD2 PHE A 25 19.094 -3.548 -4.918 1.00 0.00 C ATOM 458 CE1 PHE A 25 16.757 -2.121 -5.256 1.00 0.00 C ATOM 459 CE2 PHE A 25 18.734 -3.101 -6.174 1.00 0.00 C ATOM 460 CZ PHE A 25 17.565 -2.387 -6.344 1.00 0.00 C ATOM 0 H PHE A 25 18.993 -1.208 -2.903 1.00 0.00 H new ATOM 0 HA PHE A 25 19.081 -2.948 -0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 25 19.366 -4.629 -2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 25 17.795 -4.165 -1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.485 -2.359 -3.154 1.00 0.00 H new ATOM 0 HD2 PHE A 25 20.010 -4.106 -4.792 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.842 -1.563 -5.386 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.367 -3.310 -7.023 1.00 0.00 H new ATOM 0 HZ PHE A 25 17.283 -2.037 -7.326 1.00 0.00 H new ATOM 470 N ASP A 26 21.441 -3.372 -0.555 1.00 0.00 N ATOM 471 CA ASP A 26 22.895 -3.498 -0.462 1.00 0.00 C ATOM 472 C ASP A 26 23.306 -4.747 0.309 1.00 0.00 C ATOM 473 O ASP A 26 22.474 -5.415 0.921 1.00 0.00 O ATOM 474 CB ASP A 26 23.488 -2.257 0.207 1.00 0.00 C ATOM 475 CG ASP A 26 22.886 -1.991 1.571 1.00 0.00 C ATOM 476 OD1 ASP A 26 23.399 -2.546 2.565 1.00 0.00 O ATOM 477 OD2 ASP A 26 21.900 -1.226 1.647 1.00 0.00 O ATOM 0 H ASP A 26 20.932 -3.743 0.247 1.00 0.00 H new ATOM 0 HA ASP A 26 23.284 -3.588 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 26 24.566 -2.382 0.307 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.326 -1.390 -0.434 1.00 0.00 H new ATOM 567 N ARG A 33 9.879 -10.646 2.011 1.00 0.00 N ATOM 568 CA ARG A 33 8.456 -10.336 1.934 1.00 0.00 C ATOM 569 C ARG A 33 8.094 -9.166 2.846 1.00 0.00 C ATOM 570 O ARG A 33 7.437 -8.215 2.431 1.00 0.00 O ATOM 571 CB ARG A 33 7.626 -11.564 2.311 1.00 0.00 C ATOM 572 CG ARG A 33 7.493 -12.578 1.186 1.00 0.00 C ATOM 573 CD ARG A 33 8.671 -13.541 1.158 1.00 0.00 C ATOM 574 NE ARG A 33 8.267 -14.909 1.474 1.00 0.00 N ATOM 575 CZ ARG A 33 9.116 -15.867 1.841 1.00 0.00 C ATOM 576 NH1 ARG A 33 10.415 -15.610 1.938 1.00 0.00 N ATOM 577 NH2 ARG A 33 8.665 -17.084 2.112 1.00 0.00 N ATOM 0 HA ARG A 33 8.231 -10.050 0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.082 -12.049 3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.631 -11.240 2.616 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.567 -13.139 1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.426 -12.056 0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.134 -13.518 0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.426 -13.212 1.872 1.00 0.00 H new ATOM 0 HE ARG A 33 7.277 -15.144 1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.767 -14.675 1.731 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.061 -16.347 2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.668 -17.286 2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.315 -17.818 2.393 1.00 0.00 H new ATOM 591 N GLU A 34 8.526 -9.272 4.098 1.00 0.00 N ATOM 592 CA GLU A 34 8.260 -8.257 5.116 1.00 0.00 C ATOM 593 C GLU A 34 9.123 -7.008 4.964 1.00 0.00 C ATOM 594 O GLU A 34 8.628 -5.891 5.089 1.00 0.00 O ATOM 595 CB GLU A 34 8.468 -8.855 6.507 1.00 0.00 C ATOM 596 CG GLU A 34 7.699 -8.133 7.601 1.00 0.00 C ATOM 597 CD GLU A 34 6.683 -9.024 8.288 1.00 0.00 C ATOM 598 OE1 GLU A 34 5.572 -9.191 7.741 1.00 0.00 O ATOM 599 OE2 GLU A 34 6.998 -9.555 9.374 1.00 0.00 O ATOM 0 H GLU A 34 9.071 -10.064 4.438 1.00 0.00 H new ATOM 0 HA GLU A 34 7.224 -7.944 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.165 -9.902 6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.531 -8.834 6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.402 -7.752 8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.189 -7.271 7.172 1.00 0.00 H new ATOM 606 N GLU A 35 10.423 -7.200 4.769 1.00 0.00 N ATOM 607 CA GLU A 35 11.347 -6.074 4.695 1.00 0.00 C ATOM 608 C GLU A 35 10.989 -5.066 3.607 1.00 0.00 C ATOM 609 O GLU A 35 10.869 -3.880 3.894 1.00 0.00 O ATOM 610 CB GLU A 35 12.774 -6.577 4.472 1.00 0.00 C ATOM 611 CG GLU A 35 13.209 -7.639 5.470 1.00 0.00 C ATOM 612 CD GLU A 35 14.133 -7.089 6.540 1.00 0.00 C ATOM 613 OE1 GLU A 35 13.688 -6.219 7.317 1.00 0.00 O ATOM 614 OE2 GLU A 35 15.299 -7.528 6.600 1.00 0.00 O ATOM 0 H GLU A 35 10.858 -8.116 4.660 1.00 0.00 H new ATOM 0 HA GLU A 35 11.270 -5.554 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.853 -6.984 3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.461 -5.733 4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.327 -8.071 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.713 -8.446 4.939 1.00 0.00 H new ATOM 621 N ILE A 36 10.806 -5.512 2.369 1.00 0.00 N ATOM 622 CA ILE A 36 10.467 -4.580 1.299 1.00 0.00 C ATOM 623 C ILE A 36 9.013 -4.128 1.395 1.00 0.00 C ATOM 624 O ILE A 36 8.722 -2.944 1.453 1.00 0.00 O ATOM 625 CB ILE A 36 10.735 -5.184 -0.101 1.00 0.00 C ATOM 626 CG1 ILE A 36 10.520 -4.120 -1.193 1.00 0.00 C ATOM 627 CG2 ILE A 36 9.874 -6.419 -0.333 1.00 0.00 C ATOM 628 CD1 ILE A 36 9.323 -4.363 -2.093 1.00 0.00 C ATOM 0 H ILE A 36 10.884 -6.489 2.085 1.00 0.00 H new ATOM 0 HA ILE A 36 11.115 -3.713 1.427 1.00 0.00 H new ATOM 0 HB ILE A 36 11.776 -5.505 -0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.405 -3.147 -0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.416 -4.068 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.080 -6.825 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.104 -7.170 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.821 -6.146 -0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.253 -3.563 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.441 -5.318 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.414 -4.383 -1.492 1.00 0.00 H new ATOM 640 N LYS A 37 8.116 -5.085 1.415 1.00 0.00 N ATOM 641 CA LYS A 37 6.671 -4.809 1.494 1.00 0.00 C ATOM 642 C LYS A 37 6.286 -4.011 2.718 1.00 0.00 C ATOM 643 O LYS A 37 5.633 -2.976 2.598 1.00 0.00 O ATOM 644 CB LYS A 37 5.862 -6.104 1.440 1.00 0.00 C ATOM 645 CG LYS A 37 6.248 -7.020 0.290 1.00 0.00 C ATOM 646 CD LYS A 37 5.468 -8.325 0.331 1.00 0.00 C ATOM 647 CE LYS A 37 3.992 -8.103 0.041 1.00 0.00 C ATOM 648 NZ LYS A 37 3.750 -7.767 -1.390 1.00 0.00 N ATOM 0 H LYS A 37 8.349 -6.077 1.378 1.00 0.00 H new ATOM 0 HA LYS A 37 6.434 -4.197 0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.991 -6.641 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.804 -5.857 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.063 -6.514 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.316 -7.232 0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.882 -9.021 -0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.581 -8.787 1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.432 -9.001 0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.616 -7.297 0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.727 -7.757 -1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.149 -6.830 -1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.205 -8.480 -1.996 1.00 0.00 H new ATOM 662 N GLU A 38 6.651 -4.467 3.888 1.00 0.00 N ATOM 663 CA GLU A 38 6.281 -3.736 5.072 1.00 0.00 C ATOM 664 C GLU A 38 6.992 -2.386 5.112 1.00 0.00 C ATOM 665 O GLU A 38 6.348 -1.348 5.220 1.00 0.00 O ATOM 666 CB GLU A 38 6.541 -4.573 6.317 1.00 0.00 C ATOM 667 CG GLU A 38 7.779 -4.177 7.116 1.00 0.00 C ATOM 668 CD GLU A 38 7.935 -4.985 8.389 1.00 0.00 C ATOM 669 OE1 GLU A 38 6.920 -5.524 8.877 1.00 0.00 O ATOM 670 OE2 GLU A 38 9.072 -5.079 8.897 1.00 0.00 O ATOM 0 H GLU A 38 7.190 -5.318 4.046 1.00 0.00 H new ATOM 0 HA GLU A 38 5.211 -3.529 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.670 -4.506 6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.638 -5.617 6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.665 -4.309 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.721 -3.118 7.367 1.00 0.00 H new ATOM 677 N LEU A 39 8.310 -2.375 4.992 1.00 0.00 N ATOM 678 CA LEU A 39 9.019 -1.110 5.006 1.00 0.00 C ATOM 679 C LEU A 39 8.493 -0.174 3.910 1.00 0.00 C ATOM 680 O LEU A 39 8.494 1.043 4.087 1.00 0.00 O ATOM 681 CB LEU A 39 10.539 -1.334 4.949 1.00 0.00 C ATOM 682 CG LEU A 39 11.279 -0.721 3.767 1.00 0.00 C ATOM 683 CD1 LEU A 39 12.719 -0.420 4.148 1.00 0.00 C ATOM 684 CD2 LEU A 39 11.228 -1.651 2.569 1.00 0.00 C ATOM 0 H LEU A 39 8.895 -3.204 4.887 1.00 0.00 H new ATOM 0 HA LEU A 39 8.824 -0.603 5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.976 -0.938 5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.724 -2.408 4.946 1.00 0.00 H new ATOM 0 HG LEU A 39 10.789 0.214 3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.237 0.018 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.736 0.282 4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.218 -1.343 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.761 -1.198 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.696 -2.601 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.190 -1.823 2.286 1.00 0.00 H new ATOM 696 N ILE A 40 8.013 -0.733 2.792 1.00 0.00 N ATOM 697 CA ILE A 40 7.462 0.107 1.727 1.00 0.00 C ATOM 698 C ILE A 40 6.061 0.610 2.060 1.00 0.00 C ATOM 699 O ILE A 40 5.848 1.802 2.035 1.00 0.00 O ATOM 700 CB ILE A 40 7.503 -0.546 0.333 1.00 0.00 C ATOM 701 CG1 ILE A 40 6.520 -1.697 0.218 1.00 0.00 C ATOM 702 CG2 ILE A 40 8.917 -1.000 0.004 1.00 0.00 C ATOM 703 CD1 ILE A 40 6.564 -2.366 -1.136 1.00 0.00 C ATOM 0 H ILE A 40 7.995 -1.736 2.605 1.00 0.00 H new ATOM 0 HA ILE A 40 8.127 0.969 1.675 1.00 0.00 H new ATOM 0 HB ILE A 40 7.200 0.206 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.738 -2.434 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.511 -1.328 0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.931 -1.460 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.587 -0.140 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.248 -1.726 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.841 -3.182 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.319 -1.638 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.564 -2.761 -1.314 1.00 0.00 H new ATOM 715 N ALA A 41 5.114 -0.270 2.389 1.00 0.00 N ATOM 716 CA ALA A 41 3.744 0.168 2.727 1.00 0.00 C ATOM 717 C ALA A 41 3.710 1.043 3.957 1.00 0.00 C ATOM 718 O ALA A 41 3.082 2.112 3.994 1.00 0.00 O ATOM 719 CB ALA A 41 2.840 -1.019 2.985 1.00 0.00 C ATOM 0 H ALA A 41 5.259 -1.279 2.431 1.00 0.00 H new ATOM 0 HA ALA A 41 3.394 0.738 1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.838 -0.667 3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.796 -1.643 2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.234 -1.603 3.817 1.00 0.00 H new ATOM 725 N LYS A 42 4.378 0.568 4.977 1.00 0.00 N ATOM 726 CA LYS A 42 4.412 1.257 6.235 1.00 0.00 C ATOM 727 C LYS A 42 4.890 2.672 5.994 1.00 0.00 C ATOM 728 O LYS A 42 4.191 3.629 6.341 1.00 0.00 O ATOM 729 CB LYS A 42 5.270 0.435 7.194 1.00 0.00 C ATOM 730 CG LYS A 42 4.811 -1.034 7.213 1.00 0.00 C ATOM 731 CD LYS A 42 5.367 -1.806 8.396 1.00 0.00 C ATOM 732 CE LYS A 42 4.566 -3.080 8.642 1.00 0.00 C ATOM 733 NZ LYS A 42 3.785 -3.006 9.910 1.00 0.00 N ATOM 0 H LYS A 42 4.910 -0.302 4.957 1.00 0.00 H new ATOM 0 HA LYS A 42 3.432 1.352 6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.316 0.490 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.205 0.854 8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.722 -1.070 7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.123 -1.520 6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.411 -2.059 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.343 -1.179 9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.887 -3.250 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.243 -3.933 8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.254 -3.890 10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.435 -2.869 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.121 -2.207 9.863 1.00 0.00 H new ATOM 747 N HIS A 43 6.006 2.796 5.286 1.00 0.00 N ATOM 748 CA HIS A 43 6.512 4.100 4.894 1.00 0.00 C ATOM 749 C HIS A 43 5.492 4.781 4.007 1.00 0.00 C ATOM 750 O HIS A 43 5.191 5.959 4.158 1.00 0.00 O ATOM 751 CB HIS A 43 7.791 3.954 4.094 1.00 0.00 C ATOM 752 CG HIS A 43 9.010 3.711 4.927 1.00 0.00 C ATOM 753 ND1 HIS A 43 9.062 2.765 5.931 1.00 0.00 N ATOM 754 CD2 HIS A 43 10.231 4.298 4.906 1.00 0.00 C ATOM 755 CE1 HIS A 43 10.259 2.782 6.489 1.00 0.00 C ATOM 756 NE2 HIS A 43 10.987 3.703 5.885 1.00 0.00 N ATOM 0 H HIS A 43 6.575 2.009 4.973 1.00 0.00 H new ATOM 0 HA HIS A 43 6.703 4.681 5.796 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.675 3.129 3.391 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.942 4.858 3.503 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.550 5.088 4.242 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.587 2.150 7.301 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.955 3.935 6.110 1.00 0.00 H new ATOM 765 N GLU A 44 4.960 3.995 3.078 1.00 0.00 N ATOM 766 CA GLU A 44 3.960 4.452 2.132 1.00 0.00 C ATOM 767 C GLU A 44 2.820 5.162 2.831 1.00 0.00 C ATOM 768 O GLU A 44 1.999 5.823 2.196 1.00 0.00 O ATOM 769 CB GLU A 44 3.473 3.295 1.283 1.00 0.00 C ATOM 770 CG GLU A 44 4.496 2.856 0.235 1.00 0.00 C ATOM 771 CD GLU A 44 4.447 1.382 -0.105 1.00 0.00 C ATOM 772 OE1 GLU A 44 3.398 0.747 0.093 1.00 0.00 O ATOM 773 OE2 GLU A 44 5.466 0.867 -0.598 1.00 0.00 O ATOM 0 H GLU A 44 5.216 3.014 2.963 1.00 0.00 H new ATOM 0 HA GLU A 44 4.421 5.183 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.237 2.450 1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.548 3.582 0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.335 3.432 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.495 3.101 0.595 1.00 0.00 H new ATOM 780 N GLY A 45 2.778 5.029 4.145 1.00 0.00 N ATOM 781 CA GLY A 45 1.745 5.672 4.903 1.00 0.00 C ATOM 782 C GLY A 45 0.662 4.678 5.217 1.00 0.00 C ATOM 783 O GLY A 45 -0.511 5.031 5.340 1.00 0.00 O ATOM 0 H GLY A 45 3.444 4.486 4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.157 6.081 5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.333 6.509 4.339 1.00 0.00 H new ATOM 787 N VAL A 46 1.056 3.404 5.256 1.00 0.00 N ATOM 788 CA VAL A 46 0.085 2.336 5.453 1.00 0.00 C ATOM 789 C VAL A 46 0.669 1.071 6.086 1.00 0.00 C ATOM 790 O VAL A 46 1.873 0.911 6.176 1.00 0.00 O ATOM 791 CB VAL A 46 -0.558 1.997 4.107 1.00 0.00 C ATOM 792 CG1 VAL A 46 -1.814 2.836 3.902 1.00 0.00 C ATOM 793 CG2 VAL A 46 0.434 2.230 2.965 1.00 0.00 C ATOM 0 H VAL A 46 2.023 3.094 5.156 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.655 2.707 6.162 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.837 0.943 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.265 2.588 2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.525 2.627 4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.551 3.894 3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.040 1.984 2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.741 3.276 2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.309 1.596 3.108 1.00 0.00 H new ATOM 803 N ASP A 47 -0.214 0.164 6.509 1.00 0.00 N ATOM 804 CA ASP A 47 0.203 -1.099 7.123 1.00 0.00 C ATOM 805 C ASP A 47 0.616 -2.142 6.079 1.00 0.00 C ATOM 806 O ASP A 47 0.620 -1.875 4.878 1.00 0.00 O ATOM 807 CB ASP A 47 -0.930 -1.671 7.969 1.00 0.00 C ATOM 808 CG ASP A 47 -1.686 -0.605 8.738 1.00 0.00 C ATOM 809 OD1 ASP A 47 -1.058 0.088 9.566 1.00 0.00 O ATOM 810 OD2 ASP A 47 -2.908 -0.463 8.513 1.00 0.00 O ATOM 0 H ASP A 47 -1.225 0.281 6.437 1.00 0.00 H new ATOM 0 HA ASP A 47 1.069 -0.878 7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.625 -2.207 7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.522 -2.398 8.671 1.00 0.00 H new ATOM 815 N LYS A 48 0.956 -3.341 6.564 1.00 0.00 N ATOM 816 CA LYS A 48 1.370 -4.455 5.711 1.00 0.00 C ATOM 817 C LYS A 48 0.208 -4.993 4.876 1.00 0.00 C ATOM 818 O LYS A 48 0.410 -5.554 3.802 1.00 0.00 O ATOM 819 CB LYS A 48 1.966 -5.581 6.558 1.00 0.00 C ATOM 820 CG LYS A 48 1.107 -5.970 7.752 1.00 0.00 C ATOM 821 CD LYS A 48 0.824 -7.464 7.775 1.00 0.00 C ATOM 822 CE LYS A 48 1.749 -8.190 8.736 1.00 0.00 C ATOM 823 NZ LYS A 48 1.223 -9.533 9.105 1.00 0.00 N ATOM 0 H LYS A 48 0.951 -3.564 7.559 1.00 0.00 H new ATOM 0 HA LYS A 48 2.128 -4.076 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.115 -6.458 5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.949 -5.274 6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.612 -5.680 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.166 -5.421 7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.212 -7.635 8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.945 -7.874 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.733 -8.298 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.879 -7.591 9.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.883 -9.996 9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.295 -9.429 9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.123 -10.114 8.248 1.00 0.00 H new ATOM 837 N GLU A 49 -1.006 -4.838 5.378 1.00 0.00 N ATOM 838 CA GLU A 49 -2.183 -5.319 4.657 1.00 0.00 C ATOM 839 C GLU A 49 -2.408 -4.481 3.398 1.00 0.00 C ATOM 840 O GLU A 49 -2.734 -4.996 2.330 1.00 0.00 O ATOM 841 CB GLU A 49 -3.422 -5.239 5.554 1.00 0.00 C ATOM 842 CG GLU A 49 -3.574 -6.406 6.516 1.00 0.00 C ATOM 843 CD GLU A 49 -2.588 -6.351 7.665 1.00 0.00 C ATOM 844 OE1 GLU A 49 -2.023 -5.266 7.913 1.00 0.00 O ATOM 845 OE2 GLU A 49 -2.385 -7.395 8.320 1.00 0.00 O ATOM 0 H GLU A 49 -1.206 -4.389 6.272 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.014 -6.357 4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.382 -4.313 6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.310 -5.185 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.589 -6.413 6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.439 -7.340 5.971 1.00 0.00 H new ATOM 852 N LEU A 50 -2.252 -3.177 3.570 1.00 0.00 N ATOM 853 CA LEU A 50 -2.440 -2.184 2.536 1.00 0.00 C ATOM 854 C LEU A 50 -1.283 -2.089 1.547 1.00 0.00 C ATOM 855 O LEU A 50 -1.168 -1.073 0.882 1.00 0.00 O ATOM 856 CB LEU A 50 -2.629 -0.805 3.207 1.00 0.00 C ATOM 857 CG LEU A 50 -2.977 -0.798 4.709 1.00 0.00 C ATOM 858 CD1 LEU A 50 -3.456 0.581 5.139 1.00 0.00 C ATOM 859 CD2 LEU A 50 -4.031 -1.843 5.053 1.00 0.00 C ATOM 0 H LEU A 50 -1.982 -2.772 4.466 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.316 -2.490 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.711 -0.233 3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.418 -0.275 2.674 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.066 -1.050 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.697 0.567 6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.670 1.313 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.345 0.852 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.247 -1.804 6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.942 -1.639 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.659 -2.834 4.794 1.00 0.00 H new ATOM 871 N VAL A 51 -0.416 -3.094 1.429 1.00 0.00 N ATOM 872 CA VAL A 51 0.693 -2.935 0.486 1.00 0.00 C ATOM 873 C VAL A 51 0.474 -3.608 -0.863 1.00 0.00 C ATOM 874 O VAL A 51 0.506 -4.832 -0.984 1.00 0.00 O ATOM 875 CB VAL A 51 1.997 -3.520 1.062 1.00 0.00 C ATOM 876 CG1 VAL A 51 3.179 -2.659 0.666 1.00 0.00 C ATOM 877 CG2 VAL A 51 1.906 -3.689 2.572 1.00 0.00 C ATOM 0 H VAL A 51 -0.450 -3.976 1.939 1.00 0.00 H new ATOM 0 HA VAL A 51 0.757 -1.858 0.333 1.00 0.00 H new ATOM 0 HB VAL A 51 2.146 -4.513 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.094 -3.084 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.255 -2.623 -0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.040 -1.650 1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.841 -4.104 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.726 -2.720 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.086 -4.365 2.814 1.00 0.00 H new ATOM 887 N ILE A 52 0.367 -2.769 -1.889 1.00 0.00 N ATOM 888 CA ILE A 52 0.278 -3.219 -3.269 1.00 0.00 C ATOM 889 C ILE A 52 1.227 -2.376 -4.129 1.00 0.00 C ATOM 890 O ILE A 52 0.901 -1.230 -4.433 1.00 0.00 O ATOM 891 CB ILE A 52 -1.176 -3.164 -3.817 1.00 0.00 C ATOM 892 CG1 ILE A 52 -1.199 -3.090 -5.343 1.00 0.00 C ATOM 893 CG2 ILE A 52 -1.938 -1.983 -3.236 1.00 0.00 C ATOM 894 CD1 ILE A 52 -0.272 -4.076 -6.025 1.00 0.00 C ATOM 0 H ILE A 52 0.340 -1.755 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 52 0.577 -4.266 -3.311 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.666 -4.087 -3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.217 -3.266 -5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.928 -2.080 -5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.951 -1.971 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.979 -2.075 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.431 -1.056 -3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.348 -3.959 -7.106 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.755 -3.887 -5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.555 -5.092 -5.749 1.00 0.00 H new ATOM 906 N VAL A 53 2.374 -2.899 -4.552 1.00 0.00 N ATOM 907 CA VAL A 53 3.263 -2.084 -5.386 1.00 0.00 C ATOM 908 C VAL A 53 3.680 -2.817 -6.663 1.00 0.00 C ATOM 909 O VAL A 53 4.385 -3.826 -6.627 1.00 0.00 O ATOM 910 CB VAL A 53 4.518 -1.561 -4.613 1.00 0.00 C ATOM 911 CG1 VAL A 53 4.272 -1.461 -3.111 1.00 0.00 C ATOM 912 CG2 VAL A 53 5.752 -2.406 -4.879 1.00 0.00 C ATOM 0 H VAL A 53 2.704 -3.842 -4.345 1.00 0.00 H new ATOM 0 HA VAL A 53 2.678 -1.210 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 53 4.702 -0.557 -4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.172 -1.093 -2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.448 -0.773 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.019 -2.446 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.596 -2.003 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.565 -3.432 -4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.981 -2.390 -5.945 1.00 0.00 H new ATOM 922 N ASP A 54 3.233 -2.276 -7.796 1.00 0.00 N ATOM 923 CA ASP A 54 3.548 -2.832 -9.110 1.00 0.00 C ATOM 924 C ASP A 54 4.400 -1.858 -9.908 1.00 0.00 C ATOM 925 O ASP A 54 4.358 -0.651 -9.673 1.00 0.00 O ATOM 926 CB ASP A 54 2.264 -3.162 -9.873 1.00 0.00 C ATOM 927 CG ASP A 54 1.927 -4.639 -9.830 1.00 0.00 C ATOM 928 OD1 ASP A 54 2.767 -5.452 -10.272 1.00 0.00 O ATOM 929 OD2 ASP A 54 0.826 -4.985 -9.354 1.00 0.00 O ATOM 0 H ASP A 54 2.645 -1.443 -7.828 1.00 0.00 H new ATOM 0 HA ASP A 54 4.114 -3.753 -8.968 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.437 -2.591 -9.450 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.371 -2.847 -10.911 1.00 0.00 H new ATOM 934 N ASN A 55 5.170 -2.383 -10.854 1.00 0.00 N ATOM 935 CA ASN A 55 6.028 -1.548 -11.683 1.00 0.00 C ATOM 936 C ASN A 55 7.040 -0.804 -10.820 1.00 0.00 C ATOM 937 O ASN A 55 6.730 -0.377 -9.708 1.00 0.00 O ATOM 938 CB ASN A 55 5.190 -0.551 -12.486 1.00 0.00 C ATOM 939 CG ASN A 55 5.747 -0.315 -13.876 1.00 0.00 C ATOM 940 OD1 ASN A 55 6.792 0.316 -14.042 1.00 0.00 O ATOM 941 ND2 ASN A 55 5.051 -0.823 -14.886 1.00 0.00 N ATOM 0 H ASN A 55 5.217 -3.380 -11.065 1.00 0.00 H new ATOM 0 HA ASN A 55 6.566 -2.193 -12.378 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.168 -0.921 -12.565 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.145 0.397 -11.950 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.377 -0.697 -15.844 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.190 -1.339 -14.704 1.00 0.00 H new ATOM 948 N ASN A 56 8.254 -0.663 -11.326 1.00 0.00 N ATOM 949 CA ASN A 56 9.305 0.019 -10.581 1.00 0.00 C ATOM 950 C ASN A 56 10.276 0.755 -11.501 1.00 0.00 C ATOM 951 O ASN A 56 11.121 0.137 -12.150 1.00 0.00 O ATOM 952 CB ASN A 56 10.072 -0.986 -9.720 1.00 0.00 C ATOM 953 CG ASN A 56 10.365 -2.280 -10.458 1.00 0.00 C ATOM 954 OD1 ASN A 56 10.715 -2.270 -11.637 1.00 0.00 O ATOM 955 ND2 ASN A 56 10.221 -3.401 -9.762 1.00 0.00 N ATOM 0 H ASN A 56 8.537 -1.008 -12.243 1.00 0.00 H new ATOM 0 HA ASN A 56 8.824 0.762 -9.945 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.010 -0.538 -9.393 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.494 -1.206 -8.823 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.403 -4.302 -10.203 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.928 -3.361 -8.786 1.00 0.00 H new ATOM 962 N LYS A 57 10.172 2.082 -11.525 1.00 0.00 N ATOM 963 CA LYS A 57 11.065 2.904 -12.333 1.00 0.00 C ATOM 964 C LYS A 57 12.411 3.015 -11.620 1.00 0.00 C ATOM 965 O LYS A 57 12.491 3.589 -10.541 1.00 0.00 O ATOM 966 CB LYS A 57 10.457 4.301 -12.534 1.00 0.00 C ATOM 967 CG LYS A 57 10.381 5.131 -11.253 1.00 0.00 C ATOM 968 CD LYS A 57 9.094 5.944 -11.171 1.00 0.00 C ATOM 969 CE LYS A 57 9.211 7.086 -10.166 1.00 0.00 C ATOM 970 NZ LYS A 57 8.499 8.308 -10.632 1.00 0.00 N ATOM 0 H LYS A 57 9.478 2.609 -10.994 1.00 0.00 H new ATOM 0 HA LYS A 57 11.204 2.445 -13.312 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.049 4.842 -13.272 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.454 4.194 -12.947 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.447 4.470 -10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.238 5.803 -11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.856 6.348 -12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.269 5.291 -10.886 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.801 6.770 -9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.263 7.319 -10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.602 9.061 -9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.907 8.625 -11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.490 8.093 -10.765 1.00 0.00 H new ATOM 984 N GLN A 58 13.466 2.453 -12.196 1.00 0.00 N ATOM 985 CA GLN A 58 14.771 2.499 -11.544 1.00 0.00 C ATOM 986 C GLN A 58 15.669 3.589 -12.121 1.00 0.00 C ATOM 987 O GLN A 58 16.216 3.444 -13.215 1.00 0.00 O ATOM 988 CB GLN A 58 15.466 1.142 -11.668 1.00 0.00 C ATOM 989 CG GLN A 58 16.568 0.927 -10.644 1.00 0.00 C ATOM 990 CD GLN A 58 17.807 0.294 -11.245 1.00 0.00 C ATOM 991 OE1 GLN A 58 17.749 -0.319 -12.309 1.00 0.00 O ATOM 992 NE2 GLN A 58 18.937 0.440 -10.562 1.00 0.00 N ATOM 0 H GLN A 58 13.448 1.969 -13.094 1.00 0.00 H new ATOM 0 HA GLN A 58 14.598 2.736 -10.494 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.723 0.352 -11.561 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.888 1.050 -12.669 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.834 1.884 -10.196 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.194 0.292 -9.841 1.00 0.00 H new ATOM 0 HE21 GLN A 58 18.938 0.957 -9.683 1.00 0.00 H new ATOM 0 HE22 GLN A 58 19.803 0.035 -10.917 1.00 0.00 H new ATOM 1063 N HIS A 63 22.355 1.270 -6.841 1.00 0.00 N ATOM 1064 CA HIS A 63 21.648 0.002 -7.013 1.00 0.00 C ATOM 1065 C HIS A 63 20.383 -0.057 -6.157 1.00 0.00 C ATOM 1066 O HIS A 63 20.201 -0.981 -5.362 1.00 0.00 O ATOM 1067 CB HIS A 63 22.569 -1.178 -6.671 1.00 0.00 C ATOM 1068 CG HIS A 63 23.089 -1.898 -7.877 1.00 0.00 C ATOM 1069 ND1 HIS A 63 24.285 -2.586 -7.886 1.00 0.00 N ATOM 1070 CD2 HIS A 63 22.573 -2.032 -9.122 1.00 0.00 C ATOM 1071 CE1 HIS A 63 24.480 -3.112 -9.082 1.00 0.00 C ATOM 1072 NE2 HIS A 63 23.456 -2.789 -9.849 1.00 0.00 N ATOM 0 HA HIS A 63 21.351 -0.068 -8.059 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.412 -0.813 -6.084 1.00 0.00 H new ATOM 0 HB3 HIS A 63 22.025 -1.883 -6.043 1.00 0.00 H new ATOM 0 HD2 HIS A 63 21.640 -1.620 -9.476 1.00 0.00 H new ATOM 0 HE1 HIS A 63 25.332 -3.705 -9.381 1.00 0.00 H new ATOM 0 HE2 HIS A 63 23.340 -3.059 -10.826 1.00 0.00 H new ATOM 1081 N GLU A 64 19.505 0.929 -6.318 1.00 0.00 N ATOM 1082 CA GLU A 64 18.279 0.993 -5.585 1.00 0.00 C ATOM 1083 C GLU A 64 17.159 1.157 -6.590 1.00 10.00 C ATOM 1084 O GLU A 64 17.405 1.583 -7.720 1.00 10.00 O ATOM 1085 CB GLU A 64 18.365 2.123 -4.572 1.00 0.00 C ATOM 1086 CG GLU A 64 19.651 2.038 -3.758 1.00 0.00 C ATOM 1087 CD GLU A 64 20.052 3.364 -3.143 1.00 0.00 C ATOM 1088 OE1 GLU A 64 19.498 4.404 -3.560 1.00 0.00 O ATOM 1089 OE2 GLU A 64 20.918 3.366 -2.244 1.00 0.00 O ATOM 0 H GLU A 64 19.640 1.703 -6.969 1.00 0.00 H new ATOM 0 HA GLU A 64 18.083 0.087 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.321 3.082 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.505 2.082 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 64 19.525 1.300 -2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.458 1.683 -4.399 1.00 0.00 H new ATOM 1096 N ILE A 65 15.960 0.750 -6.238 1.00 10.00 N ATOM 1097 CA ILE A 65 14.870 0.792 -7.193 1.00 0.00 C ATOM 1098 C ILE A 65 13.802 1.788 -6.797 1.00 0.00 C ATOM 1099 O ILE A 65 13.429 1.902 -5.634 1.00 0.00 O ATOM 1100 CB ILE A 65 14.234 -0.608 -7.324 1.00 0.00 C ATOM 1101 CG1 ILE A 65 13.551 -0.769 -8.680 1.00 0.00 C ATOM 1102 CG2 ILE A 65 13.249 -0.863 -6.194 1.00 0.00 C ATOM 1103 CD1 ILE A 65 12.870 -2.110 -8.845 1.00 0.00 C ATOM 0 H ILE A 65 15.715 0.392 -5.315 1.00 10.00 H new ATOM 0 HA ILE A 65 15.288 1.110 -8.148 1.00 0.00 H new ATOM 0 HB ILE A 65 15.031 -1.348 -7.254 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.814 0.024 -8.806 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.291 -0.644 -9.470 1.00 0.00 H new ATOM 0 HG21 ILE A 65 12.814 -1.856 -6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 65 13.769 -0.802 -5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 65 12.458 -0.114 -6.225 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.404 -2.163 -9.829 1.00 0.00 H new ATOM 0 HD12 ILE A 65 13.608 -2.907 -8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.107 -2.228 -8.075 1.00 0.00 H new ATOM 1115 N GLU A 66 13.330 2.510 -7.804 1.00 0.00 N ATOM 1116 CA GLU A 66 12.311 3.522 -7.624 1.00 0.00 C ATOM 1117 C GLU A 66 11.067 3.146 -8.399 1.00 0.00 C ATOM 1118 O GLU A 66 11.104 2.288 -9.278 1.00 0.00 O ATOM 1119 CB GLU A 66 12.834 4.886 -8.104 1.00 0.00 C ATOM 1120 CG GLU A 66 11.838 6.021 -7.931 1.00 0.00 C ATOM 1121 CD GLU A 66 12.503 7.344 -7.608 1.00 0.00 C ATOM 1122 OE1 GLU A 66 13.347 7.377 -6.691 1.00 0.00 O ATOM 1123 OE2 GLU A 66 12.174 8.350 -8.272 1.00 0.00 O ATOM 0 H GLU A 66 13.647 2.407 -8.768 1.00 0.00 H new ATOM 0 HA GLU A 66 12.063 3.590 -6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.745 5.128 -7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.105 4.810 -9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.253 6.127 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.140 5.767 -7.134 1.00 0.00 H new ATOM 1130 N GLY A 67 9.967 3.784 -8.064 1.00 0.00 N ATOM 1131 CA GLY A 67 8.723 3.507 -8.737 1.00 0.00 C ATOM 1132 C GLY A 67 7.566 4.126 -8.013 1.00 0.00 C ATOM 1133 O GLY A 67 7.750 5.036 -7.202 1.00 0.00 O ATOM 0 H GLY A 67 9.911 4.494 -7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.765 3.890 -9.756 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.577 2.429 -8.808 1.00 0.00 H new ATOM 1137 N TYR A 68 6.376 3.625 -8.271 1.00 0.00 N ATOM 1138 CA TYR A 68 5.205 4.135 -7.596 1.00 0.00 C ATOM 1139 C TYR A 68 4.496 2.989 -6.908 1.00 0.00 C ATOM 1140 O TYR A 68 4.289 1.927 -7.494 1.00 0.00 O ATOM 1141 CB TYR A 68 4.267 4.818 -8.590 1.00 0.00 C ATOM 1142 CG TYR A 68 3.731 3.888 -9.656 1.00 0.00 C ATOM 1143 CD1 TYR A 68 2.560 3.170 -9.454 1.00 0.00 C ATOM 1144 CD2 TYR A 68 4.400 3.727 -10.864 1.00 0.00 C ATOM 1145 CE1 TYR A 68 2.068 2.318 -10.424 1.00 0.00 C ATOM 1146 CE2 TYR A 68 3.915 2.877 -11.839 1.00 0.00 C ATOM 1147 CZ TYR A 68 2.750 2.174 -11.615 1.00 0.00 C ATOM 1148 OH TYR A 68 2.263 1.328 -12.583 1.00 0.00 O ATOM 0 H TYR A 68 6.196 2.873 -8.936 1.00 0.00 H new ATOM 0 HA TYR A 68 5.509 4.875 -6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.429 5.254 -8.045 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.797 5.640 -9.070 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.024 3.279 -8.523 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.313 4.275 -11.043 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.155 1.768 -10.251 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.446 2.764 -12.773 1.00 0.00 H new ATOM 0 HH TYR A 68 2.860 1.342 -13.360 1.00 0.00 H new ATOM 1158 N THR A 69 4.135 3.209 -5.661 1.00 0.00 N ATOM 1159 CA THR A 69 3.459 2.188 -4.888 1.00 0.00 C ATOM 1160 C THR A 69 1.979 2.496 -4.709 1.00 0.00 C ATOM 1161 O THR A 69 1.570 3.652 -4.616 1.00 0.00 O ATOM 1162 CB THR A 69 4.121 1.983 -3.524 1.00 0.00 C ATOM 1163 OG1 THR A 69 5.367 1.324 -3.664 1.00 0.00 O ATOM 1164 CG2 THR A 69 3.266 1.153 -2.598 1.00 0.00 C ATOM 0 H THR A 69 4.298 4.084 -5.162 1.00 0.00 H new ATOM 0 HA THR A 69 3.546 1.262 -5.457 1.00 0.00 H new ATOM 0 HB THR A 69 4.256 2.978 -3.099 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.035 1.955 -4.005 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.775 1.033 -1.642 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.310 1.653 -2.440 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.094 0.173 -3.043 1.00 0.00 H new ATOM 1172 N LYS A 70 1.193 1.432 -4.664 1.00 0.00 N ATOM 1173 CA LYS A 70 -0.250 1.507 -4.485 1.00 0.00 C ATOM 1174 C LYS A 70 -0.622 0.844 -3.159 1.00 0.00 C ATOM 1175 O LYS A 70 -0.008 -0.150 -2.778 1.00 0.00 O ATOM 1176 CB LYS A 70 -0.905 0.772 -5.639 1.00 0.00 C ATOM 1177 CG LYS A 70 -2.133 1.468 -6.203 1.00 0.00 C ATOM 1178 CD LYS A 70 -3.098 0.473 -6.825 1.00 0.00 C ATOM 1179 CE LYS A 70 -4.352 1.160 -7.342 1.00 0.00 C ATOM 1180 NZ LYS A 70 -5.574 0.346 -7.091 1.00 0.00 N ATOM 0 H LYS A 70 1.544 0.478 -4.752 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.588 2.543 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.174 0.646 -6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.188 -0.226 -5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.638 2.019 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.827 2.198 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.605 -0.050 -7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.373 -0.279 -6.086 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.458 2.132 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.251 1.343 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.407 0.849 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.484 -0.572 -7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.685 0.193 -6.068 1.00 0.00 H new ATOM 1194 N ILE A 71 -1.595 1.383 -2.428 1.00 0.00 N ATOM 1195 CA ILE A 71 -1.946 0.766 -1.141 1.00 0.00 C ATOM 1196 C ILE A 71 -3.437 0.623 -0.902 1.00 0.00 C ATOM 1197 O ILE A 71 -4.232 1.529 -1.219 1.00 0.00 O ATOM 1198 CB ILE A 71 -1.291 1.500 0.051 1.00 0.00 C ATOM 1199 CG1 ILE A 71 0.111 0.938 0.281 1.00 0.00 C ATOM 1200 CG2 ILE A 71 -2.128 1.398 1.316 1.00 0.00 C ATOM 1201 CD1 ILE A 71 1.186 1.983 0.272 1.00 0.00 C ATOM 0 H ILE A 71 -2.136 2.209 -2.684 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.542 -0.244 -1.208 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.225 2.560 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.132 0.416 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.328 0.199 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.628 1.928 2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.108 1.843 1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.249 0.350 1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.154 1.511 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.193 2.489 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.994 2.710 1.061 1.00 0.00 H new ATOM 1213 N TYR A 72 -3.779 -0.518 -0.268 1.00 0.00 N ATOM 1214 CA TYR A 72 -5.170 -0.809 0.106 1.00 0.00 C ATOM 1215 C TYR A 72 -5.343 -0.906 1.630 1.00 0.00 C ATOM 1216 O TYR A 72 -4.828 -1.826 2.303 1.00 0.00 O ATOM 1217 CB TYR A 72 -5.707 -2.074 -0.577 1.00 0.00 C ATOM 1218 CG TYR A 72 -4.857 -3.319 -0.417 1.00 0.00 C ATOM 1219 CD1 TYR A 72 -3.547 -3.356 -0.864 1.00 0.00 C ATOM 1220 CD2 TYR A 72 -5.385 -4.470 0.157 1.00 0.00 C ATOM 1221 CE1 TYR A 72 -2.781 -4.500 -0.745 1.00 0.00 C ATOM 1222 CE2 TYR A 72 -4.625 -5.617 0.285 1.00 0.00 C ATOM 1223 CZ TYR A 72 -3.324 -5.627 -0.170 1.00 0.00 C ATOM 1224 OH TYR A 72 -2.565 -6.768 -0.047 1.00 0.00 O ATOM 0 H TYR A 72 -3.113 -1.245 -0.008 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.762 0.034 -0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.702 -2.283 -0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.822 -1.869 -1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.116 -2.474 -1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.406 -4.468 0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -1.762 -4.510 -1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.048 -6.501 0.739 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.098 -7.471 0.381 1.00 0.00 H new ATOM 1234 N ALA A 73 -6.064 0.075 2.167 1.00 0.00 N ATOM 1235 CA ALA A 73 -6.326 0.162 3.596 1.00 0.00 C ATOM 1236 C ALA A 73 -7.608 -0.569 4.000 1.00 0.00 C ATOM 1237 O ALA A 73 -7.863 -0.771 5.187 1.00 0.00 O ATOM 1238 CB ALA A 73 -6.399 1.620 4.017 1.00 0.00 C ATOM 0 H ALA A 73 -6.481 0.830 1.622 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.501 -0.331 4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.595 1.680 5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.452 2.111 3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.202 2.116 3.472 1.00 0.00 H new ATOM 1244 N ASP A 74 -8.424 -0.938 3.017 1.00 0.00 N ATOM 1245 CA ASP A 74 -9.687 -1.617 3.290 1.00 0.00 C ATOM 1246 C ASP A 74 -9.487 -3.083 3.670 1.00 0.00 C ATOM 1247 O ASP A 74 -10.422 -3.740 4.128 1.00 0.00 O ATOM 1248 CB ASP A 74 -10.608 -1.519 2.072 1.00 0.00 C ATOM 1249 CG ASP A 74 -9.924 -1.968 0.795 1.00 0.00 C ATOM 1250 OD1 ASP A 74 -8.990 -1.273 0.346 1.00 0.00 O ATOM 1251 OD2 ASP A 74 -10.326 -3.016 0.244 1.00 0.00 O ATOM 0 H ASP A 74 -8.234 -0.779 2.027 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.145 -1.117 4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.495 -2.129 2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.947 -0.489 1.957 1.00 0.00 H new