USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=14 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 20 LYS NZ :NH3+ -138:sc= 0.888 (180deg=0.21) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= -0.397 USER MOD Single : A 1 MET CE :methyl 148:sc= -0.398 (180deg=-1.73!) USER MOD Single : A 1 MET N :NH3+ 170:sc= -1.19 (180deg=-1.37!) 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= -1.57 K(o=-1.6,f=-0.075) USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0278) USER MOD Single : A 17 LYS NZ :NH3+ -124:sc= -20.2! (180deg=-26.3!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.444) USER MOD Single : A 43 HIS : no HE2:sc= -4.71 K(o=-4.7,f=-5.8) USER MOD Single : A 48 LYS NZ :NH3+ 148:sc= 0.742 (180deg=-0.139) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 56 ASN : amide:sc= -0.163 X(o=-0.16,f=0.18) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= -1.29 (180deg=-1.62) USER MOD Single : A 58 GLN : amide:sc= -0.586 K(o=-0.59,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 69 THR OG1 : rot 21:sc= -2.96! USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0391) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.795 -3.512 2.600 1.00 0.00 N ATOM 2 CA MET A 1 17.032 -2.629 1.722 1.00 0.00 C ATOM 3 C MET A 1 16.648 -1.338 2.468 1.00 0.00 C ATOM 4 O MET A 1 16.614 -1.332 3.698 1.00 0.00 O ATOM 5 CB MET A 1 15.786 -3.361 1.219 1.00 0.00 C ATOM 6 CG MET A 1 14.945 -3.964 2.322 1.00 0.00 C ATOM 7 SD MET A 1 14.352 -5.613 1.908 1.00 0.00 S ATOM 8 CE MET A 1 15.897 -6.446 1.553 1.00 0.00 C ATOM 0 H1 MET A 1 17.902 -4.443 2.148 1.00 0.00 H new ATOM 0 H2 MET A 1 18.734 -3.101 2.774 1.00 0.00 H new ATOM 0 H3 MET A 1 17.292 -3.622 3.504 1.00 0.00 H new ATOM 0 HA MET A 1 17.645 -2.352 0.864 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.173 -2.664 0.647 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.092 -4.152 0.535 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.533 -4.012 3.239 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.093 -3.314 2.523 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.817 -7.496 1.833 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.115 -6.370 0.488 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.701 -5.979 2.122 1.00 0.00 H new ATOM 18 N ASP A 2 16.373 -0.238 1.743 1.00 0.00 N ATOM 19 CA ASP A 2 16.018 1.019 2.408 1.00 0.00 C ATOM 20 C ASP A 2 14.838 1.638 1.716 1.00 0.00 C ATOM 21 O ASP A 2 14.723 1.550 0.515 1.00 0.00 O ATOM 22 CB ASP A 2 17.196 1.991 2.401 1.00 0.00 C ATOM 23 CG ASP A 2 18.311 1.558 3.334 1.00 0.00 C ATOM 24 OD1 ASP A 2 18.022 0.835 4.309 1.00 0.00 O ATOM 25 OD2 ASP A 2 19.473 1.949 3.089 1.00 0.00 O ATOM 0 H ASP A 2 16.390 -0.197 0.724 1.00 0.00 H new ATOM 0 HA ASP A 2 15.761 0.803 3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 2 17.587 2.076 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.847 2.982 2.692 1.00 0.00 H new ATOM 30 N LEU A 3 13.935 2.247 2.434 1.00 0.00 N ATOM 31 CA LEU A 3 12.797 2.818 1.752 1.00 0.00 C ATOM 32 C LEU A 3 12.702 4.328 1.872 1.00 0.00 C ATOM 33 O LEU A 3 12.359 4.851 2.932 1.00 0.00 O ATOM 34 CB LEU A 3 11.532 2.165 2.287 1.00 0.00 C ATOM 35 CG LEU A 3 10.315 2.108 1.358 1.00 0.00 C ATOM 36 CD1 LEU A 3 9.415 3.309 1.582 1.00 0.00 C ATOM 37 CD2 LEU A 3 10.719 1.997 -0.105 1.00 0.00 C ATOM 0 H LEU A 3 13.955 2.361 3.447 1.00 0.00 H new ATOM 0 HA LEU A 3 12.922 2.617 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.779 1.145 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.238 2.695 3.193 1.00 0.00 H new ATOM 0 HG LEU A 3 9.757 1.205 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.556 3.250 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.070 3.317 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.972 4.224 1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.825 1.959 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.319 2.863 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.303 1.089 -0.253 1.00 0.00 H new ATOM 49 N ILE A 4 12.891 5.023 0.754 1.00 0.00 N ATOM 50 CA ILE A 4 12.689 6.471 0.760 1.00 0.00 C ATOM 51 C ILE A 4 11.383 6.718 0.045 1.00 0.00 C ATOM 52 O ILE A 4 11.217 6.383 -1.129 1.00 0.00 O ATOM 53 CB ILE A 4 13.812 7.281 0.100 1.00 0.00 C ATOM 54 CG1 ILE A 4 14.188 6.689 -1.263 1.00 0.00 C ATOM 55 CG2 ILE A 4 15.013 7.354 1.037 1.00 0.00 C ATOM 56 CD1 ILE A 4 15.641 6.878 -1.650 1.00 0.00 C ATOM 0 H ILE A 4 13.175 4.625 -0.141 1.00 0.00 H new ATOM 0 HA ILE A 4 12.683 6.812 1.795 1.00 0.00 H new ATOM 0 HB ILE A 4 13.460 8.296 -0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 4 13.962 5.623 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 4 13.559 7.143 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 4 15.809 7.930 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 4 14.719 7.838 1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 4 15.371 6.347 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 4 15.819 6.429 -2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 4 15.871 7.943 -1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 4 16.280 6.398 -0.909 1.00 0.00 H new ATOM 68 N ILE A 5 10.427 7.189 0.806 1.00 0.00 N ATOM 69 CA ILE A 5 9.077 7.361 0.326 1.00 0.00 C ATOM 70 C ILE A 5 8.595 8.815 0.093 1.00 0.00 C ATOM 71 O ILE A 5 8.876 9.720 0.880 1.00 0.00 O ATOM 72 CB ILE A 5 8.164 6.631 1.307 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.779 6.449 0.721 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.143 7.359 2.635 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.658 5.216 -0.145 1.00 0.00 C ATOM 0 H ILE A 5 10.563 7.465 1.779 1.00 0.00 H new ATOM 0 HA ILE A 5 9.045 6.945 -0.681 1.00 0.00 H new ATOM 0 HB ILE A 5 8.557 5.631 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.053 6.389 1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.523 7.328 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.489 6.831 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.152 7.397 3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.773 8.374 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.642 5.143 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.361 5.284 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.883 4.330 0.449 1.00 0.00 H new ATOM 87 N LYS A 6 7.807 8.984 -0.977 1.00 0.00 N ATOM 88 CA LYS A 6 7.175 10.257 -1.353 1.00 0.00 C ATOM 89 C LYS A 6 5.682 9.973 -1.593 1.00 0.00 C ATOM 90 O LYS A 6 5.234 9.809 -2.728 1.00 0.00 O ATOM 91 CB LYS A 6 7.821 10.840 -2.612 1.00 0.00 C ATOM 92 CG LYS A 6 7.864 12.359 -2.626 1.00 0.00 C ATOM 93 CD LYS A 6 8.370 12.891 -3.956 1.00 0.00 C ATOM 94 CE LYS A 6 8.456 14.409 -3.953 1.00 0.00 C ATOM 95 NZ LYS A 6 9.492 14.908 -4.899 1.00 0.00 N ATOM 0 H LYS A 6 7.586 8.223 -1.620 1.00 0.00 H new ATOM 0 HA LYS A 6 7.305 10.992 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.837 10.455 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.271 10.492 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.867 12.754 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.510 12.713 -1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.353 12.470 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.705 12.565 -4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.486 14.828 -4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.686 14.758 -2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.519 15.947 -4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.422 14.529 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.260 14.597 -5.864 1.00 0.00 H new ATOM 109 N GLU A 7 4.960 9.823 -0.487 1.00 0.00 N ATOM 110 CA GLU A 7 3.538 9.441 -0.468 1.00 0.00 C ATOM 111 C GLU A 7 2.522 10.495 -0.907 1.00 0.00 C ATOM 112 O GLU A 7 2.631 11.680 -0.588 1.00 0.00 O ATOM 113 CB GLU A 7 3.254 8.921 0.916 1.00 0.00 C ATOM 114 CG GLU A 7 4.316 7.902 1.304 1.00 0.00 C ATOM 115 CD GLU A 7 5.193 8.453 2.407 1.00 0.00 C ATOM 116 OE1 GLU A 7 4.775 8.411 3.581 1.00 0.00 O ATOM 117 OE2 GLU A 7 6.279 8.978 2.088 1.00 0.00 O ATOM 0 H GLU A 7 5.349 9.965 0.445 1.00 0.00 H new ATOM 0 HA GLU A 7 3.398 8.686 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.246 9.744 1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.266 8.462 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.840 6.979 1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.926 7.653 0.435 1.00 0.00 H new ATOM 124 N LYS A 8 1.500 9.997 -1.626 1.00 0.00 N ATOM 125 CA LYS A 8 0.385 10.784 -2.129 1.00 0.00 C ATOM 126 C LYS A 8 -0.880 10.025 -1.738 1.00 0.00 C ATOM 127 O LYS A 8 -0.859 8.801 -1.744 1.00 0.00 O ATOM 128 CB LYS A 8 0.471 10.963 -3.648 1.00 0.00 C ATOM 129 CG LYS A 8 0.751 12.395 -4.078 1.00 0.00 C ATOM 130 CD LYS A 8 1.692 12.445 -5.273 1.00 0.00 C ATOM 131 CE LYS A 8 1.115 13.282 -6.405 1.00 0.00 C ATOM 132 NZ LYS A 8 2.085 13.455 -7.520 1.00 0.00 N ATOM 0 H LYS A 8 1.435 9.010 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 8 0.392 11.788 -1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.256 10.315 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.466 10.634 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.187 12.890 -4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.188 12.947 -3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.651 12.861 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.883 11.433 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.210 12.807 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.825 14.260 -6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.652 14.031 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.939 13.932 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.342 12.523 -7.904 1.00 0.00 H new ATOM 146 N ARG A 9 -1.947 10.693 -1.312 1.00 0.00 N ATOM 147 CA ARG A 9 -3.112 9.937 -0.847 1.00 0.00 C ATOM 148 C ARG A 9 -4.447 10.243 -1.525 1.00 0.00 C ATOM 149 O ARG A 9 -4.774 11.383 -1.855 1.00 0.00 O ATOM 150 CB ARG A 9 -3.270 10.127 0.662 1.00 0.00 C ATOM 151 CG ARG A 9 -3.282 11.584 1.096 1.00 0.00 C ATOM 152 CD ARG A 9 -3.214 11.716 2.609 1.00 0.00 C ATOM 153 NE ARG A 9 -4.316 11.021 3.270 1.00 0.00 N ATOM 154 CZ ARG A 9 -4.677 11.238 4.533 1.00 0.00 C ATOM 155 NH1 ARG A 9 -4.028 12.128 5.272 1.00 0.00 N ATOM 156 NH2 ARG A 9 -5.690 10.561 5.057 1.00 0.00 N ATOM 0 H ARG A 9 -2.034 11.709 -1.277 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.890 8.906 -1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.198 9.653 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.456 9.612 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.437 12.106 0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.187 12.067 0.728 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.266 11.313 2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.235 12.771 2.882 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.839 10.329 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.248 12.650 4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.309 12.290 6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.191 9.875 4.493 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.968 10.726 6.024 1.00 0.00 H new ATOM 170 N ASP A 10 -5.241 9.170 -1.620 1.00 0.00 N ATOM 171 CA ASP A 10 -6.604 9.194 -2.129 1.00 0.00 C ATOM 172 C ASP A 10 -7.487 9.112 -0.893 1.00 0.00 C ATOM 173 O ASP A 10 -7.254 8.282 -0.002 1.00 0.00 O ATOM 174 CB ASP A 10 -6.874 8.026 -3.085 1.00 0.00 C ATOM 175 CG ASP A 10 -7.580 8.468 -4.352 1.00 0.00 C ATOM 176 OD1 ASP A 10 -6.895 8.957 -5.274 1.00 0.00 O ATOM 177 OD2 ASP A 10 -8.819 8.326 -4.420 1.00 0.00 O ATOM 0 H ASP A 10 -4.938 8.239 -1.335 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.799 10.094 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.930 7.548 -3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.481 7.277 -2.577 1.00 0.00 H new ATOM 182 N ASN A 11 -8.424 10.024 -0.778 1.00 0.00 N ATOM 183 CA ASN A 11 -9.198 10.119 0.444 1.00 0.00 C ATOM 184 C ASN A 11 -10.245 9.027 0.677 1.00 0.00 C ATOM 185 O ASN A 11 -10.603 8.251 -0.209 1.00 0.00 O ATOM 186 CB ASN A 11 -9.880 11.480 0.500 1.00 0.00 C ATOM 187 CG ASN A 11 -8.969 12.580 1.012 1.00 0.00 C ATOM 188 OD1 ASN A 11 -8.868 13.646 0.406 1.00 0.00 O ATOM 189 ND2 ASN A 11 -8.298 12.331 2.133 1.00 0.00 N ATOM 0 H ASN A 11 -8.668 10.701 -1.500 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.469 9.979 1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.234 11.744 -0.497 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.758 11.414 1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.672 13.037 2.520 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.410 11.434 2.606 1.00 0.00 H new ATOM 196 N PRO A 12 -10.677 8.965 1.963 1.00 0.00 N ATOM 197 CA PRO A 12 -11.627 7.998 2.529 1.00 0.00 C ATOM 198 C PRO A 12 -12.782 7.479 1.669 1.00 0.00 C ATOM 199 O PRO A 12 -13.498 6.602 2.154 1.00 0.00 O ATOM 200 CB PRO A 12 -12.192 8.768 3.713 1.00 0.00 C ATOM 201 CG PRO A 12 -11.024 9.515 4.240 1.00 0.00 C ATOM 202 CD PRO A 12 -10.179 9.861 3.041 1.00 0.00 C ATOM 0 HA PRO A 12 -11.088 7.070 2.719 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.992 9.442 3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.610 8.097 4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.341 10.415 4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.463 8.910 4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.289 10.910 2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.121 9.693 3.240 1.00 0.00 H new ATOM 210 N ILE A 13 -13.016 7.943 0.430 1.00 0.00 N ATOM 211 CA ILE A 13 -14.145 7.349 -0.291 1.00 0.00 C ATOM 212 C ILE A 13 -13.910 5.843 -0.294 1.00 0.00 C ATOM 213 O ILE A 13 -14.742 5.062 0.168 1.00 0.00 O ATOM 214 CB ILE A 13 -14.257 7.876 -1.740 1.00 0.00 C ATOM 215 CG1 ILE A 13 -13.198 7.228 -2.636 1.00 0.00 C ATOM 216 CG2 ILE A 13 -14.121 9.392 -1.760 1.00 0.00 C ATOM 217 CD1 ILE A 13 -13.179 7.766 -4.052 1.00 0.00 C ATOM 0 H ILE A 13 -12.487 8.666 -0.058 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.081 7.615 0.200 1.00 0.00 H new ATOM 0 HB ILE A 13 -15.239 7.609 -2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.216 7.378 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -13.373 6.153 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -14.202 9.751 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -14.913 9.836 -1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.151 9.676 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -12.403 7.258 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.148 7.592 -4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -12.973 8.836 -4.032 1.00 0.00 H new ATOM 229 N LEU A 14 -12.682 5.479 -0.653 1.00 0.00 N ATOM 230 CA LEU A 14 -12.208 4.116 -0.536 1.00 0.00 C ATOM 231 C LEU A 14 -11.098 4.084 0.503 1.00 0.00 C ATOM 232 O LEU A 14 -10.589 3.018 0.828 1.00 0.00 O ATOM 233 CB LEU A 14 -11.772 3.462 -1.852 1.00 0.00 C ATOM 234 CG LEU A 14 -10.573 4.065 -2.592 1.00 0.00 C ATOM 235 CD1 LEU A 14 -9.791 5.020 -1.710 1.00 0.00 C ATOM 236 CD2 LEU A 14 -9.676 2.936 -3.073 1.00 0.00 C ATOM 0 H LEU A 14 -11.992 6.127 -1.033 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.055 3.507 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.546 2.416 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.625 3.476 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.940 4.641 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.949 5.426 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.441 5.834 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.420 4.486 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.819 3.353 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.329 2.357 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.237 2.287 -3.746 1.00 0.00 H new ATOM 248 N LYS A 15 -10.700 5.285 0.991 1.00 0.00 N ATOM 249 CA LYS A 15 -9.640 5.402 1.985 1.00 0.00 C ATOM 250 C LYS A 15 -8.351 4.773 1.492 1.00 0.00 C ATOM 251 O LYS A 15 -7.814 3.891 2.145 1.00 0.00 O ATOM 252 CB LYS A 15 -10.108 4.819 3.314 1.00 0.00 C ATOM 253 CG LYS A 15 -10.358 3.321 3.324 1.00 0.00 C ATOM 254 CD LYS A 15 -11.824 3.019 3.027 1.00 0.00 C ATOM 255 CE LYS A 15 -12.554 2.512 4.260 1.00 0.00 C ATOM 256 NZ LYS A 15 -12.115 1.141 4.641 1.00 0.00 N ATOM 0 H LYS A 15 -11.105 6.176 0.704 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.419 6.457 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.361 5.049 4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.028 5.324 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.724 2.836 2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.086 2.908 4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.314 3.920 2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.889 2.274 2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.378 3.194 5.092 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.628 2.510 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.758 0.759 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.131 0.526 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.149 1.180 5.024 1.00 0.00 H new ATOM 270 N ARG A 16 -7.877 5.198 0.311 1.00 0.00 N ATOM 271 CA ARG A 16 -6.666 4.601 -0.265 1.00 0.00 C ATOM 272 C ARG A 16 -5.691 5.621 -0.760 1.00 0.00 C ATOM 273 O ARG A 16 -6.040 6.773 -0.953 1.00 0.00 O ATOM 274 CB ARG A 16 -7.019 3.613 -1.370 1.00 0.00 C ATOM 275 CG ARG A 16 -7.761 2.387 -0.860 1.00 0.00 C ATOM 276 CD ARG A 16 -7.142 1.856 0.423 1.00 0.00 C ATOM 277 NE ARG A 16 -5.717 2.206 0.521 1.00 0.00 N ATOM 278 CZ ARG A 16 -5.121 2.749 1.593 1.00 0.00 C ATOM 279 NH1 ARG A 16 -5.811 3.010 2.685 1.00 0.00 N ATOM 280 NH2 ARG A 16 -3.834 3.065 1.553 1.00 0.00 N ATOM 0 H ARG A 16 -8.303 5.935 -0.251 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.172 4.064 0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.632 4.117 -2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.104 3.295 -1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.806 2.640 -0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.746 1.608 -1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.677 2.262 1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.255 0.773 0.461 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.133 2.020 -0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.808 2.799 2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.348 3.423 3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.293 2.895 0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.385 3.478 2.370 1.00 0.00 H new ATOM 294 N LYS A 17 -4.435 5.211 -0.888 1.00 0.00 N ATOM 295 CA LYS A 17 -3.410 6.176 -1.275 1.00 0.00 C ATOM 296 C LYS A 17 -2.400 5.662 -2.317 1.00 0.00 C ATOM 297 O LYS A 17 -2.268 4.453 -2.532 1.00 0.00 O ATOM 298 CB LYS A 17 -2.787 6.714 0.019 1.00 0.00 C ATOM 299 CG LYS A 17 -1.275 6.735 0.057 1.00 0.00 C ATOM 300 CD LYS A 17 -0.717 5.454 0.639 1.00 0.00 C ATOM 301 CE LYS A 17 -0.756 4.307 -0.355 1.00 0.00 C ATOM 302 NZ LYS A 17 -0.079 4.616 -1.633 1.00 0.00 N ATOM 0 H LYS A 17 -4.108 4.257 -0.737 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.869 6.997 -1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.151 7.729 0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.145 6.109 0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.887 6.877 -0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.937 7.584 0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.312 5.620 0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.287 5.182 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.288 3.431 0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.795 4.045 -0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.743 4.473 -2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.242 5.605 -1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.741 3.987 -1.753 1.00 0.00 H new ATOM 316 N GLU A 18 -1.675 6.611 -2.949 1.00 0.00 N ATOM 317 CA GLU A 18 -0.637 6.306 -3.942 1.00 0.00 C ATOM 318 C GLU A 18 0.636 7.056 -3.558 1.00 0.00 C ATOM 319 O GLU A 18 0.631 8.272 -3.417 1.00 0.00 O ATOM 320 CB GLU A 18 -1.066 6.707 -5.342 1.00 0.00 C ATOM 321 CG GLU A 18 -0.603 5.742 -6.419 1.00 0.00 C ATOM 322 CD GLU A 18 -1.682 5.449 -7.444 1.00 0.00 C ATOM 323 OE1 GLU A 18 -2.873 5.454 -7.070 1.00 0.00 O ATOM 324 OE2 GLU A 18 -1.335 5.216 -8.621 1.00 0.00 O ATOM 0 H GLU A 18 -1.798 7.609 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.463 5.230 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.153 6.779 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.674 7.700 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.269 6.158 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.286 4.809 -5.953 1.00 0.00 H new ATOM 331 N ILE A 19 1.697 6.310 -3.329 1.00 0.00 N ATOM 332 CA ILE A 19 2.970 6.871 -2.872 1.00 0.00 C ATOM 333 C ILE A 19 4.159 6.426 -3.714 1.00 0.00 C ATOM 334 O ILE A 19 4.154 5.359 -4.312 1.00 0.00 O ATOM 335 CB ILE A 19 3.256 6.531 -1.401 1.00 0.00 C ATOM 336 CG1 ILE A 19 3.812 5.143 -1.289 1.00 0.00 C ATOM 337 CG2 ILE A 19 1.992 6.636 -0.568 1.00 0.00 C ATOM 338 CD1 ILE A 19 2.942 4.150 -1.981 1.00 0.00 C ATOM 0 H ILE A 19 1.710 5.297 -3.452 1.00 0.00 H new ATOM 0 HA ILE A 19 2.853 7.949 -2.983 1.00 0.00 H new ATOM 0 HB ILE A 19 3.987 7.247 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.813 5.115 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.910 4.873 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.219 6.391 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.603 7.653 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.245 5.940 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.375 3.155 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.949 4.161 -1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.866 4.407 -3.038 1.00 0.00 H new ATOM 350 N LYS A 20 5.166 7.274 -3.756 1.00 0.00 N ATOM 351 CA LYS A 20 6.378 6.994 -4.526 1.00 0.00 C ATOM 352 C LYS A 20 7.421 6.407 -3.619 1.00 0.00 C ATOM 353 O LYS A 20 7.569 6.822 -2.480 1.00 0.00 O ATOM 354 CB LYS A 20 6.913 8.276 -5.110 1.00 0.00 C ATOM 355 CG LYS A 20 5.807 9.218 -5.459 1.00 0.00 C ATOM 356 CD LYS A 20 5.390 8.995 -6.895 1.00 0.00 C ATOM 357 CE LYS A 20 4.691 10.213 -7.481 1.00 0.00 C ATOM 358 NZ LYS A 20 5.166 10.518 -8.859 1.00 0.00 N ATOM 0 H LYS A 20 5.176 8.169 -3.266 1.00 0.00 H new ATOM 0 HA LYS A 20 6.140 6.293 -5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.586 8.751 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.500 8.055 -6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.958 9.061 -4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.135 10.248 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.268 8.758 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.724 8.134 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.615 10.040 -7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.865 11.076 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.290 11.545 -8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.074 10.040 -9.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.465 10.182 -9.550 1.00 0.00 H new ATOM 372 N TYR A 21 8.092 5.381 -4.090 1.00 0.00 N ATOM 373 CA TYR A 21 9.061 4.715 -3.224 1.00 0.00 C ATOM 374 C TYR A 21 10.372 4.280 -3.897 1.00 0.00 C ATOM 375 O TYR A 21 10.400 3.900 -5.069 1.00 0.00 O ATOM 376 CB TYR A 21 8.352 3.515 -2.579 1.00 0.00 C ATOM 377 CG TYR A 21 8.444 2.229 -3.378 1.00 0.00 C ATOM 378 CD1 TYR A 21 8.408 2.244 -4.768 1.00 0.00 C ATOM 379 CD2 TYR A 21 8.551 0.998 -2.743 1.00 0.00 C ATOM 380 CE1 TYR A 21 8.480 1.075 -5.500 1.00 0.00 C ATOM 381 CE2 TYR A 21 8.622 -0.177 -3.468 1.00 0.00 C ATOM 382 CZ TYR A 21 8.587 -0.133 -4.847 1.00 0.00 C ATOM 383 OH TYR A 21 8.655 -1.301 -5.571 1.00 0.00 O ATOM 0 H TYR A 21 7.998 4.994 -5.029 1.00 0.00 H new ATOM 0 HA TYR A 21 9.389 5.448 -2.487 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.778 3.345 -1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.301 3.764 -2.435 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.322 3.188 -5.285 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.579 0.958 -1.664 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.453 1.108 -6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.704 -1.125 -2.958 1.00 0.00 H new ATOM 0 HH TYR A 21 8.729 -2.062 -4.958 1.00 0.00 H new ATOM 393 N VAL A 22 11.435 4.251 -3.084 1.00 0.00 N ATOM 394 CA VAL A 22 12.747 3.752 -3.517 1.00 0.00 C ATOM 395 C VAL A 22 13.284 2.846 -2.429 1.00 0.00 C ATOM 396 O VAL A 22 13.297 3.213 -1.258 1.00 0.00 O ATOM 397 CB VAL A 22 13.837 4.829 -3.829 1.00 0.00 C ATOM 398 CG1 VAL A 22 15.190 4.449 -3.214 1.00 0.00 C ATOM 399 CG2 VAL A 22 14.031 4.981 -5.326 1.00 0.00 C ATOM 0 H VAL A 22 11.412 4.570 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 22 12.562 3.250 -4.467 1.00 0.00 H new ATOM 0 HB VAL A 22 13.486 5.766 -3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.926 5.218 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.087 4.364 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.520 3.494 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.794 5.735 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.347 4.028 -5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.092 5.289 -5.785 1.00 0.00 H new ATOM 409 N LEU A 23 13.753 1.681 -2.817 1.00 0.00 N ATOM 410 CA LEU A 23 14.309 0.757 -1.897 1.00 0.00 C ATOM 411 C LEU A 23 15.792 0.720 -2.135 1.00 0.00 C ATOM 412 O LEU A 23 16.221 0.391 -3.243 1.00 0.00 O ATOM 413 CB LEU A 23 13.735 -0.642 -2.134 1.00 0.00 C ATOM 414 CG LEU A 23 13.931 -1.622 -0.973 1.00 0.00 C ATOM 415 CD1 LEU A 23 12.797 -1.517 0.034 1.00 0.00 C ATOM 416 CD2 LEU A 23 14.063 -3.052 -1.485 1.00 0.00 C ATOM 0 H LEU A 23 13.752 1.362 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 23 14.076 1.061 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.668 -0.552 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.197 -1.062 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 23 14.857 -1.352 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.965 -2.225 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.761 -0.505 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.852 -1.746 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.201 -3.729 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.159 -3.329 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.923 -3.122 -2.151 1.00 0.00 H new ATOM 428 N LYS A 24 16.597 1.026 -1.135 1.00 0.00 N ATOM 429 CA LYS A 24 18.013 0.967 -1.370 1.00 0.00 C ATOM 430 C LYS A 24 18.539 -0.305 -0.770 1.00 0.00 C ATOM 431 O LYS A 24 18.486 -0.531 0.428 1.00 0.00 O ATOM 432 CB LYS A 24 18.733 2.176 -0.758 1.00 0.00 C ATOM 433 CG LYS A 24 17.982 3.489 -0.922 1.00 0.00 C ATOM 434 CD LYS A 24 17.864 4.234 0.400 1.00 0.00 C ATOM 435 CE LYS A 24 18.059 5.729 0.220 1.00 0.00 C ATOM 436 NZ LYS A 24 19.146 6.256 1.091 1.00 0.00 N ATOM 0 H LYS A 24 16.307 1.304 -0.198 1.00 0.00 H new ATOM 0 HA LYS A 24 18.198 0.987 -2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.894 1.991 0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.717 2.272 -1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 24 18.498 4.116 -1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.986 3.293 -1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.884 4.045 0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.606 3.852 1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.294 5.941 -0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.127 6.247 0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.248 7.280 0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.910 6.076 2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.041 5.781 0.856 1.00 0.00 H new ATOM 450 N PHE A 25 19.044 -1.141 -1.639 1.00 0.00 N ATOM 451 CA PHE A 25 19.549 -2.418 -1.230 1.00 0.00 C ATOM 452 C PHE A 25 21.055 -2.522 -1.387 1.00 0.00 C ATOM 453 O PHE A 25 21.623 -2.135 -2.407 1.00 0.00 O ATOM 454 CB PHE A 25 18.824 -3.492 -2.032 1.00 0.00 C ATOM 455 CG PHE A 25 19.288 -3.639 -3.457 1.00 0.00 C ATOM 456 CD1 PHE A 25 20.504 -4.236 -3.749 1.00 0.00 C ATOM 457 CD2 PHE A 25 18.501 -3.184 -4.505 1.00 0.00 C ATOM 458 CE1 PHE A 25 20.927 -4.376 -5.058 1.00 0.00 C ATOM 459 CE2 PHE A 25 18.920 -3.321 -5.815 1.00 0.00 C ATOM 460 CZ PHE A 25 20.134 -3.919 -6.092 1.00 0.00 C ATOM 0 H PHE A 25 19.115 -0.956 -2.639 1.00 0.00 H new ATOM 0 HA PHE A 25 19.358 -2.555 -0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 25 18.946 -4.449 -1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 25 17.758 -3.266 -2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 25 21.129 -4.596 -2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 25 17.550 -2.717 -4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 25 21.877 -4.843 -5.272 1.00 0.00 H new ATOM 0 HE2 PHE A 25 18.299 -2.961 -6.622 1.00 0.00 H new ATOM 0 HZ PHE A 25 20.462 -4.029 -7.115 1.00 0.00 H new ATOM 470 N ASP A 26 21.688 -3.053 -0.351 1.00 0.00 N ATOM 471 CA ASP A 26 23.139 -3.224 -0.341 1.00 0.00 C ATOM 472 C ASP A 26 23.514 -4.688 -0.134 1.00 0.00 C ATOM 473 O ASP A 26 24.136 -5.047 0.866 1.00 0.00 O ATOM 474 CB ASP A 26 23.772 -2.356 0.750 1.00 0.00 C ATOM 475 CG ASP A 26 23.033 -2.453 2.069 1.00 0.00 C ATOM 476 OD1 ASP A 26 22.055 -1.699 2.259 1.00 0.00 O ATOM 477 OD2 ASP A 26 23.434 -3.279 2.915 1.00 0.00 O ATOM 0 H ASP A 26 21.221 -3.374 0.497 1.00 0.00 H new ATOM 0 HA ASP A 26 23.524 -2.906 -1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 26 24.809 -2.659 0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.786 -1.317 0.421 1.00 0.00 H new ATOM 567 N ARG A 33 10.458 -10.027 2.852 1.00 0.00 N ATOM 568 CA ARG A 33 9.013 -9.803 2.779 1.00 0.00 C ATOM 569 C ARG A 33 8.570 -8.647 3.678 1.00 0.00 C ATOM 570 O ARG A 33 7.856 -7.741 3.247 1.00 0.00 O ATOM 571 CB ARG A 33 8.241 -11.074 3.166 1.00 0.00 C ATOM 572 CG ARG A 33 8.985 -12.374 2.887 1.00 0.00 C ATOM 573 CD ARG A 33 9.503 -12.436 1.457 1.00 0.00 C ATOM 574 NE ARG A 33 10.890 -12.893 1.400 1.00 0.00 N ATOM 575 CZ ARG A 33 11.453 -13.425 0.318 1.00 10.00 C ATOM 576 NH1 ARG A 33 10.755 -13.562 -0.804 1.00 10.00 N ATOM 577 NH2 ARG A 33 12.718 -13.819 0.355 1.00 0.00 N ATOM 0 HA ARG A 33 8.786 -9.542 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.000 -11.029 4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.295 -11.088 2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.821 -12.470 3.580 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.321 -13.219 3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.875 -13.108 0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.427 -11.449 1.000 1.00 0.00 H new ATOM 0 HE ARG A 33 11.461 -12.798 2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.782 -13.259 -0.839 1.00 10.00 H new ATOM 0 HH12 ARG A 33 11.192 -13.971 -1.630 1.00 10.00 H new ATOM 0 HH21 ARG A 33 13.260 -13.714 1.213 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.150 -14.227 -0.474 1.00 0.00 H new ATOM 591 N GLU A 34 8.999 -8.701 4.936 1.00 0.00 N ATOM 592 CA GLU A 34 8.662 -7.686 5.933 1.00 0.00 C ATOM 593 C GLU A 34 9.450 -6.397 5.749 1.00 0.00 C ATOM 594 O GLU A 34 8.900 -5.304 5.857 1.00 0.00 O ATOM 595 CB GLU A 34 8.909 -8.237 7.339 1.00 0.00 C ATOM 596 CG GLU A 34 8.509 -7.279 8.448 1.00 0.00 C ATOM 597 CD GLU A 34 8.464 -7.948 9.808 1.00 0.00 C ATOM 598 OE1 GLU A 34 9.545 -8.214 10.374 1.00 0.00 O ATOM 599 OE2 GLU A 34 7.348 -8.202 10.307 1.00 0.00 O ATOM 0 H GLU A 34 9.591 -9.450 5.294 1.00 0.00 H new ATOM 0 HA GLU A 34 7.607 -7.446 5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.355 -9.168 7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.966 -8.480 7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.215 -6.449 8.479 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.530 -6.856 8.222 1.00 0.00 H new ATOM 606 N GLU A 35 10.755 -6.527 5.532 1.00 0.00 N ATOM 607 CA GLU A 35 11.612 -5.358 5.412 1.00 0.00 C ATOM 608 C GLU A 35 11.173 -4.407 4.304 1.00 0.00 C ATOM 609 O GLU A 35 10.985 -3.225 4.562 1.00 0.00 O ATOM 610 CB GLU A 35 13.058 -5.795 5.180 1.00 0.00 C ATOM 611 CG GLU A 35 14.081 -4.719 5.512 1.00 0.00 C ATOM 612 CD GLU A 35 15.455 -5.291 5.797 1.00 0.00 C ATOM 613 OE1 GLU A 35 15.725 -5.637 6.966 1.00 0.00 O ATOM 614 OE2 GLU A 35 16.263 -5.394 4.849 1.00 0.00 O ATOM 0 H GLU A 35 11.236 -7.421 5.437 1.00 0.00 H new ATOM 0 HA GLU A 35 11.531 -4.809 6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.263 -6.678 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.177 -6.088 4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.149 -4.018 4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.740 -4.153 6.379 1.00 0.00 H new ATOM 621 N ILE A 36 10.990 -4.900 3.081 1.00 0.00 N ATOM 622 CA ILE A 36 10.564 -4.016 1.993 1.00 0.00 C ATOM 623 C ILE A 36 9.087 -3.663 2.120 1.00 0.00 C ATOM 624 O ILE A 36 8.719 -2.504 2.166 1.00 0.00 O ATOM 625 CB ILE A 36 10.831 -4.627 0.595 1.00 0.00 C ATOM 626 CG1 ILE A 36 10.305 -3.700 -0.505 1.00 0.00 C ATOM 627 CG2 ILE A 36 10.196 -6.001 0.468 1.00 0.00 C ATOM 628 CD1 ILE A 36 10.572 -4.211 -1.904 1.00 0.00 C ATOM 0 H ILE A 36 11.124 -5.877 2.820 1.00 0.00 H new ATOM 0 HA ILE A 36 11.163 -3.110 2.084 1.00 0.00 H new ATOM 0 HB ILE A 36 11.909 -4.737 0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.231 -3.567 -0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.764 -2.718 -0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.400 -6.406 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.613 -6.666 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 36 9.119 -5.919 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.172 -3.505 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.646 -4.317 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.090 -5.180 -2.036 1.00 0.00 H new ATOM 640 N LYS A 37 8.257 -4.677 2.178 1.00 0.00 N ATOM 641 CA LYS A 37 6.802 -4.498 2.290 1.00 0.00 C ATOM 642 C LYS A 37 6.394 -3.669 3.486 1.00 0.00 C ATOM 643 O LYS A 37 5.666 -2.688 3.337 1.00 0.00 O ATOM 644 CB LYS A 37 6.100 -5.855 2.326 1.00 0.00 C ATOM 645 CG LYS A 37 4.625 -5.788 1.954 1.00 0.00 C ATOM 646 CD LYS A 37 4.200 -7.000 1.144 1.00 0.00 C ATOM 647 CE LYS A 37 3.043 -6.671 0.215 1.00 0.00 C ATOM 648 NZ LYS A 37 3.059 -7.514 -1.011 1.00 0.00 N ATOM 0 H LYS A 37 8.555 -5.652 2.150 1.00 0.00 H new ATOM 0 HA LYS A 37 6.490 -3.945 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.608 -6.536 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.195 -6.278 3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.023 -5.725 2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.434 -4.881 1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.045 -7.363 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.909 -7.806 1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.101 -6.816 0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.092 -5.619 -0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.254 -7.259 -1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.947 -7.357 -1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.987 -8.517 -0.744 1.00 0.00 H new ATOM 662 N GLU A 38 6.826 -4.040 4.662 1.00 0.00 N ATOM 663 CA GLU A 38 6.440 -3.278 5.823 1.00 0.00 C ATOM 664 C GLU A 38 7.066 -1.886 5.788 1.00 0.00 C ATOM 665 O GLU A 38 6.363 -0.888 5.868 1.00 0.00 O ATOM 666 CB GLU A 38 6.781 -4.046 7.095 1.00 0.00 C ATOM 667 CG GLU A 38 7.995 -3.527 7.856 1.00 0.00 C ATOM 668 CD GLU A 38 8.223 -4.262 9.163 1.00 0.00 C ATOM 669 OE1 GLU A 38 7.307 -4.987 9.606 1.00 0.00 O ATOM 670 OE2 GLU A 38 9.320 -4.115 9.742 1.00 0.00 O ATOM 0 H GLU A 38 7.429 -4.843 4.842 1.00 0.00 H new ATOM 0 HA GLU A 38 5.360 -3.133 5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.917 -4.021 7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.953 -5.091 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.881 -3.625 7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.864 -2.464 8.059 1.00 0.00 H new ATOM 677 N LEU A 39 8.376 -1.800 5.637 1.00 0.00 N ATOM 678 CA LEU A 39 9.013 -0.494 5.585 1.00 0.00 C ATOM 679 C LEU A 39 8.444 0.357 4.442 1.00 0.00 C ATOM 680 O LEU A 39 8.395 1.582 4.551 1.00 0.00 O ATOM 681 CB LEU A 39 10.542 -0.633 5.538 1.00 0.00 C ATOM 682 CG LEU A 39 11.242 -0.039 4.323 1.00 0.00 C ATOM 683 CD1 LEU A 39 12.665 0.366 4.677 1.00 0.00 C ATOM 684 CD2 LEU A 39 11.237 -1.030 3.173 1.00 0.00 C ATOM 0 H LEU A 39 9.007 -2.597 5.550 1.00 0.00 H new ATOM 0 HA LEU A 39 8.781 0.045 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.955 -0.165 6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.790 -1.693 5.590 1.00 0.00 H new ATOM 0 HG LEU A 39 10.699 0.853 4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.152 0.789 3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.644 1.110 5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.220 -0.510 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.741 -0.591 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.758 -1.939 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.208 -1.273 2.906 1.00 0.00 H new ATOM 696 N ILE A 40 7.993 -0.279 3.355 1.00 0.00 N ATOM 697 CA ILE A 40 7.419 0.474 2.244 1.00 0.00 C ATOM 698 C ILE A 40 6.004 0.950 2.544 1.00 0.00 C ATOM 699 O ILE A 40 5.755 2.122 2.435 1.00 0.00 O ATOM 700 CB ILE A 40 7.460 -0.268 0.896 1.00 0.00 C ATOM 701 CG1 ILE A 40 6.528 -1.467 0.894 1.00 0.00 C ATOM 702 CG2 ILE A 40 8.888 -0.679 0.568 1.00 0.00 C ATOM 703 CD1 ILE A 40 6.618 -2.279 -0.376 1.00 0.00 C ATOM 0 H ILE A 40 8.014 -1.290 3.225 1.00 0.00 H new ATOM 0 HA ILE A 40 8.066 1.345 2.139 1.00 0.00 H new ATOM 0 HB ILE A 40 7.109 0.412 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.764 -2.106 1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.502 -1.124 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.905 -1.203 -0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.517 0.209 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.266 -1.338 1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.929 -3.122 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.354 -1.652 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.636 -2.650 -0.500 1.00 0.00 H new ATOM 715 N ALA A 41 5.082 0.064 2.933 1.00 0.00 N ATOM 716 CA ALA A 41 3.700 0.498 3.241 1.00 0.00 C ATOM 717 C ALA A 41 3.658 1.452 4.408 1.00 0.00 C ATOM 718 O ALA A 41 2.990 2.495 4.387 1.00 0.00 O ATOM 719 CB ALA A 41 2.810 -0.682 3.577 1.00 0.00 C ATOM 0 H ALA A 41 5.252 -0.936 3.043 1.00 0.00 H new ATOM 0 HA ALA A 41 3.337 0.998 2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.803 -0.327 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.776 -1.365 2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.210 -1.203 4.447 1.00 0.00 H new ATOM 725 N LYS A 42 4.367 1.074 5.434 1.00 0.00 N ATOM 726 CA LYS A 42 4.412 1.849 6.636 1.00 0.00 C ATOM 727 C LYS A 42 4.841 3.257 6.281 1.00 0.00 C ATOM 728 O LYS A 42 4.123 4.218 6.578 1.00 0.00 O ATOM 729 CB LYS A 42 5.294 1.101 7.634 1.00 0.00 C ATOM 730 CG LYS A 42 4.841 -0.368 7.740 1.00 0.00 C ATOM 731 CD LYS A 42 5.448 -1.103 8.922 1.00 0.00 C ATOM 732 CE LYS A 42 4.715 -2.419 9.176 1.00 0.00 C ATOM 733 NZ LYS A 42 3.855 -2.350 10.390 1.00 0.00 N ATOM 0 H LYS A 42 4.928 0.222 5.458 1.00 0.00 H new ATOM 0 HA LYS A 42 3.446 1.967 7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.336 1.147 7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.237 1.579 8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.754 -0.400 7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.108 -0.890 6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.503 -1.300 8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.397 -0.475 9.812 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.101 -2.666 8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.442 -3.223 9.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.593 -3.312 10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.377 -1.883 11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.994 -1.807 10.175 1.00 0.00 H new ATOM 747 N HIS A 43 5.930 3.366 5.525 1.00 0.00 N ATOM 748 CA HIS A 43 6.373 4.657 5.020 1.00 0.00 C ATOM 749 C HIS A 43 5.315 5.223 4.111 1.00 0.00 C ATOM 750 O HIS A 43 4.973 6.396 4.171 1.00 0.00 O ATOM 751 CB HIS A 43 7.610 4.507 4.165 1.00 0.00 C ATOM 752 CG HIS A 43 8.868 4.260 4.936 1.00 0.00 C ATOM 753 ND1 HIS A 43 10.118 4.610 4.468 1.00 0.00 N ATOM 754 CD2 HIS A 43 9.068 3.693 6.149 1.00 0.00 C ATOM 755 CE1 HIS A 43 11.030 4.270 5.362 1.00 0.00 C ATOM 756 NE2 HIS A 43 10.419 3.714 6.391 1.00 0.00 N ATOM 0 H HIS A 43 6.518 2.579 5.251 1.00 0.00 H new ATOM 0 HA HIS A 43 6.570 5.296 5.881 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.458 3.683 3.468 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.736 5.410 3.568 1.00 0.00 H new ATOM 0 HD1 HIS A 43 10.308 5.060 3.573 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.306 3.298 6.804 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.095 4.422 5.267 1.00 0.00 H new ATOM 765 N GLU A 44 4.814 4.339 3.258 1.00 0.00 N ATOM 766 CA GLU A 44 3.793 4.665 2.285 1.00 0.00 C ATOM 767 C GLU A 44 2.668 5.438 2.930 1.00 0.00 C ATOM 768 O GLU A 44 1.844 6.045 2.252 1.00 0.00 O ATOM 769 CB GLU A 44 3.303 3.399 1.584 1.00 0.00 C ATOM 770 CG GLU A 44 4.348 2.801 0.631 1.00 0.00 C ATOM 771 CD GLU A 44 4.165 1.323 0.324 1.00 0.00 C ATOM 772 OE1 GLU A 44 3.112 0.758 0.674 1.00 0.00 O ATOM 773 OE2 GLU A 44 5.082 0.729 -0.273 1.00 0.00 O ATOM 0 H GLU A 44 5.113 3.364 3.226 1.00 0.00 H new ATOM 0 HA GLU A 44 4.223 5.312 1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.035 2.655 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.396 3.628 1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.324 3.357 -0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.338 2.947 1.063 1.00 0.00 H new ATOM 780 N GLY A 45 2.641 5.420 4.248 1.00 0.00 N ATOM 781 CA GLY A 45 1.619 6.130 4.951 1.00 0.00 C ATOM 782 C GLY A 45 0.569 5.150 5.408 1.00 0.00 C ATOM 783 O GLY A 45 -0.609 5.491 5.523 1.00 0.00 O ATOM 0 H GLY A 45 3.310 4.925 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.044 6.653 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.173 6.886 4.305 1.00 0.00 H new ATOM 787 N VAL A 46 0.989 3.887 5.552 1.00 0.00 N ATOM 788 CA VAL A 46 0.044 2.820 5.865 1.00 0.00 C ATOM 789 C VAL A 46 0.646 1.602 6.580 1.00 0.00 C ATOM 790 O VAL A 46 1.854 1.454 6.667 1.00 0.00 O ATOM 791 CB VAL A 46 -0.619 2.381 4.563 1.00 0.00 C ATOM 792 CG1 VAL A 46 -1.894 3.185 4.334 1.00 0.00 C ATOM 793 CG2 VAL A 46 0.364 2.557 3.400 1.00 0.00 C ATOM 0 H VAL A 46 1.959 3.587 5.458 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.671 3.233 6.576 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.890 1.327 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.363 2.867 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.583 3.018 5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.649 4.245 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.112 2.243 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.653 3.605 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.251 1.948 3.578 1.00 0.00 H new ATOM 803 N ASP A 47 -0.233 0.720 7.072 1.00 0.00 N ATOM 804 CA ASP A 47 0.183 -0.506 7.772 1.00 0.00 C ATOM 805 C ASP A 47 0.632 -1.616 6.803 1.00 0.00 C ATOM 806 O ASP A 47 0.659 -1.426 5.588 1.00 0.00 O ATOM 807 CB ASP A 47 -0.966 -1.037 8.623 1.00 0.00 C ATOM 808 CG ASP A 47 -1.743 0.068 9.313 1.00 0.00 C ATOM 809 OD1 ASP A 47 -1.104 0.958 9.911 1.00 0.00 O ATOM 810 OD2 ASP A 47 -2.991 0.040 9.256 1.00 0.00 O ATOM 0 H ASP A 47 -1.244 0.832 6.998 1.00 0.00 H new ATOM 0 HA ASP A 47 1.034 -0.236 8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.644 -1.613 7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.571 -1.721 9.374 1.00 0.00 H new ATOM 815 N LYS A 48 0.977 -2.782 7.373 1.00 0.00 N ATOM 816 CA LYS A 48 1.425 -3.951 6.607 1.00 0.00 C ATOM 817 C LYS A 48 0.291 -4.577 5.800 1.00 0.00 C ATOM 818 O LYS A 48 0.506 -5.155 4.740 1.00 0.00 O ATOM 819 CB LYS A 48 2.030 -4.995 7.546 1.00 0.00 C ATOM 820 CG LYS A 48 1.071 -5.478 8.622 1.00 0.00 C ATOM 821 CD LYS A 48 1.454 -4.943 9.993 1.00 0.00 C ATOM 822 CE LYS A 48 0.363 -5.212 11.020 1.00 0.00 C ATOM 823 NZ LYS A 48 -0.044 -6.645 11.032 1.00 0.00 N ATOM 0 H LYS A 48 0.952 -2.938 8.381 1.00 0.00 H new ATOM 0 HA LYS A 48 2.182 -3.607 5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.363 -5.850 6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.914 -4.573 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.058 -5.160 8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.067 -6.568 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.385 -5.407 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.638 -3.871 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.718 -4.927 12.010 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.504 -4.590 10.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.327 -6.917 11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.845 -6.784 10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.756 -7.236 10.726 1.00 0.00 H new ATOM 837 N GLU A 49 -0.918 -4.476 6.316 1.00 0.00 N ATOM 838 CA GLU A 49 -2.079 -5.041 5.630 1.00 0.00 C ATOM 839 C GLU A 49 -2.317 -4.296 4.320 1.00 0.00 C ATOM 840 O GLU A 49 -2.627 -4.884 3.282 1.00 0.00 O ATOM 841 CB GLU A 49 -3.316 -4.927 6.523 1.00 0.00 C ATOM 842 CG GLU A 49 -3.493 -6.088 7.481 1.00 0.00 C ATOM 843 CD GLU A 49 -2.230 -6.411 8.254 1.00 0.00 C ATOM 844 OE1 GLU A 49 -1.942 -5.703 9.243 1.00 0.00 O ATOM 845 OE2 GLU A 49 -1.527 -7.369 7.869 1.00 0.00 O ATOM 0 H GLU A 49 -1.128 -4.013 7.200 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.890 -6.093 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.254 -4.002 7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.202 -4.852 5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.293 -5.855 8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.807 -6.970 6.922 1.00 0.00 H new ATOM 852 N LEU A 50 -2.183 -2.989 4.416 1.00 0.00 N ATOM 853 CA LEU A 50 -2.376 -2.062 3.337 1.00 0.00 C ATOM 854 C LEU A 50 -1.209 -2.019 2.348 1.00 0.00 C ATOM 855 O LEU A 50 -1.084 -1.055 1.606 1.00 0.00 O ATOM 856 CB LEU A 50 -2.587 -0.665 3.954 1.00 0.00 C ATOM 857 CG LEU A 50 -3.081 -0.601 5.414 1.00 0.00 C ATOM 858 CD1 LEU A 50 -3.688 0.761 5.704 1.00 0.00 C ATOM 859 CD2 LEU A 50 -4.088 -1.706 5.732 1.00 0.00 C ATOM 0 H LEU A 50 -1.925 -2.531 5.290 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.241 -2.390 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.643 -0.124 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.303 -0.127 3.332 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.214 -0.756 6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.033 0.793 6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.937 1.535 5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.531 0.934 5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.407 -1.620 6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.954 -1.608 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.622 -2.679 5.575 1.00 0.00 H new ATOM 871 N VAL A 51 -0.341 -3.028 2.299 1.00 0.00 N ATOM 872 CA VAL A 51 0.761 -2.929 1.345 1.00 0.00 C ATOM 873 C VAL A 51 0.522 -3.684 0.042 1.00 0.00 C ATOM 874 O VAL A 51 0.528 -4.916 -0.001 1.00 0.00 O ATOM 875 CB VAL A 51 2.082 -3.453 1.941 1.00 0.00 C ATOM 876 CG1 VAL A 51 3.247 -2.627 1.432 1.00 0.00 C ATOM 877 CG2 VAL A 51 2.040 -3.460 3.462 1.00 0.00 C ATOM 0 H VAL A 51 -0.371 -3.873 2.869 1.00 0.00 H new ATOM 0 HA VAL A 51 0.825 -1.863 1.126 1.00 0.00 H new ATOM 0 HB VAL A 51 2.218 -4.485 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.176 -3.006 1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.294 -2.695 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.111 -1.586 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.987 -3.835 3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.875 -2.446 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.228 -4.104 3.801 1.00 0.00 H new ATOM 887 N ILE A 52 0.418 -2.910 -1.032 1.00 0.00 N ATOM 888 CA ILE A 52 0.300 -3.428 -2.387 1.00 0.00 C ATOM 889 C ILE A 52 1.289 -2.659 -3.262 1.00 0.00 C ATOM 890 O ILE A 52 1.051 -1.492 -3.561 1.00 0.00 O ATOM 891 CB ILE A 52 -1.146 -3.306 -2.924 1.00 0.00 C ATOM 892 CG1 ILE A 52 -1.252 -3.801 -4.368 1.00 0.00 C ATOM 893 CG2 ILE A 52 -1.663 -1.886 -2.807 1.00 0.00 C ATOM 894 CD1 ILE A 52 -0.639 -2.870 -5.398 1.00 0.00 C ATOM 0 H ILE A 52 0.413 -1.891 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 52 0.534 -4.492 -2.400 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.773 -3.945 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.767 -4.774 -4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.304 -3.950 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.681 -1.836 -3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.657 -1.582 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.023 -1.217 -3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.759 -3.299 -6.393 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.139 -1.902 -5.357 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.422 -2.739 -5.185 1.00 0.00 H new ATOM 906 N VAL A 53 2.407 -3.254 -3.656 1.00 0.00 N ATOM 907 CA VAL A 53 3.368 -2.494 -4.455 1.00 0.00 C ATOM 908 C VAL A 53 3.784 -3.195 -5.747 1.00 0.00 C ATOM 909 O VAL A 53 4.448 -4.232 -5.734 1.00 0.00 O ATOM 910 CB VAL A 53 4.623 -2.165 -3.618 1.00 0.00 C ATOM 911 CG1 VAL A 53 4.252 -1.337 -2.385 1.00 0.00 C ATOM 912 CG2 VAL A 53 5.341 -3.436 -3.207 1.00 0.00 C ATOM 0 H VAL A 53 2.668 -4.218 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 53 2.855 -1.577 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 53 5.297 -1.574 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.152 -1.117 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.786 -0.404 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.554 -1.900 -1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.222 -3.182 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.672 -4.055 -2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.646 -3.986 -4.097 1.00 0.00 H new ATOM 922 N ASP A 54 3.396 -2.583 -6.867 1.00 0.00 N ATOM 923 CA ASP A 54 3.726 -3.084 -8.198 1.00 0.00 C ATOM 924 C ASP A 54 4.612 -2.098 -8.951 1.00 0.00 C ATOM 925 O ASP A 54 4.586 -0.897 -8.684 1.00 0.00 O ATOM 926 CB ASP A 54 2.450 -3.359 -8.996 1.00 0.00 C ATOM 927 CG ASP A 54 1.873 -4.731 -8.708 1.00 0.00 C ATOM 928 OD1 ASP A 54 1.617 -5.030 -7.522 1.00 0.00 O ATOM 929 OD2 ASP A 54 1.678 -5.505 -9.668 1.00 0.00 O ATOM 0 H ASP A 54 2.844 -1.725 -6.875 1.00 0.00 H new ATOM 0 HA ASP A 54 4.277 -4.017 -8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.706 -2.598 -8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.666 -3.275 -10.061 1.00 0.00 H new ATOM 934 N ASN A 55 5.372 -2.610 -9.911 1.00 0.00 N ATOM 935 CA ASN A 55 6.244 -1.775 -10.731 1.00 0.00 C ATOM 936 C ASN A 55 7.458 -1.273 -9.958 1.00 0.00 C ATOM 937 O ASN A 55 7.386 -0.989 -8.762 1.00 0.00 O ATOM 938 CB ASN A 55 5.462 -0.587 -11.305 1.00 0.00 C ATOM 939 CG ASN A 55 5.375 -0.629 -12.818 1.00 0.00 C ATOM 940 OD1 ASN A 55 6.393 -0.617 -13.510 1.00 0.00 O ATOM 941 ND2 ASN A 55 4.154 -0.679 -13.339 1.00 0.00 N ATOM 0 H ASN A 55 5.403 -3.603 -10.142 1.00 0.00 H new ATOM 0 HA ASN A 55 6.609 -2.399 -11.547 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.456 -0.581 -10.886 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.941 0.343 -10.997 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.032 -0.709 -14.351 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.338 -0.687 -12.727 1.00 0.00 H new ATOM 948 N ASN A 56 8.572 -1.170 -10.671 1.00 0.00 N ATOM 949 CA ASN A 56 9.833 -0.704 -10.101 1.00 0.00 C ATOM 950 C ASN A 56 10.613 0.151 -11.103 1.00 0.00 C ATOM 951 O ASN A 56 11.539 -0.343 -11.747 1.00 0.00 O ATOM 952 CB ASN A 56 10.698 -1.897 -9.673 1.00 0.00 C ATOM 953 CG ASN A 56 10.664 -3.031 -10.678 1.00 0.00 C ATOM 954 OD1 ASN A 56 11.407 -3.027 -11.660 1.00 0.00 O ATOM 955 ND2 ASN A 56 9.800 -4.009 -10.439 1.00 0.00 N ATOM 0 H ASN A 56 8.629 -1.407 -11.661 1.00 0.00 H new ATOM 0 HA ASN A 56 9.595 -0.093 -9.231 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.728 -1.565 -9.540 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.353 -2.263 -8.706 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.733 -4.798 -11.082 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.203 -3.972 -9.613 1.00 0.00 H new ATOM 962 N LYS A 57 10.272 1.442 -11.217 1.00 0.00 N ATOM 963 CA LYS A 57 11.009 2.315 -12.128 1.00 0.00 C ATOM 964 C LYS A 57 12.327 2.657 -11.458 1.00 0.00 C ATOM 965 O LYS A 57 12.357 3.328 -10.433 1.00 0.00 O ATOM 966 CB LYS A 57 10.226 3.605 -12.441 1.00 0.00 C ATOM 967 CG LYS A 57 9.560 4.235 -11.223 1.00 0.00 C ATOM 968 CD LYS A 57 9.506 5.760 -11.300 1.00 0.00 C ATOM 969 CE LYS A 57 9.715 6.404 -9.927 1.00 0.00 C ATOM 970 NZ LYS A 57 10.685 7.531 -9.992 1.00 0.00 N ATOM 0 H LYS A 57 9.513 1.891 -10.705 1.00 0.00 H new ATOM 0 HA LYS A 57 11.167 1.803 -13.077 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.905 4.331 -12.888 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.462 3.383 -13.186 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.547 3.845 -11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.103 3.940 -10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.271 6.117 -11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.543 6.070 -11.705 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.760 6.766 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.075 5.653 -9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.713 8.018 -9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.631 7.162 -10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.390 8.201 -10.730 1.00 0.00 H new ATOM 984 N GLN A 58 13.418 2.167 -12.017 1.00 0.00 N ATOM 985 CA GLN A 58 14.720 2.395 -11.417 1.00 0.00 C ATOM 986 C GLN A 58 15.594 3.314 -12.254 1.00 0.00 C ATOM 987 O GLN A 58 15.758 3.122 -13.459 1.00 0.00 O ATOM 988 CB GLN A 58 15.419 1.054 -11.174 1.00 0.00 C ATOM 989 CG GLN A 58 16.628 1.149 -10.262 1.00 0.00 C ATOM 990 CD GLN A 58 17.916 0.732 -10.945 1.00 0.00 C ATOM 991 OE1 GLN A 58 18.496 -0.304 -10.623 1.00 0.00 O ATOM 992 NE2 GLN A 58 18.372 1.539 -11.896 1.00 0.00 N ATOM 0 H GLN A 58 13.430 1.615 -12.875 1.00 0.00 H new ATOM 0 HA GLN A 58 14.561 2.901 -10.465 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.703 0.355 -10.741 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.730 0.638 -12.132 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.728 2.174 -9.904 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.467 0.520 -9.386 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.860 2.389 -12.132 1.00 0.00 H new ATOM 0 HE22 GLN A 58 19.234 1.309 -12.390 1.00 0.00 H new ATOM 1063 N HIS A 63 22.162 1.481 -7.166 1.00 0.00 N ATOM 1064 CA HIS A 63 21.738 0.088 -7.030 1.00 0.00 C ATOM 1065 C HIS A 63 20.448 -0.018 -6.222 1.00 0.00 C ATOM 1066 O HIS A 63 20.241 -0.982 -5.490 1.00 0.00 O ATOM 1067 CB HIS A 63 22.835 -0.744 -6.357 1.00 0.00 C ATOM 1068 CG HIS A 63 24.213 -0.463 -6.875 1.00 0.00 C ATOM 1069 ND1 HIS A 63 24.826 -1.234 -7.838 1.00 0.00 N ATOM 1070 CD2 HIS A 63 25.095 0.513 -6.557 1.00 0.00 C ATOM 1071 CE1 HIS A 63 26.029 -0.746 -8.090 1.00 0.00 C ATOM 1072 NE2 HIS A 63 26.215 0.315 -7.326 1.00 0.00 N ATOM 0 HA HIS A 63 21.555 -0.301 -8.032 1.00 0.00 H new ATOM 0 HB2 HIS A 63 22.815 -0.554 -5.284 1.00 0.00 H new ATOM 0 HB3 HIS A 63 22.613 -1.802 -6.498 1.00 0.00 H new ATOM 0 HD2 HIS A 63 24.946 1.301 -5.833 1.00 0.00 H new ATOM 0 HE1 HIS A 63 26.738 -1.147 -8.799 1.00 0.00 H new ATOM 0 HE2 HIS A 63 27.055 0.894 -7.310 1.00 0.00 H new ATOM 1081 N GLU A 64 19.592 0.994 -6.343 1.00 0.00 N ATOM 1082 CA GLU A 64 18.348 1.044 -5.624 1.00 0.00 C ATOM 1083 C GLU A 64 17.226 1.309 -6.617 1.00 0.00 C ATOM 1084 O GLU A 64 17.482 1.805 -7.715 1.00 0.00 O ATOM 1085 CB GLU A 64 18.457 2.104 -4.537 1.00 0.00 C ATOM 1086 CG GLU A 64 19.750 1.956 -3.731 1.00 0.00 C ATOM 1087 CD GLU A 64 20.331 3.289 -3.302 1.00 0.00 C ATOM 1088 OE1 GLU A 64 19.856 4.332 -3.797 1.00 0.00 O ATOM 1089 OE2 GLU A 64 21.263 3.290 -2.469 1.00 0.00 O ATOM 0 H GLU A 64 19.754 1.799 -6.948 1.00 0.00 H new ATOM 0 HA GLU A 64 18.123 0.100 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.422 3.095 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.600 2.029 -3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 64 19.554 1.349 -2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.486 1.420 -4.329 1.00 0.00 H new ATOM 1096 N ILE A 65 16.004 0.922 -6.286 1.00 0.00 N ATOM 1097 CA ILE A 65 14.909 1.076 -7.231 1.00 0.00 C ATOM 1098 C ILE A 65 13.876 2.087 -6.786 1.00 0.00 C ATOM 1099 O ILE A 65 13.617 2.265 -5.602 1.00 0.00 O ATOM 1100 CB ILE A 65 14.158 -0.258 -7.472 1.00 0.00 C ATOM 1101 CG1 ILE A 65 13.194 -0.554 -6.329 1.00 0.00 C ATOM 1102 CG2 ILE A 65 15.117 -1.412 -7.649 1.00 0.00 C ATOM 1103 CD1 ILE A 65 11.810 0.007 -6.561 1.00 0.00 C ATOM 0 H ILE A 65 15.748 0.507 -5.390 1.00 0.00 H new ATOM 0 HA ILE A 65 15.390 1.422 -8.146 1.00 0.00 H new ATOM 0 HB ILE A 65 13.588 -0.144 -8.394 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.124 -1.633 -6.191 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.597 -0.140 -5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.554 -2.330 -7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.762 -1.221 -8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.728 -1.518 -6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.171 -0.237 -5.712 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.870 1.090 -6.670 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.389 -0.426 -7.468 1.00 0.00 H new ATOM 1115 N GLU A 66 13.277 2.710 -7.787 1.00 0.00 N ATOM 1116 CA GLU A 66 12.230 3.695 -7.605 1.00 0.00 C ATOM 1117 C GLU A 66 10.978 3.118 -8.226 1.00 0.00 C ATOM 1118 O GLU A 66 11.055 2.161 -8.995 1.00 0.00 O ATOM 1119 CB GLU A 66 12.610 5.011 -8.315 1.00 0.00 C ATOM 1120 CG GLU A 66 12.359 6.297 -7.525 1.00 0.00 C ATOM 1121 CD GLU A 66 11.189 6.211 -6.563 1.00 0.00 C ATOM 1122 OE1 GLU A 66 10.043 6.050 -7.033 1.00 0.00 O ATOM 1123 OE2 GLU A 66 11.418 6.317 -5.341 1.00 0.00 O ATOM 0 H GLU A 66 13.511 2.541 -8.765 1.00 0.00 H new ATOM 0 HA GLU A 66 12.081 3.916 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.668 4.968 -8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.054 5.069 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.259 6.549 -6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.181 7.113 -8.226 1.00 0.00 H new ATOM 1130 N GLY A 67 9.834 3.659 -7.895 1.00 0.00 N ATOM 1131 CA GLY A 67 8.621 3.129 -8.459 1.00 0.00 C ATOM 1132 C GLY A 67 7.394 3.777 -7.911 1.00 0.00 C ATOM 1133 O GLY A 67 7.450 4.851 -7.304 1.00 0.00 O ATOM 0 H GLY A 67 9.717 4.445 -7.255 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.642 3.259 -9.541 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.576 2.057 -8.268 1.00 0.00 H new ATOM 1137 N TYR A 68 6.285 3.097 -8.088 1.00 0.00 N ATOM 1138 CA TYR A 68 5.033 3.576 -7.584 1.00 0.00 C ATOM 1139 C TYR A 68 4.491 2.520 -6.664 1.00 0.00 C ATOM 1140 O TYR A 68 4.524 1.329 -6.965 1.00 0.00 O ATOM 1141 CB TYR A 68 4.052 3.851 -8.729 1.00 0.00 C ATOM 1142 CG TYR A 68 3.753 5.318 -8.937 1.00 0.00 C ATOM 1143 CD1 TYR A 68 4.730 6.188 -9.405 1.00 0.00 C ATOM 1144 CD2 TYR A 68 2.491 5.833 -8.668 1.00 0.00 C ATOM 1145 CE1 TYR A 68 4.457 7.528 -9.600 1.00 0.00 C ATOM 1146 CE2 TYR A 68 2.210 7.172 -8.860 1.00 0.00 C ATOM 1147 CZ TYR A 68 3.196 8.016 -9.325 1.00 0.00 C ATOM 1148 OH TYR A 68 2.922 9.350 -9.521 1.00 0.00 O ATOM 0 H TYR A 68 6.232 2.206 -8.581 1.00 0.00 H new ATOM 0 HA TYR A 68 5.172 4.517 -7.051 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.460 3.439 -9.652 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.119 3.324 -8.530 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.719 5.811 -9.620 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.716 5.175 -8.302 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.227 8.191 -9.966 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.223 7.556 -8.647 1.00 0.00 H new ATOM 0 HH TYR A 68 1.989 9.531 -9.281 1.00 0.00 H new ATOM 1158 N THR A 69 4.041 2.967 -5.522 1.00 0.00 N ATOM 1159 CA THR A 69 3.542 2.073 -4.518 1.00 0.00 C ATOM 1160 C THR A 69 2.094 2.398 -4.203 1.00 0.00 C ATOM 1161 O THR A 69 1.687 3.559 -4.179 1.00 0.00 O ATOM 1162 CB THR A 69 4.467 2.158 -3.292 1.00 0.00 C ATOM 1163 OG1 THR A 69 5.151 3.399 -3.267 1.00 0.00 O ATOM 1164 CG2 THR A 69 5.518 1.082 -3.301 1.00 0.00 C ATOM 0 H THR A 69 4.011 3.954 -5.265 1.00 0.00 H new ATOM 0 HA THR A 69 3.548 1.041 -4.870 1.00 0.00 H new ATOM 0 HB THR A 69 3.823 2.041 -2.420 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.663 4.053 -3.810 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.148 1.181 -2.417 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.037 0.104 -3.296 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.132 1.180 -4.196 1.00 0.00 H new ATOM 1172 N LYS A 70 1.313 1.361 -4.000 1.00 0.00 N ATOM 1173 CA LYS A 70 -0.094 1.523 -3.713 1.00 0.00 C ATOM 1174 C LYS A 70 -0.425 0.824 -2.428 1.00 0.00 C ATOM 1175 O LYS A 70 0.170 -0.194 -2.092 1.00 0.00 O ATOM 1176 CB LYS A 70 -0.923 0.950 -4.842 1.00 0.00 C ATOM 1177 CG LYS A 70 -2.128 1.797 -5.216 1.00 0.00 C ATOM 1178 CD LYS A 70 -3.293 1.557 -4.269 1.00 0.00 C ATOM 1179 CE LYS A 70 -4.606 1.419 -5.025 1.00 0.00 C ATOM 1180 NZ LYS A 70 -5.747 1.138 -4.109 1.00 0.00 N ATOM 0 H LYS A 70 1.631 0.392 -4.029 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.322 2.585 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.289 0.831 -5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.265 -0.045 -4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.853 2.852 -5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.434 1.566 -6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.110 0.654 -3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.364 2.383 -3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.803 2.336 -5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.521 0.615 -5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.567 0.819 -4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.475 0.395 -3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.997 2.004 -3.590 1.00 0.00 H new ATOM 1194 N ILE A 71 -1.333 1.391 -1.679 1.00 0.00 N ATOM 1195 CA ILE A 71 -1.681 0.803 -0.415 1.00 0.00 C ATOM 1196 C ILE A 71 -3.166 0.764 -0.195 1.00 0.00 C ATOM 1197 O ILE A 71 -3.889 1.720 -0.571 1.00 0.00 O ATOM 1198 CB ILE A 71 -0.985 1.541 0.712 1.00 0.00 C ATOM 1199 CG1 ILE A 71 0.522 1.263 0.628 1.00 0.00 C ATOM 1200 CG2 ILE A 71 -1.568 1.162 2.051 1.00 0.00 C ATOM 1201 CD1 ILE A 71 1.236 2.088 -0.431 1.00 0.00 C ATOM 0 H ILE A 71 -1.837 2.245 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.339 -0.232 -0.427 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.144 2.614 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.975 1.464 1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.676 0.205 0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.050 1.706 2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.628 1.415 2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.448 0.090 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.297 1.838 -0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.810 1.870 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.113 3.148 -0.210 1.00 0.00 H new ATOM 1213 N TYR A 72 -3.592 -0.345 0.441 1.00 0.00 N ATOM 1214 CA TYR A 72 -5.003 -0.566 0.757 1.00 0.00 C ATOM 1215 C TYR A 72 -5.275 -0.757 2.268 1.00 0.00 C ATOM 1216 O TYR A 72 -4.783 -1.703 2.917 1.00 0.00 O ATOM 1217 CB TYR A 72 -5.554 -1.755 -0.039 1.00 0.00 C ATOM 1218 CG TYR A 72 -4.790 -3.050 0.142 1.00 0.00 C ATOM 1219 CD1 TYR A 72 -3.467 -3.170 -0.259 1.00 0.00 C ATOM 1220 CD2 TYR A 72 -5.405 -4.159 0.706 1.00 0.00 C ATOM 1221 CE1 TYR A 72 -2.779 -4.358 -0.102 1.00 0.00 C ATOM 1222 CE2 TYR A 72 -4.722 -5.350 0.867 1.00 0.00 C ATOM 1223 CZ TYR A 72 -3.410 -5.442 0.463 1.00 0.00 C ATOM 1224 OH TYR A 72 -2.725 -6.626 0.621 1.00 0.00 O ATOM 0 H TYR A 72 -2.973 -1.097 0.743 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.526 0.344 0.463 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.592 -1.918 0.251 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.556 -1.496 -1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.967 -2.321 -0.701 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.435 -4.090 1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -1.750 -4.435 -0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.216 -6.204 1.308 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.313 -7.291 1.036 1.00 0.00 H new ATOM 1234 N ALA A 73 -6.091 0.156 2.811 1.00 0.00 N ATOM 1235 CA ALA A 73 -6.505 0.119 4.213 1.00 0.00 C ATOM 1236 C ALA A 73 -7.803 -0.664 4.363 1.00 0.00 C ATOM 1237 O ALA A 73 -8.265 -0.912 5.472 1.00 0.00 O ATOM 1238 CB ALA A 73 -6.692 1.519 4.779 1.00 0.00 C ATOM 0 H ALA A 73 -6.481 0.940 2.288 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.711 -0.376 4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.000 1.451 5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.752 2.067 4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.459 2.043 4.208 1.00 0.00 H new ATOM 1244 N ASP A 74 -8.403 -1.028 3.231 1.00 0.00 N ATOM 1245 CA ASP A 74 -9.661 -1.753 3.240 1.00 0.00 C ATOM 1246 C ASP A 74 -9.438 -3.217 3.648 1.00 0.00 C ATOM 1247 O ASP A 74 -10.394 -3.938 3.936 1.00 0.00 O ATOM 1248 CB ASP A 74 -10.329 -1.667 1.853 1.00 0.00 C ATOM 1249 CG ASP A 74 -9.548 -2.414 0.789 1.00 0.00 C ATOM 1250 OD1 ASP A 74 -9.616 -3.662 0.770 1.00 0.00 O ATOM 1251 OD2 ASP A 74 -8.870 -1.753 -0.024 1.00 0.00 O ATOM 0 H ASP A 74 -8.035 -0.831 2.300 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.325 -1.296 3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.338 -2.075 1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.424 -0.621 1.563 1.00 0.00 H new