USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 485 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 36 ASN : amide:sc= -1.23! C(o=-1.2!,f=-4.4!) USER MOD Set 1.2: A 37 ASN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 2.1: A 21 TYR OH : rot 172:sc= 0.0074 USER MOD Set 2.2: A 32 HIS : no HD1:sc= -0.526 X(o=-0.52,f=-0.45) USER MOD Set 3.1: A 1 ARG N :NH3+ 172:sc= 1.14 (180deg=0) USER MOD Set 3.2: A 4 GLN : amide:sc= 0.966 K(o=2.1,f=-5.6!) USER MOD Single : A 2 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.108) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.7 X(o=-1.7,f=-2.2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0751) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= -0.014 (180deg=-0.205) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= -0.0132 (180deg=-0.26) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0348 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 163:sc=-0.00691 (180deg=-0.273) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 78:sc= 0.714 USER MOD Single : A 50 MET CE :methyl -125:sc= 0 (180deg=-0.112) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= -0.0273 (180deg=-0.122) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -15.034 2.250 -7.891 1.00 0.00 N ATOM 2 CA ARG A 1 -14.973 1.174 -8.897 1.00 0.00 C ATOM 3 C ARG A 1 -13.531 0.998 -9.373 1.00 0.00 C ATOM 4 O ARG A 1 -12.752 1.938 -9.309 1.00 0.00 O ATOM 5 CB ARG A 1 -15.907 1.503 -10.072 1.00 0.00 C ATOM 6 CG ARG A 1 -16.047 0.291 -11.002 1.00 0.00 C ATOM 7 CD ARG A 1 -17.168 0.540 -12.017 1.00 0.00 C ATOM 8 NE ARG A 1 -18.494 0.478 -11.378 1.00 0.00 N ATOM 9 CZ ARG A 1 -19.139 -0.678 -11.120 1.00 0.00 C ATOM 10 NH1 ARG A 1 -18.561 -1.855 -11.397 1.00 0.00 N ATOM 11 NH2 ARG A 1 -20.366 -0.648 -10.582 1.00 0.00 N ATOM 0 H1 ARG A 1 -16.028 2.461 -7.668 1.00 0.00 H new ATOM 0 H2 ARG A 1 -14.543 1.945 -7.027 1.00 0.00 H new ATOM 0 H3 ARG A 1 -14.575 3.104 -8.268 1.00 0.00 H new ATOM 0 HA ARG A 1 -15.306 0.236 -8.452 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -16.887 1.795 -9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -15.514 2.353 -10.630 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -15.107 0.110 -11.523 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -16.265 -0.603 -10.418 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -17.031 1.517 -12.481 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -17.111 -0.202 -12.814 1.00 0.00 H new ATOM 0 HE ARG A 1 -18.947 1.354 -11.117 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -17.627 -1.881 -11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -19.055 -2.725 -11.199 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -20.808 0.246 -10.370 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -20.858 -1.520 -10.385 1.00 0.00 H new ATOM 27 N LYS A 2 -13.181 -0.210 -9.843 1.00 0.00 N ATOM 28 CA LYS A 2 -11.831 -0.507 -10.333 1.00 0.00 C ATOM 29 C LYS A 2 -10.771 -0.065 -9.311 1.00 0.00 C ATOM 30 O LYS A 2 -9.706 0.410 -9.695 1.00 0.00 O ATOM 31 CB LYS A 2 -11.609 0.192 -11.690 1.00 0.00 C ATOM 32 CG LYS A 2 -12.351 -0.557 -12.805 1.00 0.00 C ATOM 33 CD LYS A 2 -11.495 -1.727 -13.307 1.00 0.00 C ATOM 34 CE LYS A 2 -12.154 -2.372 -14.533 1.00 0.00 C ATOM 35 NZ LYS A 2 -12.022 -1.515 -15.726 1.00 0.00 N ATOM 0 H LYS A 2 -13.823 -1.001 -9.893 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.732 -1.584 -10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.962 1.222 -11.638 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.543 0.231 -11.916 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.306 -0.927 -12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.571 0.123 -13.628 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.497 -1.373 -13.565 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.377 -2.467 -12.516 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.696 -3.342 -14.727 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.209 -2.553 -14.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.291 -2.055 -16.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.646 -0.688 -15.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.036 -1.196 -15.817 1.00 0.00 H new ATOM 49 N ARG A 3 -11.070 -0.234 -8.010 1.00 0.00 N ATOM 50 CA ARG A 3 -10.142 0.118 -6.932 1.00 0.00 C ATOM 51 C ARG A 3 -9.512 1.497 -7.182 1.00 0.00 C ATOM 52 O ARG A 3 -8.290 1.649 -7.105 1.00 0.00 O ATOM 53 CB ARG A 3 -9.061 -0.965 -6.830 1.00 0.00 C ATOM 54 CG ARG A 3 -9.686 -2.300 -6.412 1.00 0.00 C ATOM 55 CD ARG A 3 -8.644 -3.418 -6.535 1.00 0.00 C ATOM 56 NE ARG A 3 -7.578 -3.267 -5.523 1.00 0.00 N ATOM 57 CZ ARG A 3 -7.285 -4.189 -4.579 1.00 0.00 C ATOM 58 NH1 ARG A 3 -7.977 -5.333 -4.483 1.00 0.00 N ATOM 59 NH2 ARG A 3 -6.285 -3.950 -3.726 1.00 0.00 N ATOM 0 H ARG A 3 -11.957 -0.616 -7.683 1.00 0.00 H new ATOM 0 HA ARG A 3 -10.687 0.173 -5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.556 -1.076 -7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.304 -0.666 -6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.048 -2.238 -5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.548 -2.522 -7.041 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.129 -4.386 -6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.206 -3.403 -7.533 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.026 -2.409 -5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.742 -5.522 -5.130 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.738 -6.015 -3.763 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.755 -3.081 -3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.052 -4.636 -3.008 1.00 0.00 H new ATOM 73 N GLN A 4 -10.352 2.498 -7.482 1.00 0.00 N ATOM 74 CA GLN A 4 -9.887 3.855 -7.744 1.00 0.00 C ATOM 75 C GLN A 4 -9.066 4.371 -6.561 1.00 0.00 C ATOM 76 O GLN A 4 -7.849 4.516 -6.668 1.00 0.00 O ATOM 77 CB GLN A 4 -11.099 4.762 -7.999 1.00 0.00 C ATOM 78 CG GLN A 4 -11.470 4.727 -9.484 1.00 0.00 C ATOM 79 CD GLN A 4 -12.933 5.114 -9.695 1.00 0.00 C ATOM 80 OE1 GLN A 4 -13.831 4.534 -9.082 1.00 0.00 O ATOM 81 NE2 GLN A 4 -13.174 6.096 -10.565 1.00 0.00 N ATOM 0 H GLN A 4 -11.364 2.385 -7.548 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.246 3.858 -8.626 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.945 4.432 -7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.870 5.784 -7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.826 5.410 -10.039 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.294 3.728 -9.883 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.400 6.549 -11.050 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.133 6.394 -10.745 1.00 0.00 H new ATOM 90 N ALA A 5 -9.738 4.649 -5.438 1.00 0.00 N ATOM 91 CA ALA A 5 -9.078 5.162 -4.247 1.00 0.00 C ATOM 92 C ALA A 5 -8.503 4.009 -3.424 1.00 0.00 C ATOM 93 O ALA A 5 -8.674 2.840 -3.775 1.00 0.00 O ATOM 94 CB ALA A 5 -10.086 5.964 -3.423 1.00 0.00 C ATOM 0 H ALA A 5 -10.745 4.524 -5.336 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.254 5.814 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.598 6.352 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -10.464 6.795 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.915 5.318 -3.133 1.00 0.00 H new ATOM 100 N TRP A 6 -7.823 4.347 -2.322 1.00 0.00 N ATOM 101 CA TRP A 6 -7.231 3.358 -1.438 1.00 0.00 C ATOM 102 C TRP A 6 -8.318 2.743 -0.563 1.00 0.00 C ATOM 103 O TRP A 6 -8.578 3.223 0.540 1.00 0.00 O ATOM 104 CB TRP A 6 -6.153 4.026 -0.581 1.00 0.00 C ATOM 105 CG TRP A 6 -4.942 4.466 -1.343 1.00 0.00 C ATOM 106 CD1 TRP A 6 -4.795 5.647 -1.968 1.00 0.00 C ATOM 107 CD2 TRP A 6 -3.696 3.745 -1.580 1.00 0.00 C ATOM 108 NE1 TRP A 6 -3.569 5.731 -2.579 1.00 0.00 N ATOM 109 CE2 TRP A 6 -2.839 4.575 -2.373 1.00 0.00 C ATOM 110 CE3 TRP A 6 -3.193 2.476 -1.211 1.00 0.00 C ATOM 111 CZ2 TRP A 6 -1.567 4.166 -2.775 1.00 0.00 C ATOM 112 CZ3 TRP A 6 -1.907 2.060 -1.619 1.00 0.00 C ATOM 113 CH2 TRP A 6 -1.099 2.905 -2.400 1.00 0.00 C ATOM 0 H TRP A 6 -7.673 5.312 -2.026 1.00 0.00 H new ATOM 0 HA TRP A 6 -6.768 2.563 -2.023 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.588 4.892 -0.082 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.844 3.331 0.199 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -5.542 6.426 -1.987 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -3.241 6.536 -3.112 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.801 1.816 -0.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -0.949 4.820 -3.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.541 1.086 -1.329 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.117 2.579 -2.710 1.00 0.00 H new ATOM 124 N LEU A 7 -8.953 1.676 -1.058 1.00 0.00 N ATOM 125 CA LEU A 7 -10.000 0.985 -0.322 1.00 0.00 C ATOM 126 C LEU A 7 -9.409 0.326 0.926 1.00 0.00 C ATOM 127 O LEU A 7 -8.189 0.286 1.099 1.00 0.00 O ATOM 128 CB LEU A 7 -10.658 -0.072 -1.223 1.00 0.00 C ATOM 129 CG LEU A 7 -11.194 0.561 -2.519 1.00 0.00 C ATOM 130 CD1 LEU A 7 -11.952 -0.501 -3.317 1.00 0.00 C ATOM 131 CD2 LEU A 7 -12.142 1.721 -2.194 1.00 0.00 C ATOM 0 H LEU A 7 -8.753 1.274 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.758 1.704 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.933 -0.849 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.474 -0.555 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.356 0.943 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.335 -0.060 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.278 -1.322 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.784 -0.879 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.513 2.158 -3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -12.982 1.351 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.606 2.480 -1.624 1.00 0.00 H new ATOM 143 N TRP A 8 -10.280 -0.197 1.796 1.00 0.00 N ATOM 144 CA TRP A 8 -9.847 -0.849 3.022 1.00 0.00 C ATOM 145 C TRP A 8 -8.869 -1.981 2.697 1.00 0.00 C ATOM 146 O TRP A 8 -7.912 -2.197 3.432 1.00 0.00 O ATOM 147 CB TRP A 8 -11.071 -1.379 3.789 1.00 0.00 C ATOM 148 CG TRP A 8 -11.485 -2.778 3.437 1.00 0.00 C ATOM 149 CD1 TRP A 8 -11.256 -3.870 4.187 1.00 0.00 C ATOM 150 CD2 TRP A 8 -12.191 -3.265 2.254 1.00 0.00 C ATOM 151 NE1 TRP A 8 -11.752 -4.999 3.581 1.00 0.00 N ATOM 152 CE2 TRP A 8 -12.345 -4.684 2.373 1.00 0.00 C ATOM 153 CE3 TRP A 8 -12.716 -2.663 1.087 1.00 0.00 C ATOM 154 CZ2 TRP A 8 -12.981 -5.454 1.395 1.00 0.00 C ATOM 155 CZ3 TRP A 8 -13.358 -3.438 0.097 1.00 0.00 C ATOM 156 CH2 TRP A 8 -13.490 -4.829 0.252 1.00 0.00 C ATOM 0 H TRP A 8 -11.292 -0.178 1.667 1.00 0.00 H new ATOM 0 HA TRP A 8 -9.331 -0.127 3.654 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -10.857 -1.338 4.857 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -11.912 -0.711 3.606 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -10.749 -3.861 5.140 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -11.691 -5.940 3.969 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -12.625 -1.595 0.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -13.079 -6.522 1.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -13.751 -2.958 -0.787 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -13.984 -5.414 -0.510 1.00 0.00 H new ATOM 167 N GLU A 9 -9.116 -2.701 1.593 1.00 0.00 N ATOM 168 CA GLU A 9 -8.262 -3.804 1.185 1.00 0.00 C ATOM 169 C GLU A 9 -6.886 -3.275 0.787 1.00 0.00 C ATOM 170 O GLU A 9 -5.871 -3.810 1.224 1.00 0.00 O ATOM 171 CB GLU A 9 -8.924 -4.558 0.022 1.00 0.00 C ATOM 172 CG GLU A 9 -8.279 -5.944 -0.143 1.00 0.00 C ATOM 173 CD GLU A 9 -7.313 -5.977 -1.323 1.00 0.00 C ATOM 174 OE1 GLU A 9 -6.340 -5.193 -1.294 1.00 0.00 O ATOM 175 OE2 GLU A 9 -7.566 -6.787 -2.241 1.00 0.00 O ATOM 0 H GLU A 9 -9.906 -2.531 0.971 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.130 -4.497 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.992 -4.665 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.818 -3.986 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.747 -6.210 0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.057 -6.693 -0.288 1.00 0.00 H new ATOM 182 N GLU A 10 -6.856 -2.220 -0.041 1.00 0.00 N ATOM 183 CA GLU A 10 -5.606 -1.624 -0.495 1.00 0.00 C ATOM 184 C GLU A 10 -4.723 -1.287 0.710 1.00 0.00 C ATOM 185 O GLU A 10 -3.531 -1.586 0.713 1.00 0.00 O ATOM 186 CB GLU A 10 -5.901 -0.359 -1.314 1.00 0.00 C ATOM 187 CG GLU A 10 -6.666 -0.715 -2.601 1.00 0.00 C ATOM 188 CD GLU A 10 -5.799 -0.507 -3.841 1.00 0.00 C ATOM 189 OE1 GLU A 10 -5.238 0.604 -3.965 1.00 0.00 O ATOM 190 OE2 GLU A 10 -5.717 -1.462 -4.646 1.00 0.00 O ATOM 0 H GLU A 10 -7.692 -1.765 -0.407 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.076 -2.335 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.488 0.339 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.967 0.144 -1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.995 -1.753 -2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.563 -0.100 -2.675 1.00 0.00 H new ATOM 197 N ASP A 11 -5.319 -0.659 1.732 1.00 0.00 N ATOM 198 CA ASP A 11 -4.594 -0.261 2.931 1.00 0.00 C ATOM 199 C ASP A 11 -4.182 -1.482 3.759 1.00 0.00 C ATOM 200 O ASP A 11 -3.029 -1.595 4.162 1.00 0.00 O ATOM 201 CB ASP A 11 -5.479 0.668 3.763 1.00 0.00 C ATOM 202 CG ASP A 11 -4.759 1.098 5.034 1.00 0.00 C ATOM 203 OD1 ASP A 11 -3.811 1.903 4.903 1.00 0.00 O ATOM 204 OD2 ASP A 11 -5.167 0.613 6.114 1.00 0.00 O ATOM 0 H ASP A 11 -6.310 -0.417 1.745 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.684 0.261 2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.747 1.546 3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.409 0.160 4.019 1.00 0.00 H new ATOM 209 N LYS A 12 -5.132 -2.387 4.021 1.00 0.00 N ATOM 210 CA LYS A 12 -4.885 -3.568 4.842 1.00 0.00 C ATOM 211 C LYS A 12 -3.766 -4.422 4.263 1.00 0.00 C ATOM 212 O LYS A 12 -2.856 -4.818 4.988 1.00 0.00 O ATOM 213 CB LYS A 12 -6.176 -4.388 4.943 1.00 0.00 C ATOM 214 CG LYS A 12 -7.140 -3.722 5.931 1.00 0.00 C ATOM 215 CD LYS A 12 -6.801 -4.163 7.357 1.00 0.00 C ATOM 216 CE LYS A 12 -7.521 -5.475 7.682 1.00 0.00 C ATOM 217 NZ LYS A 12 -7.186 -5.944 9.038 1.00 0.00 N ATOM 0 H LYS A 12 -6.087 -2.318 3.670 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.572 -3.243 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.644 -4.468 3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.948 -5.402 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.069 -2.637 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.168 -3.993 5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.724 -4.294 7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.097 -3.390 8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.598 -5.332 7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.244 -6.236 6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.688 -6.834 9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.160 -6.102 9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.473 -5.227 9.734 1.00 0.00 H new ATOM 231 N ASN A 13 -3.828 -4.716 2.969 1.00 0.00 N ATOM 232 CA ASN A 13 -2.813 -5.542 2.337 1.00 0.00 C ATOM 233 C ASN A 13 -1.467 -4.805 2.331 1.00 0.00 C ATOM 234 O ASN A 13 -0.421 -5.444 2.379 1.00 0.00 O ATOM 235 CB ASN A 13 -3.275 -5.967 0.926 1.00 0.00 C ATOM 236 CG ASN A 13 -2.746 -5.055 -0.175 1.00 0.00 C ATOM 237 OD1 ASN A 13 -1.542 -4.954 -0.372 1.00 0.00 O ATOM 238 ND2 ASN A 13 -3.652 -4.405 -0.902 1.00 0.00 N ATOM 0 H ASN A 13 -4.567 -4.396 2.343 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.670 -6.459 2.909 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.945 -6.988 0.734 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.364 -5.973 0.893 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.353 -3.792 -1.660 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.645 -4.520 -0.701 1.00 0.00 H new ATOM 245 N LEU A 14 -1.489 -3.461 2.287 1.00 0.00 N ATOM 246 CA LEU A 14 -0.261 -2.673 2.304 1.00 0.00 C ATOM 247 C LEU A 14 0.422 -2.816 3.663 1.00 0.00 C ATOM 248 O LEU A 14 1.553 -3.289 3.745 1.00 0.00 O ATOM 249 CB LEU A 14 -0.583 -1.196 2.016 1.00 0.00 C ATOM 250 CG LEU A 14 0.706 -0.356 1.993 1.00 0.00 C ATOM 251 CD1 LEU A 14 1.590 -0.785 0.820 1.00 0.00 C ATOM 252 CD2 LEU A 14 0.343 1.121 1.839 1.00 0.00 C ATOM 0 H LEU A 14 -2.344 -2.907 2.240 1.00 0.00 H new ATOM 0 HA LEU A 14 0.415 -3.038 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.097 -1.110 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.261 -0.811 2.777 1.00 0.00 H new ATOM 0 HG LEU A 14 1.250 -0.509 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.500 -0.185 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.851 -1.838 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.050 -0.638 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.254 1.720 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.204 1.266 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.280 1.432 2.678 1.00 0.00 H new ATOM 264 N ARG A 15 -0.269 -2.398 4.732 1.00 0.00 N ATOM 265 CA ARG A 15 0.285 -2.446 6.080 1.00 0.00 C ATOM 266 C ARG A 15 0.597 -3.889 6.494 1.00 0.00 C ATOM 267 O ARG A 15 1.556 -4.122 7.229 1.00 0.00 O ATOM 268 CB ARG A 15 -0.680 -1.764 7.069 1.00 0.00 C ATOM 269 CG ARG A 15 -2.047 -2.453 7.083 1.00 0.00 C ATOM 270 CD ARG A 15 -3.123 -1.446 7.502 1.00 0.00 C ATOM 271 NE ARG A 15 -2.902 -0.960 8.868 1.00 0.00 N ATOM 272 CZ ARG A 15 -3.724 -0.084 9.475 1.00 0.00 C ATOM 273 NH1 ARG A 15 -4.747 0.462 8.802 1.00 0.00 N ATOM 274 NH2 ARG A 15 -3.517 0.245 10.757 1.00 0.00 N ATOM 0 H ARG A 15 -1.216 -2.022 4.682 1.00 0.00 H new ATOM 0 HA ARG A 15 1.228 -1.899 6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.251 -1.784 8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.802 -0.716 6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.274 -2.854 6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.034 -3.296 7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.123 -0.603 6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.106 -1.913 7.435 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.089 -1.301 9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.905 0.214 7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.367 1.125 9.267 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.738 -0.168 11.270 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.138 0.909 11.220 1.00 0.00 H new ATOM 288 N SER A 16 -0.202 -4.856 6.020 1.00 0.00 N ATOM 289 CA SER A 16 0.014 -6.264 6.342 1.00 0.00 C ATOM 290 C SER A 16 0.899 -6.932 5.276 1.00 0.00 C ATOM 291 O SER A 16 1.023 -8.155 5.259 1.00 0.00 O ATOM 292 CB SER A 16 -1.343 -6.969 6.439 1.00 0.00 C ATOM 293 OG SER A 16 -1.197 -8.187 7.139 1.00 0.00 O ATOM 0 H SER A 16 -1.003 -4.683 5.412 1.00 0.00 H new ATOM 0 HA SER A 16 0.530 -6.342 7.299 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.061 -6.328 6.951 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.738 -7.157 5.441 1.00 0.00 H new ATOM 0 HG SER A 16 -2.066 -8.635 7.201 1.00 0.00 H new ATOM 299 N GLY A 17 1.512 -6.129 4.389 1.00 0.00 N ATOM 300 CA GLY A 17 2.372 -6.643 3.329 1.00 0.00 C ATOM 301 C GLY A 17 3.799 -6.153 3.529 1.00 0.00 C ATOM 302 O GLY A 17 4.729 -6.949 3.556 1.00 0.00 O ATOM 0 H GLY A 17 1.421 -5.113 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.350 -7.733 3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.000 -6.317 2.358 1.00 0.00 H new ATOM 306 N VAL A 18 3.969 -4.838 3.669 1.00 0.00 N ATOM 307 CA VAL A 18 5.282 -4.241 3.860 1.00 0.00 C ATOM 308 C VAL A 18 5.962 -4.841 5.091 1.00 0.00 C ATOM 309 O VAL A 18 7.157 -5.124 5.062 1.00 0.00 O ATOM 310 CB VAL A 18 5.128 -2.724 4.013 1.00 0.00 C ATOM 311 CG1 VAL A 18 6.475 -2.109 4.394 1.00 0.00 C ATOM 312 CG2 VAL A 18 4.652 -2.121 2.690 1.00 0.00 C ATOM 0 H VAL A 18 3.203 -4.164 3.653 1.00 0.00 H new ATOM 0 HA VAL A 18 5.908 -4.451 2.993 1.00 0.00 H new ATOM 0 HB VAL A 18 4.397 -2.513 4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.365 -1.030 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.816 -2.536 5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.206 -2.322 3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.543 -1.042 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.382 -2.334 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.691 -2.557 2.416 1.00 0.00 H new ATOM 322 N ARG A 19 5.196 -5.032 6.169 1.00 0.00 N ATOM 323 CA ARG A 19 5.727 -5.577 7.410 1.00 0.00 C ATOM 324 C ARG A 19 6.071 -7.067 7.251 1.00 0.00 C ATOM 325 O ARG A 19 6.801 -7.618 8.074 1.00 0.00 O ATOM 326 CB ARG A 19 4.691 -5.365 8.520 1.00 0.00 C ATOM 327 CG ARG A 19 5.308 -5.699 9.885 1.00 0.00 C ATOM 328 CD ARG A 19 4.503 -5.024 10.998 1.00 0.00 C ATOM 329 NE ARG A 19 4.694 -3.567 10.976 1.00 0.00 N ATOM 330 CZ ARG A 19 4.134 -2.738 11.875 1.00 0.00 C ATOM 331 NH1 ARG A 19 3.350 -3.227 12.845 1.00 0.00 N ATOM 332 NH2 ARG A 19 4.362 -1.420 11.800 1.00 0.00 N ATOM 0 H ARG A 19 4.200 -4.814 6.201 1.00 0.00 H new ATOM 0 HA ARG A 19 6.651 -5.061 7.672 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.343 -4.332 8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.820 -5.996 8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.319 -6.779 10.035 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.344 -5.362 9.918 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.445 -5.258 10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.810 -5.420 11.966 1.00 0.00 H new ATOM 0 HE ARG A 19 5.279 -3.165 10.244 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.176 -4.230 12.903 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.927 -2.596 13.525 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.959 -1.047 11.062 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.938 -0.790 12.481 1.00 0.00 H new ATOM 346 N LYS A 20 5.547 -7.716 6.200 1.00 0.00 N ATOM 347 CA LYS A 20 5.796 -9.133 5.955 1.00 0.00 C ATOM 348 C LYS A 20 6.984 -9.295 5.004 1.00 0.00 C ATOM 349 O LYS A 20 7.993 -9.891 5.372 1.00 0.00 O ATOM 350 CB LYS A 20 4.535 -9.781 5.361 1.00 0.00 C ATOM 351 CG LYS A 20 3.610 -10.282 6.479 1.00 0.00 C ATOM 352 CD LYS A 20 3.217 -9.124 7.407 1.00 0.00 C ATOM 353 CE LYS A 20 1.954 -9.491 8.193 1.00 0.00 C ATOM 354 NZ LYS A 20 2.173 -10.688 9.027 1.00 0.00 N ATOM 0 H LYS A 20 4.945 -7.273 5.506 1.00 0.00 H new ATOM 0 HA LYS A 20 6.036 -9.629 6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.006 -9.058 4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.816 -10.612 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.715 -10.729 6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.111 -11.062 7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.033 -8.905 8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.042 -8.221 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.660 -8.653 8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.132 -9.672 7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.366 -10.815 9.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.263 -11.525 8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.044 -10.570 9.582 1.00 0.00 H new ATOM 368 N TYR A 21 6.855 -8.769 3.780 1.00 0.00 N ATOM 369 CA TYR A 21 7.904 -8.875 2.776 1.00 0.00 C ATOM 370 C TYR A 21 9.075 -7.963 3.143 1.00 0.00 C ATOM 371 O TYR A 21 10.167 -8.448 3.431 1.00 0.00 O ATOM 372 CB TYR A 21 7.332 -8.512 1.401 1.00 0.00 C ATOM 373 CG TYR A 21 6.292 -9.500 0.909 1.00 0.00 C ATOM 374 CD1 TYR A 21 6.696 -10.726 0.348 1.00 0.00 C ATOM 375 CD2 TYR A 21 4.923 -9.195 1.014 1.00 0.00 C ATOM 376 CE1 TYR A 21 5.732 -11.643 -0.104 1.00 0.00 C ATOM 377 CE2 TYR A 21 3.961 -10.113 0.561 1.00 0.00 C ATOM 378 CZ TYR A 21 4.364 -11.336 0.003 1.00 0.00 C ATOM 379 OH TYR A 21 3.428 -12.226 -0.435 1.00 0.00 O ATOM 0 H TYR A 21 6.026 -8.264 3.466 1.00 0.00 H new ATOM 0 HA TYR A 21 8.275 -9.899 2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.886 -7.519 1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.146 -8.460 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.747 -10.962 0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.611 -8.254 1.443 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.042 -12.584 -0.534 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.910 -9.877 0.642 1.00 0.00 H new ATOM 0 HH TYR A 21 2.536 -11.919 -0.171 1.00 0.00 H new ATOM 389 N GLY A 22 8.848 -6.643 3.130 1.00 0.00 N ATOM 390 CA GLY A 22 9.887 -5.681 3.467 1.00 0.00 C ATOM 391 C GLY A 22 9.594 -4.328 2.824 1.00 0.00 C ATOM 392 O GLY A 22 8.969 -4.259 1.763 1.00 0.00 O ATOM 0 H GLY A 22 7.950 -6.224 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.950 -5.569 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.855 -6.049 3.128 1.00 0.00 H new ATOM 396 N GLU A 23 10.055 -3.249 3.475 1.00 0.00 N ATOM 397 CA GLU A 23 9.864 -1.894 2.980 1.00 0.00 C ATOM 398 C GLU A 23 10.808 -1.647 1.806 1.00 0.00 C ATOM 399 O GLU A 23 11.897 -1.100 1.975 1.00 0.00 O ATOM 400 CB GLU A 23 10.111 -0.906 4.128 1.00 0.00 C ATOM 401 CG GLU A 23 9.714 0.513 3.698 1.00 0.00 C ATOM 402 CD GLU A 23 9.688 1.468 4.891 1.00 0.00 C ATOM 403 OE1 GLU A 23 9.547 0.966 6.029 1.00 0.00 O ATOM 404 OE2 GLU A 23 9.797 2.689 4.649 1.00 0.00 O ATOM 0 H GLU A 23 10.568 -3.300 4.355 1.00 0.00 H new ATOM 0 HA GLU A 23 8.844 -1.753 2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.535 -1.203 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.162 -0.926 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.419 0.880 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.732 0.491 3.226 1.00 0.00 H new ATOM 411 N GLY A 24 10.381 -2.066 0.612 1.00 0.00 N ATOM 412 CA GLY A 24 11.176 -1.923 -0.594 1.00 0.00 C ATOM 413 C GLY A 24 10.705 -2.917 -1.653 1.00 0.00 C ATOM 414 O GLY A 24 10.844 -2.662 -2.848 1.00 0.00 O ATOM 0 H GLY A 24 9.476 -2.512 0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.092 -0.906 -0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.229 -2.092 -0.367 1.00 0.00 H new ATOM 418 N ASN A 25 10.146 -4.054 -1.208 1.00 0.00 N ATOM 419 CA ASN A 25 9.666 -5.095 -2.110 1.00 0.00 C ATOM 420 C ASN A 25 8.282 -4.725 -2.654 1.00 0.00 C ATOM 421 O ASN A 25 7.349 -5.522 -2.580 1.00 0.00 O ATOM 422 CB ASN A 25 9.613 -6.424 -1.349 1.00 0.00 C ATOM 423 CG ASN A 25 10.970 -6.765 -0.744 1.00 0.00 C ATOM 424 OD1 ASN A 25 11.137 -6.722 0.470 1.00 0.00 O ATOM 425 ND2 ASN A 25 11.938 -7.108 -1.594 1.00 0.00 N ATOM 0 H ASN A 25 10.018 -4.270 -0.219 1.00 0.00 H new ATOM 0 HA ASN A 25 10.345 -5.193 -2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.864 -6.365 -0.559 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.302 -7.221 -2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.864 -7.349 -1.242 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.752 -7.130 -2.597 1.00 0.00 H new ATOM 432 N TRP A 26 8.158 -3.511 -3.201 1.00 0.00 N ATOM 433 CA TRP A 26 6.897 -3.022 -3.738 1.00 0.00 C ATOM 434 C TRP A 26 6.446 -3.898 -4.903 1.00 0.00 C ATOM 435 O TRP A 26 5.283 -4.286 -4.972 1.00 0.00 O ATOM 436 CB TRP A 26 7.076 -1.566 -4.175 1.00 0.00 C ATOM 437 CG TRP A 26 7.684 -0.693 -3.123 1.00 0.00 C ATOM 438 CD1 TRP A 26 8.892 -0.107 -3.190 1.00 0.00 C ATOM 439 CD2 TRP A 26 7.144 -0.317 -1.821 1.00 0.00 C ATOM 440 NE1 TRP A 26 9.160 0.598 -2.042 1.00 0.00 N ATOM 441 CE2 TRP A 26 8.109 0.501 -1.150 1.00 0.00 C ATOM 442 CE3 TRP A 26 5.942 -0.586 -1.128 1.00 0.00 C ATOM 443 CZ2 TRP A 26 7.895 1.012 0.131 1.00 0.00 C ATOM 444 CZ3 TRP A 26 5.719 -0.062 0.163 1.00 0.00 C ATOM 445 CH2 TRP A 26 6.694 0.730 0.792 1.00 0.00 C ATOM 0 H TRP A 26 8.929 -2.847 -3.281 1.00 0.00 H new ATOM 0 HA TRP A 26 6.123 -3.068 -2.972 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.704 -1.538 -5.066 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.105 -1.158 -4.456 1.00 0.00 H new ATOM 0 HD1 TRP A 26 9.562 -0.181 -4.034 1.00 0.00 H new ATOM 0 HE1 TRP A 26 10.018 1.122 -1.871 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.185 -1.200 -1.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.650 1.620 0.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.790 -0.272 0.672 1.00 0.00 H new ATOM 0 HH2 TRP A 26 6.517 1.120 1.783 1.00 0.00 H new ATOM 456 N SER A 27 7.371 -4.212 -5.815 1.00 0.00 N ATOM 457 CA SER A 27 7.074 -5.049 -6.967 1.00 0.00 C ATOM 458 C SER A 27 6.601 -6.426 -6.501 1.00 0.00 C ATOM 459 O SER A 27 5.612 -6.949 -7.012 1.00 0.00 O ATOM 460 CB SER A 27 8.330 -5.168 -7.833 1.00 0.00 C ATOM 461 OG SER A 27 9.435 -5.515 -7.021 1.00 0.00 O ATOM 0 H SER A 27 8.339 -3.893 -5.771 1.00 0.00 H new ATOM 0 HA SER A 27 6.276 -4.600 -7.559 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.182 -5.923 -8.605 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.523 -4.224 -8.343 1.00 0.00 H new ATOM 0 HG SER A 27 10.238 -5.593 -7.577 1.00 0.00 H new ATOM 467 N LYS A 28 7.313 -7.010 -5.528 1.00 0.00 N ATOM 468 CA LYS A 28 6.973 -8.319 -4.997 1.00 0.00 C ATOM 469 C LYS A 28 5.550 -8.300 -4.437 1.00 0.00 C ATOM 470 O LYS A 28 4.755 -9.193 -4.725 1.00 0.00 O ATOM 471 CB LYS A 28 7.982 -8.705 -3.908 1.00 0.00 C ATOM 472 CG LYS A 28 8.136 -10.230 -3.858 1.00 0.00 C ATOM 473 CD LYS A 28 9.261 -10.677 -4.803 1.00 0.00 C ATOM 474 CE LYS A 28 10.623 -10.534 -4.113 1.00 0.00 C ATOM 475 NZ LYS A 28 10.817 -11.579 -3.089 1.00 0.00 N ATOM 0 H LYS A 28 8.133 -6.585 -5.095 1.00 0.00 H new ATOM 0 HA LYS A 28 7.016 -9.061 -5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.946 -8.240 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.646 -8.332 -2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.358 -10.548 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.199 -10.708 -4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.104 -11.713 -5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.241 -10.077 -5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.418 -10.598 -4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.697 -9.550 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.828 -11.656 -2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.284 -11.328 -2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.475 -12.491 -3.454 1.00 0.00 H new ATOM 489 N ILE A 29 5.229 -7.274 -3.637 1.00 0.00 N ATOM 490 CA ILE A 29 3.903 -7.133 -3.055 1.00 0.00 C ATOM 491 C ILE A 29 2.865 -7.027 -4.175 1.00 0.00 C ATOM 492 O ILE A 29 1.818 -7.658 -4.103 1.00 0.00 O ATOM 493 CB ILE A 29 3.871 -5.894 -2.143 1.00 0.00 C ATOM 494 CG1 ILE A 29 4.697 -6.171 -0.876 1.00 0.00 C ATOM 495 CG2 ILE A 29 2.424 -5.577 -1.744 1.00 0.00 C ATOM 496 CD1 ILE A 29 5.094 -4.853 -0.205 1.00 0.00 C ATOM 0 H ILE A 29 5.879 -6.530 -3.382 1.00 0.00 H new ATOM 0 HA ILE A 29 3.664 -8.007 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 29 4.292 -5.044 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.119 -6.781 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.590 -6.740 -1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.409 -4.699 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.835 -5.379 -2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.999 -6.427 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.678 -5.062 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.690 -4.258 -0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.196 -4.299 0.069 1.00 0.00 H new ATOM 508 N LEU A 30 3.165 -6.229 -5.209 1.00 0.00 N ATOM 509 CA LEU A 30 2.266 -6.045 -6.344 1.00 0.00 C ATOM 510 C LEU A 30 1.964 -7.399 -6.999 1.00 0.00 C ATOM 511 O LEU A 30 0.822 -7.681 -7.352 1.00 0.00 O ATOM 512 CB LEU A 30 2.928 -5.089 -7.360 1.00 0.00 C ATOM 513 CG LEU A 30 1.905 -4.129 -8.004 1.00 0.00 C ATOM 514 CD1 LEU A 30 0.702 -4.902 -8.554 1.00 0.00 C ATOM 515 CD2 LEU A 30 1.437 -3.087 -6.981 1.00 0.00 C ATOM 0 H LEU A 30 4.033 -5.698 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 30 1.325 -5.613 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.704 -4.509 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.418 -5.672 -8.140 1.00 0.00 H new ATOM 0 HG LEU A 30 2.394 -3.618 -8.833 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.005 -4.204 -9.003 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.040 -5.612 -9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.214 -5.441 -7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.716 -2.416 -7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.969 -3.592 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.293 -2.511 -6.630 1.00 0.00 H new ATOM 527 N LEU A 31 2.998 -8.232 -7.164 1.00 0.00 N ATOM 528 CA LEU A 31 2.849 -9.535 -7.796 1.00 0.00 C ATOM 529 C LEU A 31 2.005 -10.470 -6.926 1.00 0.00 C ATOM 530 O LEU A 31 1.099 -11.130 -7.433 1.00 0.00 O ATOM 531 CB LEU A 31 4.239 -10.140 -8.039 1.00 0.00 C ATOM 532 CG LEU A 31 4.939 -9.418 -9.201 1.00 0.00 C ATOM 533 CD1 LEU A 31 6.448 -9.651 -9.110 1.00 0.00 C ATOM 534 CD2 LEU A 31 4.423 -9.957 -10.540 1.00 0.00 C ATOM 0 H LEU A 31 3.950 -8.019 -6.865 1.00 0.00 H new ATOM 0 HA LEU A 31 2.334 -9.411 -8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.842 -10.058 -7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.146 -11.202 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 31 4.726 -8.351 -9.138 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.946 -9.139 -9.934 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.820 -9.261 -8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.655 -10.719 -9.168 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.924 -9.440 -11.358 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.629 -11.025 -10.606 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.348 -9.790 -10.610 1.00 0.00 H new ATOM 546 N HIS A 32 2.309 -10.539 -5.625 1.00 0.00 N ATOM 547 CA HIS A 32 1.604 -11.436 -4.716 1.00 0.00 C ATOM 548 C HIS A 32 0.219 -10.890 -4.366 1.00 0.00 C ATOM 549 O HIS A 32 -0.794 -11.463 -4.767 1.00 0.00 O ATOM 550 CB HIS A 32 2.438 -11.633 -3.447 1.00 0.00 C ATOM 551 CG HIS A 32 3.732 -12.356 -3.709 1.00 0.00 C ATOM 552 ND1 HIS A 32 3.790 -13.585 -4.358 1.00 0.00 N ATOM 553 CD2 HIS A 32 5.033 -12.050 -3.416 1.00 0.00 C ATOM 554 CE1 HIS A 32 5.092 -13.932 -4.414 1.00 0.00 C ATOM 555 NE2 HIS A 32 5.906 -13.035 -3.855 1.00 0.00 N ATOM 0 H HIS A 32 3.040 -9.982 -5.182 1.00 0.00 H new ATOM 0 HA HIS A 32 1.465 -12.397 -5.211 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.653 -10.661 -3.004 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.854 -12.194 -2.717 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.343 -11.151 -2.905 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.442 -14.848 -4.868 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.922 -13.066 -3.771 1.00 0.00 H new ATOM 563 N TYR A 33 0.175 -9.794 -3.603 1.00 0.00 N ATOM 564 CA TYR A 33 -1.081 -9.212 -3.155 1.00 0.00 C ATOM 565 C TYR A 33 -1.748 -8.460 -4.302 1.00 0.00 C ATOM 566 O TYR A 33 -1.072 -7.866 -5.139 1.00 0.00 O ATOM 567 CB TYR A 33 -0.817 -8.270 -1.972 1.00 0.00 C ATOM 568 CG TYR A 33 -0.428 -8.965 -0.670 1.00 0.00 C ATOM 569 CD1 TYR A 33 -0.231 -10.366 -0.610 1.00 0.00 C ATOM 570 CD2 TYR A 33 -0.269 -8.195 0.495 1.00 0.00 C ATOM 571 CE1 TYR A 33 0.120 -10.975 0.607 1.00 0.00 C ATOM 572 CE2 TYR A 33 0.078 -8.808 1.709 1.00 0.00 C ATOM 573 CZ TYR A 33 0.275 -10.196 1.765 1.00 0.00 C ATOM 574 OH TYR A 33 0.615 -10.790 2.945 1.00 0.00 O ATOM 0 H TYR A 33 1.004 -9.293 -3.284 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.753 -10.006 -2.830 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.022 -7.578 -2.249 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.712 -7.674 -1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.350 -10.967 -1.500 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.415 -7.126 0.456 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.271 -12.044 0.652 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.194 -8.210 2.601 1.00 0.00 H new ATOM 0 HH TYR A 33 0.683 -10.109 3.646 1.00 0.00 H new ATOM 584 N LYS A 34 -3.084 -8.491 -4.334 1.00 0.00 N ATOM 585 CA LYS A 34 -3.848 -7.823 -5.372 1.00 0.00 C ATOM 586 C LYS A 34 -3.759 -6.314 -5.175 1.00 0.00 C ATOM 587 O LYS A 34 -3.917 -5.822 -4.059 1.00 0.00 O ATOM 588 CB LYS A 34 -5.311 -8.290 -5.322 1.00 0.00 C ATOM 589 CG LYS A 34 -5.400 -9.826 -5.331 1.00 0.00 C ATOM 590 CD LYS A 34 -4.694 -10.397 -6.570 1.00 0.00 C ATOM 591 CE LYS A 34 -4.930 -11.909 -6.658 1.00 0.00 C ATOM 592 NZ LYS A 34 -6.338 -12.218 -6.972 1.00 0.00 N ATOM 0 H LYS A 34 -3.655 -8.978 -3.643 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.438 -8.075 -6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.791 -7.900 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.855 -7.886 -6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.943 -10.228 -4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.445 -10.136 -5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.069 -9.909 -7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.625 -10.190 -6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.283 -12.335 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.656 -12.377 -5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.412 -13.200 -7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.919 -12.098 -6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.677 -11.574 -7.715 1.00 0.00 H new ATOM 606 N PHE A 35 -3.506 -5.582 -6.266 1.00 0.00 N ATOM 607 CA PHE A 35 -3.391 -4.135 -6.216 1.00 0.00 C ATOM 608 C PHE A 35 -3.845 -3.535 -7.539 1.00 0.00 C ATOM 609 O PHE A 35 -3.868 -4.218 -8.562 1.00 0.00 O ATOM 610 CB PHE A 35 -1.934 -3.746 -5.926 1.00 0.00 C ATOM 611 CG PHE A 35 -1.709 -3.236 -4.521 1.00 0.00 C ATOM 612 CD1 PHE A 35 -2.498 -2.186 -4.018 1.00 0.00 C ATOM 613 CD2 PHE A 35 -0.708 -3.807 -3.716 1.00 0.00 C ATOM 614 CE1 PHE A 35 -2.295 -1.717 -2.712 1.00 0.00 C ATOM 615 CE2 PHE A 35 -0.503 -3.331 -2.413 1.00 0.00 C ATOM 616 CZ PHE A 35 -1.300 -2.292 -1.910 1.00 0.00 C ATOM 0 H PHE A 35 -3.378 -5.979 -7.197 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.027 -3.747 -5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.295 -4.613 -6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.624 -2.979 -6.635 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.261 -1.740 -4.638 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.098 -4.611 -4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.905 -0.914 -2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.270 -3.765 -1.796 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.146 -1.934 -0.903 1.00 0.00 H new ATOM 626 N ASN A 36 -4.202 -2.248 -7.503 1.00 0.00 N ATOM 627 CA ASN A 36 -4.642 -1.524 -8.683 1.00 0.00 C ATOM 628 C ASN A 36 -3.464 -0.716 -9.240 1.00 0.00 C ATOM 629 O ASN A 36 -2.321 -1.168 -9.172 1.00 0.00 O ATOM 630 CB ASN A 36 -5.812 -0.623 -8.281 1.00 0.00 C ATOM 631 CG ASN A 36 -6.605 -0.155 -9.497 1.00 0.00 C ATOM 632 OD1 ASN A 36 -6.629 1.037 -9.796 1.00 0.00 O ATOM 633 ND2 ASN A 36 -7.245 -1.088 -10.196 1.00 0.00 N ATOM 0 H ASN A 36 -4.192 -1.685 -6.652 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.979 -2.203 -9.466 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.471 -1.164 -7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.435 0.243 -7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.786 -0.826 -11.020 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.195 -2.065 -9.908 1.00 0.00 H new ATOM 640 N ASN A 37 -3.734 0.479 -9.787 1.00 0.00 N ATOM 641 CA ASN A 37 -2.695 1.334 -10.334 1.00 0.00 C ATOM 642 C ASN A 37 -1.995 2.069 -9.193 1.00 0.00 C ATOM 643 O ASN A 37 -2.084 3.295 -9.091 1.00 0.00 O ATOM 644 CB ASN A 37 -3.322 2.321 -11.324 1.00 0.00 C ATOM 645 CG ASN A 37 -3.943 1.587 -12.508 1.00 0.00 C ATOM 646 OD1 ASN A 37 -5.159 1.436 -12.579 1.00 0.00 O ATOM 647 ND2 ASN A 37 -3.105 1.131 -13.438 1.00 0.00 N ATOM 0 H ASN A 37 -4.674 0.868 -9.858 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.954 0.737 -10.865 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.084 2.914 -10.819 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.562 3.016 -11.681 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.467 0.633 -14.251 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.101 1.280 -13.337 1.00 0.00 H new ATOM 654 N ARG A 38 -1.302 1.313 -8.333 1.00 0.00 N ATOM 655 CA ARG A 38 -0.579 1.872 -7.203 1.00 0.00 C ATOM 656 C ARG A 38 0.920 1.800 -7.494 1.00 0.00 C ATOM 657 O ARG A 38 1.542 0.757 -7.304 1.00 0.00 O ATOM 658 CB ARG A 38 -0.926 1.090 -5.925 1.00 0.00 C ATOM 659 CG ARG A 38 -2.443 1.101 -5.664 1.00 0.00 C ATOM 660 CD ARG A 38 -2.951 2.538 -5.482 1.00 0.00 C ATOM 661 NE ARG A 38 -3.619 3.024 -6.700 1.00 0.00 N ATOM 662 CZ ARG A 38 -4.941 2.883 -6.936 1.00 0.00 C ATOM 663 NH1 ARG A 38 -5.727 2.216 -6.079 1.00 0.00 N ATOM 664 NH2 ARG A 38 -5.474 3.415 -8.041 1.00 0.00 N ATOM 0 H ARG A 38 -1.232 0.298 -8.408 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.864 2.913 -7.051 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.577 0.062 -6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.404 1.528 -5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.964 0.628 -6.497 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.668 0.515 -4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.645 2.578 -4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.116 3.194 -5.236 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.051 3.494 -7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.328 1.806 -5.234 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.724 2.118 -6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.883 3.923 -8.699 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.472 3.313 -8.226 1.00 0.00 H new ATOM 678 N THR A 39 1.493 2.913 -7.962 1.00 0.00 N ATOM 679 CA THR A 39 2.908 2.980 -8.297 1.00 0.00 C ATOM 680 C THR A 39 3.758 2.735 -7.045 1.00 0.00 C ATOM 681 O THR A 39 3.307 2.986 -5.928 1.00 0.00 O ATOM 682 CB THR A 39 3.206 4.357 -8.906 1.00 0.00 C ATOM 683 OG1 THR A 39 2.158 4.717 -9.782 1.00 0.00 O ATOM 684 CG2 THR A 39 4.523 4.316 -9.685 1.00 0.00 C ATOM 0 H THR A 39 0.987 3.785 -8.117 1.00 0.00 H new ATOM 0 HA THR A 39 3.158 2.207 -9.024 1.00 0.00 H new ATOM 0 HB THR A 39 3.289 5.090 -8.104 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.345 5.597 -10.171 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.724 5.298 -10.112 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.335 4.040 -9.012 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.449 3.580 -10.486 1.00 0.00 H new ATOM 692 N SER A 40 4.991 2.245 -7.238 1.00 0.00 N ATOM 693 CA SER A 40 5.903 1.963 -6.134 1.00 0.00 C ATOM 694 C SER A 40 6.070 3.199 -5.249 1.00 0.00 C ATOM 695 O SER A 40 6.039 3.093 -4.026 1.00 0.00 O ATOM 696 CB SER A 40 7.256 1.517 -6.692 1.00 0.00 C ATOM 697 OG SER A 40 7.108 0.286 -7.370 1.00 0.00 O ATOM 0 H SER A 40 5.377 2.036 -8.159 1.00 0.00 H new ATOM 0 HA SER A 40 5.487 1.162 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.647 2.273 -7.372 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.978 1.413 -5.882 1.00 0.00 H new ATOM 0 HG SER A 40 7.975 0.003 -7.728 1.00 0.00 H new ATOM 703 N VAL A 41 6.245 4.373 -5.870 1.00 0.00 N ATOM 704 CA VAL A 41 6.412 5.617 -5.130 1.00 0.00 C ATOM 705 C VAL A 41 5.138 5.930 -4.336 1.00 0.00 C ATOM 706 O VAL A 41 5.215 6.468 -3.234 1.00 0.00 O ATOM 707 CB VAL A 41 6.770 6.754 -6.107 1.00 0.00 C ATOM 708 CG1 VAL A 41 5.586 7.069 -7.030 1.00 0.00 C ATOM 709 CG2 VAL A 41 7.151 8.013 -5.321 1.00 0.00 C ATOM 0 H VAL A 41 6.274 4.481 -6.884 1.00 0.00 H new ATOM 0 HA VAL A 41 7.229 5.516 -4.415 1.00 0.00 H new ATOM 0 HB VAL A 41 7.614 6.431 -6.716 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.860 7.874 -7.711 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.326 6.180 -7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.729 7.377 -6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.403 8.814 -6.016 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.310 8.323 -4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.011 7.799 -4.686 1.00 0.00 H new ATOM 719 N MET A 42 3.969 5.586 -4.893 1.00 0.00 N ATOM 720 CA MET A 42 2.698 5.828 -4.231 1.00 0.00 C ATOM 721 C MET A 42 2.590 4.933 -2.997 1.00 0.00 C ATOM 722 O MET A 42 2.213 5.397 -1.924 1.00 0.00 O ATOM 723 CB MET A 42 1.546 5.559 -5.211 1.00 0.00 C ATOM 724 CG MET A 42 0.433 6.590 -4.996 1.00 0.00 C ATOM 725 SD MET A 42 0.832 8.256 -5.594 1.00 0.00 S ATOM 726 CE MET A 42 0.778 7.956 -7.380 1.00 0.00 C ATOM 0 H MET A 42 3.887 5.137 -5.805 1.00 0.00 H new ATOM 0 HA MET A 42 2.637 6.868 -3.910 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.909 5.611 -6.237 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.156 4.552 -5.061 1.00 0.00 H new ATOM 0 HG2 MET A 42 -0.470 6.243 -5.499 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.204 6.644 -3.932 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.699 8.907 -7.906 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.689 7.444 -7.691 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.086 7.336 -7.619 1.00 0.00 H new ATOM 736 N LEU A 43 2.930 3.646 -3.155 1.00 0.00 N ATOM 737 CA LEU A 43 2.901 2.693 -2.055 1.00 0.00 C ATOM 738 C LEU A 43 3.868 3.151 -0.965 1.00 0.00 C ATOM 739 O LEU A 43 3.540 3.108 0.222 1.00 0.00 O ATOM 740 CB LEU A 43 3.290 1.301 -2.575 1.00 0.00 C ATOM 741 CG LEU A 43 2.190 0.750 -3.498 1.00 0.00 C ATOM 742 CD1 LEU A 43 2.800 -0.238 -4.492 1.00 0.00 C ATOM 743 CD2 LEU A 43 1.129 0.030 -2.665 1.00 0.00 C ATOM 0 H LEU A 43 3.229 3.246 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 43 1.897 2.640 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.234 1.358 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.445 0.622 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 43 1.731 1.578 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.018 -0.627 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.555 0.269 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.262 -1.062 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.352 -0.359 -3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.591 -0.795 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.687 0.729 -1.955 1.00 0.00 H new ATOM 755 N LYS A 44 5.062 3.594 -1.377 1.00 0.00 N ATOM 756 CA LYS A 44 6.078 4.072 -0.455 1.00 0.00 C ATOM 757 C LYS A 44 5.558 5.284 0.318 1.00 0.00 C ATOM 758 O LYS A 44 5.736 5.362 1.529 1.00 0.00 O ATOM 759 CB LYS A 44 7.343 4.425 -1.247 1.00 0.00 C ATOM 760 CG LYS A 44 8.483 4.788 -0.286 1.00 0.00 C ATOM 761 CD LYS A 44 9.725 5.217 -1.079 1.00 0.00 C ATOM 762 CE LYS A 44 10.348 4.006 -1.784 1.00 0.00 C ATOM 763 NZ LYS A 44 11.636 4.359 -2.408 1.00 0.00 N ATOM 0 H LYS A 44 5.342 3.628 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 44 6.319 3.294 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.638 3.581 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.141 5.261 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.168 5.595 0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.723 3.933 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.452 5.974 -1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.454 5.672 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.497 3.200 -1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.663 3.632 -2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.035 3.521 -2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.487 5.112 -3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.296 4.693 -1.677 1.00 0.00 H new ATOM 777 N ASP A 45 4.920 6.229 -0.383 1.00 0.00 N ATOM 778 CA ASP A 45 4.391 7.431 0.244 1.00 0.00 C ATOM 779 C ASP A 45 3.288 7.072 1.242 1.00 0.00 C ATOM 780 O ASP A 45 3.281 7.574 2.366 1.00 0.00 O ATOM 781 CB ASP A 45 3.859 8.375 -0.834 1.00 0.00 C ATOM 782 CG ASP A 45 3.354 9.669 -0.209 1.00 0.00 C ATOM 783 OD1 ASP A 45 4.218 10.450 0.246 1.00 0.00 O ATOM 784 OD2 ASP A 45 2.119 9.849 -0.198 1.00 0.00 O ATOM 0 H ASP A 45 4.761 6.177 -1.389 1.00 0.00 H new ATOM 0 HA ASP A 45 5.189 7.932 0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.647 8.595 -1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.052 7.891 -1.384 1.00 0.00 H new ATOM 789 N ARG A 46 2.355 6.201 0.835 1.00 0.00 N ATOM 790 CA ARG A 46 1.262 5.787 1.704 1.00 0.00 C ATOM 791 C ARG A 46 1.825 5.150 2.971 1.00 0.00 C ATOM 792 O ARG A 46 1.388 5.478 4.077 1.00 0.00 O ATOM 793 CB ARG A 46 0.348 4.790 0.970 1.00 0.00 C ATOM 794 CG ARG A 46 -1.014 5.430 0.641 1.00 0.00 C ATOM 795 CD ARG A 46 -1.702 5.977 1.906 1.00 0.00 C ATOM 796 NE ARG A 46 -1.346 5.207 3.112 1.00 0.00 N ATOM 797 CZ ARG A 46 -2.056 4.155 3.565 1.00 0.00 C ATOM 798 NH1 ARG A 46 -3.067 3.649 2.848 1.00 0.00 N ATOM 799 NH2 ARG A 46 -1.751 3.608 4.742 1.00 0.00 N ATOM 0 H ARG A 46 2.341 5.774 -0.091 1.00 0.00 H new ATOM 0 HA ARG A 46 0.673 6.663 1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.830 4.458 0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.198 3.905 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.873 6.239 -0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.659 4.691 0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.421 7.021 2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.783 5.954 1.768 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.515 5.487 3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.309 4.060 1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.596 2.852 3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.983 3.986 5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.286 2.812 5.088 1.00 0.00 H new ATOM 813 N TRP A 47 2.790 4.238 2.810 1.00 0.00 N ATOM 814 CA TRP A 47 3.398 3.559 3.940 1.00 0.00 C ATOM 815 C TRP A 47 4.165 4.556 4.805 1.00 0.00 C ATOM 816 O TRP A 47 4.125 4.464 6.024 1.00 0.00 O ATOM 817 CB TRP A 47 4.328 2.456 3.440 1.00 0.00 C ATOM 818 CG TRP A 47 5.076 1.751 4.529 1.00 0.00 C ATOM 819 CD1 TRP A 47 6.410 1.721 4.666 1.00 0.00 C ATOM 820 CD2 TRP A 47 4.555 0.981 5.657 1.00 0.00 C ATOM 821 NE1 TRP A 47 6.777 0.997 5.775 1.00 0.00 N ATOM 822 CE2 TRP A 47 5.662 0.513 6.434 1.00 0.00 C ATOM 823 CE3 TRP A 47 3.262 0.628 6.113 1.00 0.00 C ATOM 824 CZ2 TRP A 47 5.498 -0.260 7.586 1.00 0.00 C ATOM 825 CZ3 TRP A 47 3.093 -0.149 7.280 1.00 0.00 C ATOM 826 CH2 TRP A 47 4.208 -0.593 8.011 1.00 0.00 C ATOM 0 H TRP A 47 3.162 3.958 1.902 1.00 0.00 H new ATOM 0 HA TRP A 47 2.615 3.108 4.550 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.742 1.725 2.884 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.045 2.888 2.742 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.104 2.202 3.993 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.740 0.838 6.071 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.394 0.957 5.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 6.359 -0.597 8.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.098 -0.404 7.614 1.00 0.00 H new ATOM 0 HH2 TRP A 47 4.069 -1.191 8.900 1.00 0.00 H new ATOM 837 N ARG A 48 4.863 5.509 4.172 1.00 0.00 N ATOM 838 CA ARG A 48 5.621 6.522 4.893 1.00 0.00 C ATOM 839 C ARG A 48 4.679 7.312 5.798 1.00 0.00 C ATOM 840 O ARG A 48 4.977 7.529 6.973 1.00 0.00 O ATOM 841 CB ARG A 48 6.320 7.446 3.889 1.00 0.00 C ATOM 842 CG ARG A 48 7.138 8.510 4.632 1.00 0.00 C ATOM 843 CD ARG A 48 7.778 9.462 3.620 1.00 0.00 C ATOM 844 NE ARG A 48 8.806 8.777 2.827 1.00 0.00 N ATOM 845 CZ ARG A 48 9.387 9.324 1.746 1.00 0.00 C ATOM 846 NH1 ARG A 48 9.004 10.535 1.315 1.00 0.00 N ATOM 847 NH2 ARG A 48 10.352 8.659 1.101 1.00 0.00 N ATOM 0 H ARG A 48 4.914 5.593 3.157 1.00 0.00 H new ATOM 0 HA ARG A 48 6.381 6.049 5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.973 6.863 3.239 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.580 7.926 3.249 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.496 9.066 5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.909 8.034 5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.011 9.863 2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.222 10.309 4.143 1.00 0.00 H new ATOM 0 HE ARG A 48 9.093 7.840 3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.270 11.043 1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.447 10.948 0.494 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.645 7.739 1.430 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.795 9.072 0.280 1.00 0.00 H new ATOM 861 N THR A 49 3.537 7.735 5.248 1.00 0.00 N ATOM 862 CA THR A 49 2.544 8.474 6.008 1.00 0.00 C ATOM 863 C THR A 49 2.097 7.634 7.203 1.00 0.00 C ATOM 864 O THR A 49 2.006 8.140 8.318 1.00 0.00 O ATOM 865 CB THR A 49 1.358 8.816 5.096 1.00 0.00 C ATOM 866 OG1 THR A 49 1.826 9.495 3.948 1.00 0.00 O ATOM 867 CG2 THR A 49 0.368 9.713 5.843 1.00 0.00 C ATOM 0 H THR A 49 3.283 7.573 4.273 1.00 0.00 H new ATOM 0 HA THR A 49 2.969 9.405 6.382 1.00 0.00 H new ATOM 0 HB THR A 49 0.858 7.894 4.801 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.218 8.850 3.323 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.471 9.952 5.190 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.002 9.193 6.728 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.867 10.634 6.144 1.00 0.00 H new ATOM 875 N MET A 50 1.824 6.344 6.962 1.00 0.00 N ATOM 876 CA MET A 50 1.394 5.432 8.012 1.00 0.00 C ATOM 877 C MET A 50 2.500 5.264 9.058 1.00 0.00 C ATOM 878 O MET A 50 2.217 5.139 10.246 1.00 0.00 O ATOM 879 CB MET A 50 1.026 4.080 7.387 1.00 0.00 C ATOM 880 CG MET A 50 -0.150 3.461 8.144 1.00 0.00 C ATOM 881 SD MET A 50 -1.706 4.367 7.943 1.00 0.00 S ATOM 882 CE MET A 50 -2.809 3.237 8.821 1.00 0.00 C ATOM 0 H MET A 50 1.896 5.914 6.040 1.00 0.00 H new ATOM 0 HA MET A 50 0.518 5.843 8.514 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.765 4.214 6.337 1.00 0.00 H new ATOM 0 HB3 MET A 50 1.884 3.409 7.419 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.291 2.435 7.803 1.00 0.00 H new ATOM 0 HG3 MET A 50 0.097 3.413 9.204 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.634 2.953 8.168 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.256 2.345 9.116 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.203 3.730 9.710 1.00 0.00 H new ATOM 892 N LYS A 51 3.764 5.264 8.610 1.00 0.00 N ATOM 893 CA LYS A 51 4.904 5.128 9.503 1.00 0.00 C ATOM 894 C LYS A 51 4.922 6.307 10.474 1.00 0.00 C ATOM 895 O LYS A 51 5.168 6.131 11.665 1.00 0.00 O ATOM 896 CB LYS A 51 6.198 5.086 8.678 1.00 0.00 C ATOM 897 CG LYS A 51 7.322 4.446 9.501 1.00 0.00 C ATOM 898 CD LYS A 51 8.689 4.991 9.055 1.00 0.00 C ATOM 899 CE LYS A 51 8.891 4.804 7.543 1.00 0.00 C ATOM 900 NZ LYS A 51 8.767 3.390 7.150 1.00 0.00 N ATOM 0 H LYS A 51 4.014 5.358 7.626 1.00 0.00 H new ATOM 0 HA LYS A 51 4.826 4.202 10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.037 4.517 7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.483 6.095 8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.169 4.653 10.560 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.298 3.363 9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.762 6.049 9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.483 4.478 9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.156 5.399 7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.875 5.176 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.992 3.289 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.427 2.815 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.794 3.066 7.321 1.00 0.00 H new ATOM 914 N LYS A 52 4.656 7.511 9.952 1.00 0.00 N ATOM 915 CA LYS A 52 4.620 8.716 10.760 1.00 0.00 C ATOM 916 C LYS A 52 3.445 8.641 11.737 1.00 0.00 C ATOM 917 O LYS A 52 3.616 8.888 12.929 1.00 0.00 O ATOM 918 CB LYS A 52 4.491 9.932 9.837 1.00 0.00 C ATOM 919 CG LYS A 52 4.523 11.223 10.665 1.00 0.00 C ATOM 920 CD LYS A 52 4.530 12.444 9.735 1.00 0.00 C ATOM 921 CE LYS A 52 3.214 12.518 8.951 1.00 0.00 C ATOM 922 NZ LYS A 52 3.090 13.804 8.242 1.00 0.00 N ATOM 0 H LYS A 52 4.462 7.667 8.963 1.00 0.00 H new ATOM 0 HA LYS A 52 5.539 8.811 11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.304 9.936 9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.560 9.874 9.273 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.656 11.263 11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.408 11.235 11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.666 13.354 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.371 12.380 9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.168 11.698 8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.373 12.393 9.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.191 13.827 7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.111 14.583 8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.881 13.910 7.575 1.00 0.00 H new ATOM 936 N LEU A 53 2.253 8.303 11.224 1.00 0.00 N ATOM 937 CA LEU A 53 1.057 8.195 12.043 1.00 0.00 C ATOM 938 C LEU A 53 0.025 7.334 11.318 1.00 0.00 C ATOM 939 O LEU A 53 -0.472 6.383 11.961 1.00 0.00 O ATOM 940 CB LEU A 53 0.504 9.604 12.317 1.00 0.00 C ATOM 941 CG LEU A 53 -0.683 9.539 13.294 1.00 0.00 C ATOM 942 CD1 LEU A 53 -0.184 9.226 14.710 1.00 0.00 C ATOM 943 CD2 LEU A 53 -1.406 10.887 13.299 1.00 0.00 C ATOM 944 OXT LEU A 53 -0.333 7.714 10.182 1.00 0.00 O ATOM 0 H LEU A 53 2.101 8.100 10.236 1.00 0.00 H new ATOM 0 HA LEU A 53 1.293 7.722 12.996 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.290 10.235 12.733 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.187 10.065 11.381 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.366 8.752 12.975 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.032 9.182 15.393 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.332 8.266 14.710 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.503 10.007 15.034 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.248 10.846 13.990 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.715 11.669 13.615 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.770 11.108 12.296 1.00 0.00 H new TER 956 LEU A 53