USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 hydrogens (2 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 53 LYS NZ :NH3+ -125:sc= 0.877 (180deg=-1.39) USER MOD Set 1.2: A 57 GLN : amide:sc= 0.966 K(o=1.8,f=-12!) USER MOD Set 2.1: A 41 THR OG1 : rot 100:sc= 0.287 USER MOD Set 2.2: A 77 GLN : amide:sc= -0.0814 K(o=0.21,f=-0.67) USER MOD Single : A 40 LYS NZ :NH3+ -119:sc= -0.179 (180deg=-1.05) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= -0.0124 (180deg=-0.15) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 58 ASN : amide:sc= 0.0306 K(o=0.031,f=-7.2!) USER MOD Single : A 60 THR OG1 : rot 14:sc= 1.46 USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= 1.21 (180deg=0.45) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0642 USER MOD Single : A 78 CYS SG : rot 99:sc= 0.204 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc=-0.00558 K(o=-0.0056,f=-2!) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.101) USER MOD Single : A 87 ASN : amide:sc= -0.358 K(o=-0.36,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 38 5.665 -10.256 -10.162 1.00 0.00 N ATOM 2 CA LEU A 38 7.038 -9.838 -10.514 1.00 0.00 C ATOM 3 C LEU A 38 7.424 -8.531 -9.804 1.00 0.00 C ATOM 4 O LEU A 38 8.436 -7.921 -10.141 1.00 0.00 O ATOM 5 CB LEU A 38 7.192 -9.702 -12.044 1.00 0.00 C ATOM 6 CG LEU A 38 6.010 -8.933 -12.675 1.00 0.00 C ATOM 7 CD1 LEU A 38 5.988 -7.477 -12.194 1.00 0.00 C ATOM 8 CD2 LEU A 38 6.161 -8.954 -14.197 1.00 0.00 C ATOM 0 HA LEU A 38 7.722 -10.614 -10.170 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.124 -9.185 -12.271 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.261 -10.693 -12.492 1.00 0.00 H new ATOM 0 HG LEU A 38 5.078 -9.413 -12.376 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.147 -6.955 -12.651 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.883 -7.454 -11.109 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.918 -6.986 -12.479 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.331 -8.414 -14.652 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.101 -8.478 -14.476 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.159 -9.986 -14.549 1.00 0.00 H new ATOM 22 N GLY A 39 6.618 -8.102 -8.818 1.00 0.00 N ATOM 23 CA GLY A 39 6.882 -6.873 -8.082 1.00 0.00 C ATOM 24 C GLY A 39 8.183 -6.981 -7.286 1.00 0.00 C ATOM 25 O GLY A 39 8.824 -5.969 -7.013 1.00 0.00 O ATOM 0 H GLY A 39 5.778 -8.596 -8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.945 -6.035 -8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.053 -6.665 -7.405 1.00 0.00 H new ATOM 29 N LYS A 40 8.570 -8.211 -6.913 1.00 0.00 N ATOM 30 CA LYS A 40 9.783 -8.441 -6.141 1.00 0.00 C ATOM 31 C LYS A 40 11.016 -8.309 -7.043 1.00 0.00 C ATOM 32 O LYS A 40 11.665 -9.304 -7.355 1.00 0.00 O ATOM 33 CB LYS A 40 9.716 -9.837 -5.502 1.00 0.00 C ATOM 34 CG LYS A 40 10.789 -9.958 -4.411 1.00 0.00 C ATOM 35 CD LYS A 40 11.040 -11.433 -4.064 1.00 0.00 C ATOM 36 CE LYS A 40 9.743 -12.106 -3.592 1.00 0.00 C ATOM 37 NZ LYS A 40 9.036 -12.754 -4.712 1.00 0.00 N ATOM 0 H LYS A 40 8.052 -9.060 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 40 9.865 -7.694 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.728 -10.005 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.868 -10.603 -6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.716 -9.496 -4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.472 -9.417 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.431 -11.956 -4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.798 -11.505 -3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.973 -12.848 -2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.093 -11.363 -3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.097 -12.322 -4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.583 -12.628 -5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.928 -13.769 -4.514 1.00 0.00 H new ATOM 51 N THR A 41 11.330 -7.070 -7.448 1.00 0.00 N ATOM 52 CA THR A 41 12.489 -6.776 -8.285 1.00 0.00 C ATOM 53 C THR A 41 12.427 -7.567 -9.595 1.00 0.00 C ATOM 54 O THR A 41 12.960 -8.671 -9.690 1.00 0.00 O ATOM 55 CB THR A 41 13.780 -7.087 -7.514 1.00 0.00 C ATOM 56 OG1 THR A 41 13.722 -6.491 -6.234 1.00 0.00 O ATOM 57 CG2 THR A 41 14.979 -6.526 -8.281 1.00 0.00 C ATOM 0 H THR A 41 10.782 -6.246 -7.201 1.00 0.00 H new ATOM 0 HA THR A 41 12.482 -5.716 -8.539 1.00 0.00 H new ATOM 0 HB THR A 41 13.887 -8.167 -7.408 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.471 -7.166 -5.570 1.00 0.00 H new ATOM 0 HG21 THR A 41 15.896 -6.746 -7.734 1.00 0.00 H new ATOM 0 HG22 THR A 41 15.026 -6.985 -9.269 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.870 -5.447 -8.387 1.00 0.00 H new ATOM 65 N ARG A 42 11.780 -6.991 -10.610 1.00 0.00 N ATOM 66 CA ARG A 42 11.664 -7.630 -11.909 1.00 0.00 C ATOM 67 C ARG A 42 13.049 -7.752 -12.556 1.00 0.00 C ATOM 68 O ARG A 42 13.875 -6.840 -12.444 1.00 0.00 O ATOM 69 CB ARG A 42 10.719 -6.805 -12.788 1.00 0.00 C ATOM 70 CG ARG A 42 10.421 -7.560 -14.086 1.00 0.00 C ATOM 71 CD ARG A 42 9.442 -6.750 -14.935 1.00 0.00 C ATOM 72 NE ARG A 42 9.103 -7.471 -16.168 1.00 0.00 N ATOM 73 CZ ARG A 42 8.141 -7.066 -17.014 1.00 0.00 C ATOM 74 NH1 ARG A 42 7.444 -5.950 -16.758 1.00 0.00 N ATOM 75 NH2 ARG A 42 7.878 -7.781 -18.115 1.00 0.00 N ATOM 0 H ARG A 42 11.328 -6.078 -10.550 1.00 0.00 H new ATOM 0 HA ARG A 42 11.255 -8.634 -11.796 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.791 -6.606 -12.252 1.00 0.00 H new ATOM 0 HB3 ARG A 42 11.170 -5.839 -13.015 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.344 -7.730 -14.640 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.999 -8.539 -13.861 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.535 -6.551 -14.363 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.881 -5.783 -15.182 1.00 0.00 H new ATOM 0 HE ARG A 42 9.622 -8.320 -16.393 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.643 -5.405 -15.919 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.714 -5.645 -17.402 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.407 -8.631 -18.310 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.148 -7.476 -18.759 1.00 0.00 H new ATOM 89 N TRP A 43 13.292 -8.882 -13.235 1.00 0.00 N ATOM 90 CA TRP A 43 14.554 -9.135 -13.918 1.00 0.00 C ATOM 91 C TRP A 43 14.272 -9.656 -15.325 1.00 0.00 C ATOM 92 O TRP A 43 13.959 -10.833 -15.501 1.00 0.00 O ATOM 93 CB TRP A 43 15.377 -10.152 -13.124 1.00 0.00 C ATOM 94 CG TRP A 43 16.260 -9.566 -12.067 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.985 -9.506 -10.753 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.580 -8.961 -12.213 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.017 -8.917 -10.060 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.040 -8.556 -10.918 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.444 -8.714 -13.304 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.281 -7.942 -10.721 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.696 -8.093 -13.112 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.114 -7.710 -11.824 1.00 0.00 C ATOM 0 H TRP A 43 12.616 -9.641 -13.322 1.00 0.00 H new ATOM 0 HA TRP A 43 15.125 -8.209 -13.991 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.695 -10.861 -12.654 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.996 -10.718 -13.820 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.075 -9.872 -10.301 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.027 -8.767 -9.051 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.141 -9.005 -14.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.594 -7.650 -9.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.339 -7.910 -13.960 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.075 -7.238 -11.686 1.00 0.00 H new ATOM 113 N THR A 44 14.386 -8.772 -16.322 1.00 0.00 N ATOM 114 CA THR A 44 14.159 -9.131 -17.714 1.00 0.00 C ATOM 115 C THR A 44 15.478 -9.562 -18.356 1.00 0.00 C ATOM 116 O THR A 44 16.554 -9.245 -17.846 1.00 0.00 O ATOM 117 CB THR A 44 13.567 -7.925 -18.454 1.00 0.00 C ATOM 118 OG1 THR A 44 14.364 -6.784 -18.211 1.00 0.00 O ATOM 119 CG2 THR A 44 12.142 -7.663 -17.963 1.00 0.00 C ATOM 0 H THR A 44 14.637 -7.794 -16.181 1.00 0.00 H new ATOM 0 HA THR A 44 13.458 -9.963 -17.774 1.00 0.00 H new ATOM 0 HB THR A 44 13.547 -8.136 -19.523 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.986 -6.014 -18.685 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.727 -6.805 -18.492 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.524 -8.541 -18.154 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.158 -7.456 -16.893 1.00 0.00 H new ATOM 127 N ARG A 45 15.387 -10.282 -19.484 1.00 0.00 N ATOM 128 CA ARG A 45 16.562 -10.753 -20.207 1.00 0.00 C ATOM 129 C ARG A 45 17.503 -9.586 -20.505 1.00 0.00 C ATOM 130 O ARG A 45 18.717 -9.725 -20.385 1.00 0.00 O ATOM 131 CB ARG A 45 16.115 -11.430 -21.508 1.00 0.00 C ATOM 132 CG ARG A 45 17.344 -11.864 -22.315 1.00 0.00 C ATOM 133 CD ARG A 45 16.900 -12.633 -23.561 1.00 0.00 C ATOM 134 NE ARG A 45 18.041 -12.887 -24.452 1.00 0.00 N ATOM 135 CZ ARG A 45 18.952 -13.853 -24.231 1.00 0.00 C ATOM 136 NH1 ARG A 45 18.844 -14.655 -23.162 1.00 0.00 N ATOM 137 NH2 ARG A 45 19.973 -14.011 -25.083 1.00 0.00 N ATOM 0 H ARG A 45 14.501 -10.549 -19.912 1.00 0.00 H new ATOM 0 HA ARG A 45 17.101 -11.475 -19.594 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.492 -12.296 -21.283 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.506 -10.743 -22.096 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.928 -10.990 -22.604 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.991 -12.490 -21.701 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.445 -13.579 -23.267 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.137 -12.064 -24.093 1.00 0.00 H new ATOM 0 HE ARG A 45 18.148 -12.301 -25.280 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.068 -14.535 -22.511 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.538 -15.385 -23.000 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.058 -13.401 -25.896 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.666 -14.742 -24.919 1.00 0.00 H new ATOM 151 N GLU A 46 16.931 -8.441 -20.897 1.00 0.00 N ATOM 152 CA GLU A 46 17.700 -7.249 -21.229 1.00 0.00 C ATOM 153 C GLU A 46 18.645 -6.872 -20.082 1.00 0.00 C ATOM 154 O GLU A 46 19.739 -6.364 -20.324 1.00 0.00 O ATOM 155 CB GLU A 46 16.723 -6.103 -21.527 1.00 0.00 C ATOM 156 CG GLU A 46 17.474 -4.908 -22.119 1.00 0.00 C ATOM 157 CD GLU A 46 16.504 -3.794 -22.496 1.00 0.00 C ATOM 158 OE1 GLU A 46 15.876 -3.250 -21.562 1.00 0.00 O ATOM 159 OE2 GLU A 46 16.407 -3.510 -23.709 1.00 0.00 O ATOM 0 H GLU A 46 15.922 -8.321 -20.991 1.00 0.00 H new ATOM 0 HA GLU A 46 18.315 -7.445 -22.107 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.956 -6.441 -22.224 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.212 -5.804 -20.612 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.201 -4.535 -21.397 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.033 -5.224 -23.000 1.00 0.00 H new ATOM 166 N GLU A 47 18.222 -7.115 -18.834 1.00 0.00 N ATOM 167 CA GLU A 47 19.026 -6.775 -17.670 1.00 0.00 C ATOM 168 C GLU A 47 19.953 -7.948 -17.323 1.00 0.00 C ATOM 169 O GLU A 47 21.086 -7.739 -16.888 1.00 0.00 O ATOM 170 CB GLU A 47 18.094 -6.448 -16.492 1.00 0.00 C ATOM 171 CG GLU A 47 18.293 -4.990 -16.062 1.00 0.00 C ATOM 172 CD GLU A 47 19.672 -4.776 -15.467 1.00 0.00 C ATOM 173 OE1 GLU A 47 19.892 -5.302 -14.359 1.00 0.00 O ATOM 174 OE2 GLU A 47 20.477 -4.090 -16.129 1.00 0.00 O ATOM 0 H GLU A 47 17.325 -7.547 -18.613 1.00 0.00 H new ATOM 0 HA GLU A 47 19.643 -5.902 -17.884 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.056 -6.613 -16.781 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.302 -7.115 -15.656 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.159 -4.333 -16.922 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.532 -4.717 -15.331 1.00 0.00 H new ATOM 181 N ASP A 48 19.469 -9.184 -17.517 1.00 0.00 N ATOM 182 CA ASP A 48 20.249 -10.380 -17.218 1.00 0.00 C ATOM 183 C ASP A 48 21.515 -10.424 -18.073 1.00 0.00 C ATOM 184 O ASP A 48 22.594 -10.707 -17.559 1.00 0.00 O ATOM 185 CB ASP A 48 19.399 -11.631 -17.469 1.00 0.00 C ATOM 186 CG ASP A 48 18.255 -11.739 -16.468 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.490 -11.398 -15.291 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.162 -12.169 -16.894 1.00 0.00 O ATOM 0 H ASP A 48 18.536 -9.375 -17.882 1.00 0.00 H new ATOM 0 HA ASP A 48 20.544 -10.352 -16.169 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.996 -11.601 -18.481 1.00 0.00 H new ATOM 0 HB3 ASP A 48 20.028 -12.519 -17.402 1.00 0.00 H new ATOM 193 N GLU A 49 21.390 -10.153 -19.379 1.00 0.00 N ATOM 194 CA GLU A 49 22.538 -10.188 -20.276 1.00 0.00 C ATOM 195 C GLU A 49 23.561 -9.123 -19.868 1.00 0.00 C ATOM 196 O GLU A 49 24.763 -9.353 -19.983 1.00 0.00 O ATOM 197 CB GLU A 49 22.081 -10.017 -21.733 1.00 0.00 C ATOM 198 CG GLU A 49 21.483 -8.627 -21.962 1.00 0.00 C ATOM 199 CD GLU A 49 20.857 -8.533 -23.349 1.00 0.00 C ATOM 200 OE1 GLU A 49 19.952 -9.354 -23.621 1.00 0.00 O ATOM 201 OE2 GLU A 49 21.297 -7.646 -24.111 1.00 0.00 O ATOM 0 H GLU A 49 20.508 -9.909 -19.830 1.00 0.00 H new ATOM 0 HA GLU A 49 23.026 -11.159 -20.198 1.00 0.00 H new ATOM 0 HB2 GLU A 49 22.927 -10.167 -22.403 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.341 -10.780 -21.978 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.729 -8.420 -21.202 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.259 -7.869 -21.856 1.00 0.00 H new ATOM 208 N LYS A 50 23.092 -7.964 -19.379 1.00 0.00 N ATOM 209 CA LYS A 50 23.988 -6.908 -18.924 1.00 0.00 C ATOM 210 C LYS A 50 24.768 -7.405 -17.709 1.00 0.00 C ATOM 211 O LYS A 50 25.990 -7.271 -17.656 1.00 0.00 O ATOM 212 CB LYS A 50 23.186 -5.650 -18.569 1.00 0.00 C ATOM 213 CG LYS A 50 22.760 -4.922 -19.849 1.00 0.00 C ATOM 214 CD LYS A 50 21.734 -3.823 -19.519 1.00 0.00 C ATOM 215 CE LYS A 50 22.273 -2.868 -18.443 1.00 0.00 C ATOM 216 NZ LYS A 50 23.572 -2.289 -18.831 1.00 0.00 N ATOM 0 H LYS A 50 22.100 -7.742 -19.292 1.00 0.00 H new ATOM 0 HA LYS A 50 24.686 -6.652 -19.721 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.306 -5.922 -17.985 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.789 -4.988 -17.947 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.632 -4.482 -20.333 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.329 -5.633 -20.554 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.495 -3.261 -20.422 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.806 -4.279 -19.173 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.553 -2.067 -18.273 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.380 -3.405 -17.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.808 -1.505 -18.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 24.310 -3.020 -18.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.516 -1.933 -19.807 1.00 0.00 H new ATOM 230 N LEU A 51 24.054 -7.988 -16.738 1.00 0.00 N ATOM 231 CA LEU A 51 24.673 -8.527 -15.537 1.00 0.00 C ATOM 232 C LEU A 51 25.719 -9.575 -15.929 1.00 0.00 C ATOM 233 O LEU A 51 26.848 -9.538 -15.445 1.00 0.00 O ATOM 234 CB LEU A 51 23.578 -9.135 -14.642 1.00 0.00 C ATOM 235 CG LEU A 51 24.190 -9.821 -13.409 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.932 -8.797 -12.549 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.073 -10.455 -12.577 1.00 0.00 C ATOM 0 H LEU A 51 23.040 -8.095 -16.769 1.00 0.00 H new ATOM 0 HA LEU A 51 25.178 -7.738 -14.980 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.889 -8.353 -14.323 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.997 -9.858 -15.214 1.00 0.00 H new ATOM 0 HG LEU A 51 24.891 -10.586 -13.741 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.361 -9.295 -11.679 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.729 -8.339 -13.135 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.236 -8.026 -12.219 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.503 -10.942 -11.702 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.375 -9.682 -12.256 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.544 -11.193 -13.180 1.00 0.00 H new ATOM 249 N LYS A 52 25.335 -10.505 -16.812 1.00 0.00 N ATOM 250 CA LYS A 52 26.224 -11.560 -17.277 1.00 0.00 C ATOM 251 C LYS A 52 27.473 -10.956 -17.920 1.00 0.00 C ATOM 252 O LYS A 52 28.587 -11.384 -17.631 1.00 0.00 O ATOM 253 CB LYS A 52 25.464 -12.442 -18.279 1.00 0.00 C ATOM 254 CG LYS A 52 26.243 -13.739 -18.558 1.00 0.00 C ATOM 255 CD LYS A 52 27.081 -13.598 -19.838 1.00 0.00 C ATOM 256 CE LYS A 52 27.544 -14.982 -20.311 1.00 0.00 C ATOM 257 NZ LYS A 52 28.454 -15.612 -19.336 1.00 0.00 N ATOM 0 H LYS A 52 24.401 -10.542 -17.219 1.00 0.00 H new ATOM 0 HA LYS A 52 26.547 -12.170 -16.434 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.477 -12.682 -17.885 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.311 -11.896 -19.210 1.00 0.00 H new ATOM 0 HG2 LYS A 52 26.893 -13.968 -17.714 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.548 -14.573 -18.661 1.00 0.00 H new ATOM 0 HD2 LYS A 52 26.492 -13.115 -20.618 1.00 0.00 H new ATOM 0 HD3 LYS A 52 27.945 -12.960 -19.650 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.676 -15.623 -20.467 1.00 0.00 H new ATOM 0 HE3 LYS A 52 28.048 -14.889 -21.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 28.747 -16.546 -19.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 29.293 -15.012 -19.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.964 -15.723 -18.425 1.00 0.00 H new ATOM 271 N LYS A 53 27.282 -9.962 -18.797 1.00 0.00 N ATOM 272 CA LYS A 53 28.388 -9.315 -19.489 1.00 0.00 C ATOM 273 C LYS A 53 29.364 -8.702 -18.487 1.00 0.00 C ATOM 274 O LYS A 53 30.576 -8.830 -18.655 1.00 0.00 O ATOM 275 CB LYS A 53 27.842 -8.233 -20.430 1.00 0.00 C ATOM 276 CG LYS A 53 27.465 -8.837 -21.796 1.00 0.00 C ATOM 277 CD LYS A 53 28.712 -9.282 -22.592 1.00 0.00 C ATOM 278 CE LYS A 53 29.738 -8.141 -22.695 1.00 0.00 C ATOM 279 NZ LYS A 53 30.768 -8.245 -21.639 1.00 0.00 N ATOM 0 H LYS A 53 26.363 -9.591 -19.040 1.00 0.00 H new ATOM 0 HA LYS A 53 28.925 -10.062 -20.073 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.967 -7.762 -19.981 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.590 -7.452 -20.566 1.00 0.00 H new ATOM 0 HG2 LYS A 53 26.806 -9.692 -21.646 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.907 -8.102 -22.376 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.169 -10.144 -22.106 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.415 -9.600 -23.591 1.00 0.00 H new ATOM 0 HE2 LYS A 53 30.215 -8.166 -23.675 1.00 0.00 H new ATOM 0 HE3 LYS A 53 29.227 -7.182 -22.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 30.806 -7.355 -21.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 30.528 -9.027 -20.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 31.695 -8.427 -22.075 1.00 0.00 H new ATOM 293 N LEU A 54 28.843 -8.036 -17.453 1.00 0.00 N ATOM 294 CA LEU A 54 29.686 -7.417 -16.442 1.00 0.00 C ATOM 295 C LEU A 54 30.451 -8.499 -15.686 1.00 0.00 C ATOM 296 O LEU A 54 31.666 -8.404 -15.538 1.00 0.00 O ATOM 297 CB LEU A 54 28.824 -6.585 -15.486 1.00 0.00 C ATOM 298 CG LEU A 54 28.347 -5.303 -16.186 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.134 -4.742 -15.444 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.468 -4.257 -16.187 1.00 0.00 C ATOM 0 H LEU A 54 27.842 -7.915 -17.299 1.00 0.00 H new ATOM 0 HA LEU A 54 30.406 -6.752 -16.919 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.965 -7.170 -15.156 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.398 -6.330 -14.595 1.00 0.00 H new ATOM 0 HG LEU A 54 28.076 -5.538 -17.215 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.794 -3.832 -15.939 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.332 -5.480 -15.449 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.411 -4.513 -14.415 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.121 -3.352 -16.685 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.747 -4.022 -15.160 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.335 -4.653 -16.717 1.00 0.00 H new ATOM 312 N VAL A 55 29.736 -9.529 -15.216 1.00 0.00 N ATOM 313 CA VAL A 55 30.350 -10.633 -14.489 1.00 0.00 C ATOM 314 C VAL A 55 31.492 -11.232 -15.317 1.00 0.00 C ATOM 315 O VAL A 55 32.549 -11.548 -14.777 1.00 0.00 O ATOM 316 CB VAL A 55 29.275 -11.691 -14.173 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.933 -13.009 -13.747 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.380 -11.188 -13.036 1.00 0.00 C ATOM 0 H VAL A 55 28.726 -9.615 -15.330 1.00 0.00 H new ATOM 0 HA VAL A 55 30.771 -10.273 -13.550 1.00 0.00 H new ATOM 0 HB VAL A 55 28.679 -11.862 -15.069 1.00 0.00 H new ATOM 0 HG11 VAL A 55 29.161 -13.747 -13.527 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.567 -13.377 -14.554 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.539 -12.842 -12.857 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.620 -11.937 -12.813 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.986 -11.010 -12.148 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.897 -10.259 -13.337 1.00 0.00 H new ATOM 328 N GLU A 56 31.272 -11.381 -16.628 1.00 0.00 N ATOM 329 CA GLU A 56 32.273 -11.931 -17.530 1.00 0.00 C ATOM 330 C GLU A 56 33.539 -11.067 -17.515 1.00 0.00 C ATOM 331 O GLU A 56 34.650 -11.592 -17.540 1.00 0.00 O ATOM 332 CB GLU A 56 31.686 -11.992 -18.947 1.00 0.00 C ATOM 333 CG GLU A 56 32.483 -12.978 -19.806 1.00 0.00 C ATOM 334 CD GLU A 56 32.088 -14.414 -19.491 1.00 0.00 C ATOM 335 OE1 GLU A 56 30.936 -14.770 -19.827 1.00 0.00 O ATOM 336 OE2 GLU A 56 32.938 -15.128 -18.921 1.00 0.00 O ATOM 0 H GLU A 56 30.398 -11.123 -17.085 1.00 0.00 H new ATOM 0 HA GLU A 56 32.545 -12.935 -17.203 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.641 -12.299 -18.903 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.709 -11.001 -19.401 1.00 0.00 H new ATOM 0 HG2 GLU A 56 32.307 -12.771 -20.862 1.00 0.00 H new ATOM 0 HG3 GLU A 56 33.550 -12.842 -19.628 1.00 0.00 H new ATOM 343 N GLN A 57 33.364 -9.740 -17.487 1.00 0.00 N ATOM 344 CA GLN A 57 34.483 -8.808 -17.518 1.00 0.00 C ATOM 345 C GLN A 57 35.255 -8.831 -16.199 1.00 0.00 C ATOM 346 O GLN A 57 36.455 -9.099 -16.195 1.00 0.00 O ATOM 347 CB GLN A 57 33.956 -7.399 -17.816 1.00 0.00 C ATOM 348 CG GLN A 57 33.634 -7.282 -19.309 1.00 0.00 C ATOM 349 CD GLN A 57 32.822 -6.025 -19.606 1.00 0.00 C ATOM 350 OE1 GLN A 57 31.806 -6.092 -20.295 1.00 0.00 O ATOM 351 NE2 GLN A 57 33.270 -4.880 -19.092 1.00 0.00 N ATOM 0 H GLN A 57 32.449 -9.292 -17.443 1.00 0.00 H new ATOM 0 HA GLN A 57 35.175 -9.109 -18.305 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.063 -7.200 -17.223 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.699 -6.653 -17.533 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.561 -7.262 -19.882 1.00 0.00 H new ATOM 0 HG3 GLN A 57 33.078 -8.162 -19.633 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.118 -4.873 -18.526 1.00 0.00 H new ATOM 0 HE22 GLN A 57 32.764 -4.011 -19.265 1.00 0.00 H new ATOM 360 N ASN A 58 34.576 -8.540 -15.082 1.00 0.00 N ATOM 361 CA ASN A 58 35.230 -8.495 -13.773 1.00 0.00 C ATOM 362 C ASN A 58 35.190 -9.876 -13.110 1.00 0.00 C ATOM 363 O ASN A 58 36.186 -10.595 -13.133 1.00 0.00 O ATOM 364 CB ASN A 58 34.585 -7.416 -12.882 1.00 0.00 C ATOM 365 CG ASN A 58 33.101 -7.234 -13.183 1.00 0.00 C ATOM 366 OD1 ASN A 58 32.281 -8.045 -12.774 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.762 -6.164 -13.904 1.00 0.00 N ATOM 0 H ASN A 58 33.577 -8.333 -15.061 1.00 0.00 H new ATOM 0 HA ASN A 58 36.277 -8.223 -13.910 1.00 0.00 H new ATOM 0 HB2 ASN A 58 34.711 -7.689 -11.834 1.00 0.00 H new ATOM 0 HB3 ASN A 58 35.103 -6.468 -13.029 1.00 0.00 H new ATOM 0 HD21 ASN A 58 31.783 -5.995 -14.136 1.00 0.00 H new ATOM 0 HD22 ASN A 58 33.481 -5.515 -14.223 1.00 0.00 H new ATOM 374 N GLY A 59 34.052 -10.246 -12.513 1.00 0.00 N ATOM 375 CA GLY A 59 33.924 -11.528 -11.841 1.00 0.00 C ATOM 376 C GLY A 59 32.617 -11.588 -11.060 1.00 0.00 C ATOM 377 O GLY A 59 31.639 -10.953 -11.436 1.00 0.00 O ATOM 0 H GLY A 59 33.210 -9.670 -12.486 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.955 -12.335 -12.573 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.766 -11.678 -11.166 1.00 0.00 H new ATOM 381 N THR A 60 32.610 -12.362 -9.969 1.00 0.00 N ATOM 382 CA THR A 60 31.427 -12.528 -9.129 1.00 0.00 C ATOM 383 C THR A 60 31.733 -12.083 -7.690 1.00 0.00 C ATOM 384 O THR A 60 30.907 -12.262 -6.801 1.00 0.00 O ATOM 385 CB THR A 60 30.981 -14.004 -9.193 1.00 0.00 C ATOM 386 OG1 THR A 60 29.955 -14.253 -8.262 1.00 0.00 O ATOM 387 CG2 THR A 60 32.156 -14.931 -8.892 1.00 0.00 C ATOM 0 H THR A 60 33.423 -12.888 -9.648 1.00 0.00 H new ATOM 0 HA THR A 60 30.612 -11.902 -9.491 1.00 0.00 H new ATOM 0 HB THR A 60 30.612 -14.197 -10.200 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.591 -13.402 -7.940 1.00 0.00 H new ATOM 0 HG21 THR A 60 31.823 -15.968 -8.941 1.00 0.00 H new ATOM 0 HG22 THR A 60 32.945 -14.768 -9.626 1.00 0.00 H new ATOM 0 HG23 THR A 60 32.539 -14.720 -7.894 1.00 0.00 H new ATOM 395 N ASP A 61 32.919 -11.502 -7.461 1.00 0.00 N ATOM 396 CA ASP A 61 33.305 -11.037 -6.136 1.00 0.00 C ATOM 397 C ASP A 61 32.889 -9.575 -5.949 1.00 0.00 C ATOM 398 O ASP A 61 32.237 -9.233 -4.962 1.00 0.00 O ATOM 399 CB ASP A 61 34.818 -11.197 -5.966 1.00 0.00 C ATOM 400 CG ASP A 61 35.227 -10.932 -4.523 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.185 -11.900 -3.735 1.00 0.00 O ATOM 402 OD2 ASP A 61 35.573 -9.768 -4.236 1.00 0.00 O ATOM 0 H ASP A 61 33.623 -11.346 -8.182 1.00 0.00 H new ATOM 0 HA ASP A 61 32.798 -11.633 -5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.117 -12.204 -6.255 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.339 -10.507 -6.630 1.00 0.00 H new ATOM 407 N ASP A 62 33.279 -8.717 -6.904 1.00 0.00 N ATOM 408 CA ASP A 62 33.001 -7.285 -6.848 1.00 0.00 C ATOM 409 C ASP A 62 31.539 -6.990 -7.206 1.00 0.00 C ATOM 410 O ASP A 62 31.266 -6.298 -8.189 1.00 0.00 O ATOM 411 CB ASP A 62 33.943 -6.563 -7.822 1.00 0.00 C ATOM 412 CG ASP A 62 35.396 -6.950 -7.584 1.00 0.00 C ATOM 413 OD1 ASP A 62 35.802 -7.994 -8.143 1.00 0.00 O ATOM 414 OD2 ASP A 62 36.071 -6.196 -6.851 1.00 0.00 O ATOM 0 H ASP A 62 33.796 -9.003 -7.735 1.00 0.00 H new ATOM 0 HA ASP A 62 33.168 -6.928 -5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 62 33.664 -6.806 -8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.829 -5.485 -7.708 1.00 0.00 H new ATOM 419 N TRP A 63 30.596 -7.503 -6.409 1.00 0.00 N ATOM 420 CA TRP A 63 29.180 -7.281 -6.663 1.00 0.00 C ATOM 421 C TRP A 63 28.838 -5.797 -6.544 1.00 0.00 C ATOM 422 O TRP A 63 28.001 -5.300 -7.291 1.00 0.00 O ATOM 423 CB TRP A 63 28.338 -8.109 -5.691 1.00 0.00 C ATOM 424 CG TRP A 63 28.248 -9.564 -6.023 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.478 -10.577 -5.170 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.898 -10.200 -7.293 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.305 -11.789 -5.790 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.946 -11.617 -7.111 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.541 -9.737 -8.586 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.670 -12.512 -8.141 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.269 -10.648 -9.628 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.345 -12.031 -9.406 1.00 0.00 C ATOM 0 H TRP A 63 30.793 -8.073 -5.586 1.00 0.00 H new ATOM 0 HA TRP A 63 28.953 -7.599 -7.680 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.756 -8.004 -4.690 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.330 -7.694 -5.661 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.761 -10.454 -4.135 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.425 -12.694 -5.336 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.477 -8.675 -8.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.708 -13.576 -7.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 27.000 -10.277 -10.606 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.152 -12.721 -10.214 1.00 0.00 H new ATOM 443 N LYS A 64 29.480 -5.090 -5.607 1.00 0.00 N ATOM 444 CA LYS A 64 29.216 -3.671 -5.406 1.00 0.00 C ATOM 445 C LYS A 64 29.634 -2.878 -6.646 1.00 0.00 C ATOM 446 O LYS A 64 28.964 -1.920 -7.023 1.00 0.00 O ATOM 447 CB LYS A 64 29.955 -3.186 -4.157 1.00 0.00 C ATOM 448 CG LYS A 64 29.477 -1.776 -3.790 1.00 0.00 C ATOM 449 CD LYS A 64 29.913 -1.433 -2.359 1.00 0.00 C ATOM 450 CE LYS A 64 28.720 -1.544 -1.397 1.00 0.00 C ATOM 451 NZ LYS A 64 28.169 -2.913 -1.365 1.00 0.00 N ATOM 0 H LYS A 64 30.183 -5.481 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 64 28.148 -3.513 -5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 64 29.774 -3.869 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.030 -3.181 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 64 29.890 -1.049 -4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.392 -1.717 -3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 64 30.708 -2.108 -2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.321 -0.423 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 64 29.033 -1.254 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 64 27.941 -0.845 -1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 27.630 -3.050 -0.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 27.541 -3.054 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 28.947 -3.602 -1.404 1.00 0.00 H new ATOM 465 N VAL A 65 30.737 -3.279 -7.287 1.00 0.00 N ATOM 466 CA VAL A 65 31.204 -2.612 -8.491 1.00 0.00 C ATOM 467 C VAL A 65 30.223 -2.898 -9.623 1.00 0.00 C ATOM 468 O VAL A 65 29.794 -1.985 -10.320 1.00 0.00 O ATOM 469 CB VAL A 65 32.613 -3.102 -8.849 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.111 -2.372 -10.100 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.568 -2.822 -7.685 1.00 0.00 C ATOM 0 H VAL A 65 31.317 -4.062 -6.987 1.00 0.00 H new ATOM 0 HA VAL A 65 31.255 -1.536 -8.327 1.00 0.00 H new ATOM 0 HB VAL A 65 32.580 -4.174 -9.042 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.112 -2.722 -10.351 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.436 -2.574 -10.932 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.140 -1.299 -9.908 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.568 -3.171 -7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.597 -1.750 -7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.219 -3.345 -6.794 1.00 0.00 H new ATOM 481 N ILE A 66 29.863 -4.174 -9.795 1.00 0.00 N ATOM 482 CA ILE A 66 28.918 -4.585 -10.823 1.00 0.00 C ATOM 483 C ILE A 66 27.609 -3.805 -10.658 1.00 0.00 C ATOM 484 O ILE A 66 27.024 -3.358 -11.642 1.00 0.00 O ATOM 485 CB ILE A 66 28.689 -6.102 -10.709 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.967 -6.838 -11.136 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.526 -6.530 -11.608 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.961 -8.269 -10.604 1.00 0.00 C ATOM 0 H ILE A 66 30.219 -4.942 -9.226 1.00 0.00 H new ATOM 0 HA ILE A 66 29.313 -4.367 -11.815 1.00 0.00 H new ATOM 0 HB ILE A 66 28.445 -6.352 -9.676 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.042 -6.848 -12.223 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.842 -6.308 -10.761 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.374 -7.606 -11.519 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.619 -6.008 -11.302 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.756 -6.281 -12.644 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.874 -8.777 -10.916 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.909 -8.252 -9.515 1.00 0.00 H new ATOM 0 HD13 ILE A 66 29.096 -8.801 -11.001 1.00 0.00 H new ATOM 500 N ALA A 67 27.163 -3.642 -9.406 1.00 0.00 N ATOM 501 CA ALA A 67 25.936 -2.923 -9.098 1.00 0.00 C ATOM 502 C ALA A 67 25.996 -1.488 -9.625 1.00 0.00 C ATOM 503 O ALA A 67 25.010 -0.985 -10.160 1.00 0.00 O ATOM 504 CB ALA A 67 25.727 -2.924 -7.583 1.00 0.00 C ATOM 0 H ALA A 67 27.646 -4.007 -8.585 1.00 0.00 H new ATOM 0 HA ALA A 67 25.098 -3.421 -9.586 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.809 -2.387 -7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.651 -3.951 -7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.572 -2.434 -7.099 1.00 0.00 H new ATOM 510 N ASN A 68 27.150 -0.826 -9.470 1.00 0.00 N ATOM 511 CA ASN A 68 27.313 0.557 -9.912 1.00 0.00 C ATOM 512 C ASN A 68 27.098 0.670 -11.425 1.00 0.00 C ATOM 513 O ASN A 68 26.628 1.700 -11.903 1.00 0.00 O ATOM 514 CB ASN A 68 28.710 1.062 -9.530 1.00 0.00 C ATOM 515 CG ASN A 68 28.920 1.036 -8.017 1.00 0.00 C ATOM 516 OD1 ASN A 68 27.962 1.063 -7.249 1.00 0.00 O ATOM 517 ND2 ASN A 68 30.182 0.984 -7.591 1.00 0.00 N ATOM 0 H ASN A 68 27.983 -1.230 -9.041 1.00 0.00 H new ATOM 0 HA ASN A 68 26.564 1.175 -9.417 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.466 0.444 -10.014 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.844 2.079 -9.900 1.00 0.00 H new ATOM 0 HD21 ASN A 68 30.382 0.965 -6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 68 30.947 0.963 -8.265 1.00 0.00 H new ATOM 524 N TYR A 69 27.441 -0.387 -12.175 1.00 0.00 N ATOM 525 CA TYR A 69 27.290 -0.392 -13.628 1.00 0.00 C ATOM 526 C TYR A 69 25.910 -0.942 -14.028 1.00 0.00 C ATOM 527 O TYR A 69 25.715 -1.335 -15.180 1.00 0.00 O ATOM 528 CB TYR A 69 28.413 -1.241 -14.243 1.00 0.00 C ATOM 529 CG TYR A 69 29.738 -0.510 -14.349 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.478 -0.215 -13.190 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.231 -0.128 -15.610 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.707 0.460 -13.291 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.460 0.547 -15.710 1.00 0.00 C ATOM 534 CZ TYR A 69 32.198 0.840 -14.552 1.00 0.00 C ATOM 535 OH TYR A 69 33.390 1.494 -14.653 1.00 0.00 O ATOM 0 H TYR A 69 27.826 -1.251 -11.793 1.00 0.00 H new ATOM 0 HA TYR A 69 27.361 0.629 -14.004 1.00 0.00 H new ATOM 0 HB2 TYR A 69 28.550 -2.139 -13.640 1.00 0.00 H new ATOM 0 HB3 TYR A 69 28.107 -1.568 -15.237 1.00 0.00 H new ATOM 0 HD1 TYR A 69 30.102 -0.507 -12.221 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.665 -0.353 -16.502 1.00 0.00 H new ATOM 0 HE1 TYR A 69 32.274 0.687 -12.400 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.837 0.841 -16.679 1.00 0.00 H new ATOM 0 HH TYR A 69 33.581 1.682 -15.596 1.00 0.00 H new ATOM 545 N LEU A 70 24.955 -0.971 -13.083 1.00 0.00 N ATOM 546 CA LEU A 70 23.613 -1.483 -13.343 1.00 0.00 C ATOM 547 C LEU A 70 22.569 -0.506 -12.787 1.00 0.00 C ATOM 548 O LEU A 70 22.881 0.282 -11.895 1.00 0.00 O ATOM 549 CB LEU A 70 23.475 -2.860 -12.685 1.00 0.00 C ATOM 550 CG LEU A 70 24.278 -3.914 -13.461 1.00 0.00 C ATOM 551 CD1 LEU A 70 24.365 -5.189 -12.628 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.591 -4.232 -14.792 1.00 0.00 C ATOM 0 H LEU A 70 25.097 -0.642 -12.128 1.00 0.00 H new ATOM 0 HA LEU A 70 23.448 -1.581 -14.416 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.827 -2.813 -11.654 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.424 -3.149 -12.650 1.00 0.00 H new ATOM 0 HG LEU A 70 25.276 -3.524 -13.660 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.934 -5.942 -13.173 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.862 -4.973 -11.682 1.00 0.00 H new ATOM 0 HD13 LEU A 70 23.361 -5.565 -12.432 1.00 0.00 H new ATOM 0 HD21 LEU A 70 24.171 -4.981 -15.331 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.589 -4.617 -14.601 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.522 -3.325 -15.392 1.00 0.00 H new ATOM 564 N PRO A 71 21.322 -0.546 -13.317 1.00 0.00 N ATOM 565 CA PRO A 71 20.256 0.341 -12.887 1.00 0.00 C ATOM 566 C PRO A 71 19.810 0.025 -11.450 1.00 0.00 C ATOM 567 O PRO A 71 18.825 -0.681 -11.238 1.00 0.00 O ATOM 568 CB PRO A 71 19.119 0.133 -13.897 1.00 0.00 C ATOM 569 CG PRO A 71 19.462 -1.133 -14.687 1.00 0.00 C ATOM 570 CD PRO A 71 20.923 -1.459 -14.376 1.00 0.00 C ATOM 0 HA PRO A 71 20.580 1.381 -12.866 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.162 0.024 -13.386 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.029 0.992 -14.562 1.00 0.00 H new ATOM 0 HG2 PRO A 71 18.811 -1.958 -14.398 1.00 0.00 H new ATOM 0 HG3 PRO A 71 19.320 -0.973 -15.756 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.032 -2.496 -14.058 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.548 -1.329 -15.259 1.00 0.00 H new ATOM 578 N ASN A 72 20.542 0.571 -10.469 1.00 0.00 N ATOM 579 CA ASN A 72 20.223 0.422 -9.047 1.00 0.00 C ATOM 580 C ASN A 72 20.127 -1.051 -8.631 1.00 0.00 C ATOM 581 O ASN A 72 19.416 -1.378 -7.681 1.00 0.00 O ATOM 582 CB ASN A 72 18.914 1.157 -8.735 1.00 0.00 C ATOM 583 CG ASN A 72 19.009 2.632 -9.113 1.00 0.00 C ATOM 584 OD1 ASN A 72 19.572 3.429 -8.370 1.00 0.00 O ATOM 585 ND2 ASN A 72 18.456 2.993 -10.272 1.00 0.00 N ATOM 0 H ASN A 72 21.376 1.131 -10.643 1.00 0.00 H new ATOM 0 HA ASN A 72 21.036 0.863 -8.470 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.093 0.691 -9.280 1.00 0.00 H new ATOM 0 HB3 ASN A 72 18.685 1.064 -7.673 1.00 0.00 H new ATOM 0 HD21 ASN A 72 18.491 3.967 -10.572 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.998 2.295 -10.858 1.00 0.00 H new ATOM 592 N ARG A 73 20.848 -1.936 -9.323 1.00 0.00 N ATOM 593 CA ARG A 73 20.862 -3.350 -8.975 1.00 0.00 C ATOM 594 C ARG A 73 21.898 -3.558 -7.878 1.00 0.00 C ATOM 595 O ARG A 73 23.062 -3.803 -8.173 1.00 0.00 O ATOM 596 CB ARG A 73 21.208 -4.198 -10.202 1.00 0.00 C ATOM 597 CG ARG A 73 20.230 -3.932 -11.349 1.00 0.00 C ATOM 598 CD ARG A 73 18.834 -4.453 -10.994 1.00 0.00 C ATOM 599 NE ARG A 73 18.204 -5.064 -12.170 1.00 0.00 N ATOM 600 CZ ARG A 73 16.940 -5.513 -12.181 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.172 -5.403 -11.092 1.00 0.00 N ATOM 602 NH2 ARG A 73 16.442 -6.075 -13.282 1.00 0.00 N ATOM 0 H ARG A 73 21.428 -1.694 -10.126 1.00 0.00 H new ATOM 0 HA ARG A 73 19.877 -3.658 -8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 73 22.224 -3.975 -10.527 1.00 0.00 H new ATOM 0 HB3 ARG A 73 21.183 -5.255 -9.936 1.00 0.00 H new ATOM 0 HG2 ARG A 73 20.184 -2.863 -11.555 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.586 -4.417 -12.258 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.905 -5.185 -10.190 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.216 -3.634 -10.626 1.00 0.00 H new ATOM 0 HE ARG A 73 18.756 -5.152 -13.023 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.546 -4.975 -10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.212 -5.747 -11.108 1.00 0.00 H new ATOM 0 HH21 ARG A 73 17.022 -6.164 -14.116 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.481 -6.416 -13.290 1.00 0.00 H new ATOM 616 N THR A 74 21.476 -3.446 -6.615 1.00 0.00 N ATOM 617 CA THR A 74 22.382 -3.581 -5.479 1.00 0.00 C ATOM 618 C THR A 74 23.155 -4.898 -5.558 1.00 0.00 C ATOM 619 O THR A 74 22.713 -5.849 -6.203 1.00 0.00 O ATOM 620 CB THR A 74 21.585 -3.508 -4.170 1.00 0.00 C ATOM 621 OG1 THR A 74 20.702 -4.605 -4.092 1.00 0.00 O ATOM 622 CG2 THR A 74 20.783 -2.204 -4.114 1.00 0.00 C ATOM 0 H THR A 74 20.507 -3.261 -6.357 1.00 0.00 H new ATOM 0 HA THR A 74 23.102 -2.763 -5.505 1.00 0.00 H new ATOM 0 HB THR A 74 22.280 -3.536 -3.331 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.195 -4.558 -3.255 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.221 -2.162 -3.181 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.465 -1.355 -4.165 1.00 0.00 H new ATOM 0 HG23 THR A 74 20.092 -2.166 -4.956 1.00 0.00 H new ATOM 630 N ASP A 75 24.315 -4.948 -4.892 1.00 0.00 N ATOM 631 CA ASP A 75 25.148 -6.143 -4.870 1.00 0.00 C ATOM 632 C ASP A 75 24.322 -7.350 -4.424 1.00 0.00 C ATOM 633 O ASP A 75 24.460 -8.436 -4.985 1.00 0.00 O ATOM 634 CB ASP A 75 26.350 -5.926 -3.938 1.00 0.00 C ATOM 635 CG ASP A 75 25.985 -5.074 -2.730 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.557 -5.667 -1.721 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.146 -3.836 -2.843 1.00 0.00 O ATOM 0 H ASP A 75 24.695 -4.165 -4.359 1.00 0.00 H new ATOM 0 HA ASP A 75 25.523 -6.339 -5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.727 -6.892 -3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.156 -5.445 -4.491 1.00 0.00 H new ATOM 642 N VAL A 76 23.460 -7.156 -3.420 1.00 0.00 N ATOM 643 CA VAL A 76 22.606 -8.220 -2.914 1.00 0.00 C ATOM 644 C VAL A 76 21.729 -8.767 -4.042 1.00 0.00 C ATOM 645 O VAL A 76 21.617 -9.979 -4.203 1.00 0.00 O ATOM 646 CB VAL A 76 21.738 -7.680 -1.766 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.822 -8.791 -1.242 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.632 -7.184 -0.626 1.00 0.00 C ATOM 0 H VAL A 76 23.340 -6.262 -2.943 1.00 0.00 H new ATOM 0 HA VAL A 76 23.224 -9.033 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 76 21.133 -6.854 -2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.209 -8.403 -0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.177 -9.141 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.428 -9.620 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.011 -6.803 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.243 -8.008 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.280 -6.388 -0.992 1.00 0.00 H new ATOM 658 N GLN A 77 21.103 -7.870 -4.818 1.00 0.00 N ATOM 659 CA GLN A 77 20.212 -8.266 -5.903 1.00 0.00 C ATOM 660 C GLN A 77 20.994 -9.003 -6.986 1.00 0.00 C ATOM 661 O GLN A 77 20.596 -10.083 -7.410 1.00 0.00 O ATOM 662 CB GLN A 77 19.535 -7.022 -6.494 1.00 0.00 C ATOM 663 CG GLN A 77 18.610 -6.372 -5.458 1.00 0.00 C ATOM 664 CD GLN A 77 17.234 -7.030 -5.438 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.071 -8.164 -5.881 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.240 -6.309 -4.923 1.00 0.00 N ATOM 0 H GLN A 77 21.203 -6.861 -4.708 1.00 0.00 H new ATOM 0 HA GLN A 77 19.448 -8.937 -5.510 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.292 -6.306 -6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 77 18.962 -7.298 -7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.063 -6.445 -4.469 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.503 -5.311 -5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.422 -5.371 -4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.297 -6.695 -4.885 1.00 0.00 H new ATOM 675 N CYS A 78 22.104 -8.410 -7.434 1.00 0.00 N ATOM 676 CA CYS A 78 22.933 -8.998 -8.478 1.00 0.00 C ATOM 677 C CYS A 78 23.372 -10.403 -8.077 1.00 0.00 C ATOM 678 O CYS A 78 23.291 -11.333 -8.879 1.00 0.00 O ATOM 679 CB CYS A 78 24.143 -8.098 -8.720 1.00 0.00 C ATOM 680 SG CYS A 78 23.587 -6.619 -9.600 1.00 0.00 S ATOM 0 H CYS A 78 22.447 -7.516 -7.083 1.00 0.00 H new ATOM 0 HA CYS A 78 22.359 -9.079 -9.401 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.607 -7.824 -7.773 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.897 -8.626 -9.304 1.00 0.00 H new ATOM 0 HG CYS A 78 23.440 -5.641 -8.756 1.00 0.00 H new ATOM 686 N GLN A 79 23.833 -10.558 -6.834 1.00 0.00 N ATOM 687 CA GLN A 79 24.270 -11.846 -6.332 1.00 0.00 C ATOM 688 C GLN A 79 23.087 -12.819 -6.295 1.00 0.00 C ATOM 689 O GLN A 79 23.204 -13.955 -6.750 1.00 0.00 O ATOM 690 CB GLN A 79 24.867 -11.659 -4.934 1.00 0.00 C ATOM 691 CG GLN A 79 25.419 -12.990 -4.420 1.00 0.00 C ATOM 692 CD GLN A 79 26.234 -12.784 -3.149 1.00 0.00 C ATOM 693 OE1 GLN A 79 27.435 -13.039 -3.131 1.00 0.00 O ATOM 694 NE2 GLN A 79 25.579 -12.322 -2.084 1.00 0.00 N ATOM 0 H GLN A 79 23.910 -9.797 -6.159 1.00 0.00 H new ATOM 0 HA GLN A 79 25.032 -12.264 -6.990 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.662 -10.914 -4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.105 -11.284 -4.251 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.597 -13.678 -4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.042 -13.450 -5.186 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.580 -12.124 -2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.076 -12.166 -1.207 1.00 0.00 H new ATOM 703 N HIS A 80 21.947 -12.365 -5.749 1.00 0.00 N ATOM 704 CA HIS A 80 20.747 -13.191 -5.645 1.00 0.00 C ATOM 705 C HIS A 80 20.157 -13.479 -7.025 1.00 0.00 C ATOM 706 O HIS A 80 19.289 -14.339 -7.148 1.00 0.00 O ATOM 707 CB HIS A 80 19.710 -12.489 -4.764 1.00 0.00 C ATOM 708 CG HIS A 80 19.914 -12.767 -3.299 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.858 -12.847 -2.402 1.00 0.00 N ATOM 710 CD2 HIS A 80 21.036 -13.001 -2.545 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.392 -13.118 -1.196 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.721 -13.225 -1.214 1.00 0.00 N ATOM 0 H HIS A 80 21.838 -11.423 -5.372 1.00 0.00 H new ATOM 0 HA HIS A 80 21.022 -14.143 -5.191 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.760 -11.414 -4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.711 -12.813 -5.056 1.00 0.00 H new ATOM 0 HD2 HIS A 80 22.041 -13.010 -2.940 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.801 -13.237 -0.300 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.352 -13.423 -0.438 1.00 0.00 H new ATOM 720 N ARG A 81 20.616 -12.773 -8.061 1.00 0.00 N ATOM 721 CA ARG A 81 20.142 -13.013 -9.407 1.00 0.00 C ATOM 722 C ARG A 81 21.030 -14.058 -10.075 1.00 0.00 C ATOM 723 O ARG A 81 20.533 -15.068 -10.571 1.00 0.00 O ATOM 724 CB ARG A 81 20.131 -11.699 -10.204 1.00 0.00 C ATOM 725 CG ARG A 81 19.664 -11.947 -11.650 1.00 0.00 C ATOM 726 CD ARG A 81 18.275 -12.600 -11.655 1.00 0.00 C ATOM 727 NE ARG A 81 17.702 -12.619 -13.007 1.00 0.00 N ATOM 728 CZ ARG A 81 16.567 -13.274 -13.311 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.908 -13.954 -12.363 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.090 -13.246 -14.563 1.00 0.00 N ATOM 0 H ARG A 81 21.314 -12.034 -7.984 1.00 0.00 H new ATOM 0 HA ARG A 81 19.121 -13.393 -9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.470 -10.980 -9.721 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.129 -11.261 -10.208 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.632 -11.004 -12.196 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.378 -12.590 -12.165 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.348 -13.619 -11.274 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.612 -12.055 -10.984 1.00 0.00 H new ATOM 0 HE ARG A 81 18.186 -12.113 -13.749 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.267 -13.976 -11.408 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.048 -14.450 -12.596 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.588 -12.728 -15.287 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.229 -13.743 -14.792 1.00 0.00 H new ATOM 744 N TRP A 82 22.349 -13.816 -10.098 1.00 0.00 N ATOM 745 CA TRP A 82 23.267 -14.717 -10.767 1.00 0.00 C ATOM 746 C TRP A 82 23.501 -15.997 -9.959 1.00 0.00 C ATOM 747 O TRP A 82 23.160 -17.081 -10.427 1.00 0.00 O ATOM 748 CB TRP A 82 24.594 -14.025 -11.055 1.00 0.00 C ATOM 749 CG TRP A 82 25.499 -14.873 -11.883 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.474 -15.664 -11.413 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.484 -15.091 -13.325 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.063 -16.371 -12.428 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.490 -16.056 -13.644 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.715 -14.590 -14.400 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.716 -16.501 -14.948 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.940 -15.037 -15.720 1.00 0.00 C ATOM 757 CH2 TRP A 82 25.936 -15.993 -15.991 1.00 0.00 C ATOM 0 H TRP A 82 22.791 -13.007 -9.661 1.00 0.00 H new ATOM 0 HA TRP A 82 22.805 -15.001 -11.713 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.407 -13.083 -11.571 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.087 -13.780 -10.114 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.757 -15.734 -10.373 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.823 -17.040 -12.302 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.946 -13.856 -14.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.486 -17.231 -15.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.343 -14.642 -16.528 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.098 -16.334 -17.003 1.00 0.00 H new ATOM 768 N GLN A 83 24.094 -15.879 -8.756 1.00 0.00 N ATOM 769 CA GLN A 83 24.416 -17.047 -7.926 1.00 0.00 C ATOM 770 C GLN A 83 23.159 -17.570 -7.231 1.00 0.00 C ATOM 771 O GLN A 83 23.172 -17.829 -6.027 1.00 0.00 O ATOM 772 CB GLN A 83 25.482 -16.665 -6.886 1.00 0.00 C ATOM 773 CG GLN A 83 26.787 -16.287 -7.585 1.00 0.00 C ATOM 774 CD GLN A 83 27.901 -16.048 -6.567 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.920 -15.024 -5.890 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.830 -16.998 -6.460 1.00 0.00 N ATOM 0 H GLN A 83 24.358 -14.986 -8.341 1.00 0.00 H new ATOM 0 HA GLN A 83 24.809 -17.838 -8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.129 -15.829 -6.282 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.653 -17.500 -6.206 1.00 0.00 H new ATOM 0 HG2 GLN A 83 27.080 -17.082 -8.271 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.637 -15.388 -8.183 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.775 -17.833 -7.043 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.596 -16.890 -5.795 1.00 0.00 H new ATOM 785 N LYS A 84 22.074 -17.720 -7.989 1.00 0.00 N ATOM 786 CA LYS A 84 20.818 -18.196 -7.450 1.00 0.00 C ATOM 787 C LYS A 84 19.911 -18.697 -8.577 1.00 0.00 C ATOM 788 O LYS A 84 19.122 -19.615 -8.360 1.00 0.00 O ATOM 789 CB LYS A 84 20.146 -17.052 -6.678 1.00 0.00 C ATOM 790 CG LYS A 84 19.949 -17.434 -5.209 1.00 0.00 C ATOM 791 CD LYS A 84 18.799 -18.437 -5.077 1.00 0.00 C ATOM 792 CE LYS A 84 18.559 -18.754 -3.598 1.00 0.00 C ATOM 793 NZ LYS A 84 19.677 -19.529 -3.029 1.00 0.00 N ATOM 0 H LYS A 84 22.049 -17.514 -8.988 1.00 0.00 H new ATOM 0 HA LYS A 84 21.000 -19.031 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.757 -16.152 -6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.182 -16.818 -7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 84 20.867 -17.867 -4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.735 -16.543 -4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 84 17.893 -18.027 -5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.036 -19.351 -5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.436 -17.826 -3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.632 -19.316 -3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.409 -19.888 -2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 19.899 -20.329 -3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 20.513 -18.917 -2.940 1.00 0.00 H new ATOM 807 N VAL A 85 20.011 -18.084 -9.778 1.00 0.00 N ATOM 808 CA VAL A 85 19.153 -18.444 -10.902 1.00 0.00 C ATOM 809 C VAL A 85 19.993 -18.778 -12.140 1.00 0.00 C ATOM 810 O VAL A 85 19.928 -19.900 -12.641 1.00 0.00 O ATOM 811 CB VAL A 85 18.179 -17.287 -11.194 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.121 -17.750 -12.199 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.484 -16.844 -9.899 1.00 0.00 C ATOM 0 H VAL A 85 20.679 -17.341 -9.982 1.00 0.00 H new ATOM 0 HA VAL A 85 18.579 -19.334 -10.643 1.00 0.00 H new ATOM 0 HB VAL A 85 18.740 -16.448 -11.607 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.432 -16.931 -12.405 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.608 -18.056 -13.125 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.569 -18.593 -11.783 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.798 -16.026 -10.116 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.928 -17.682 -9.479 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.232 -16.509 -9.181 1.00 0.00 H new ATOM 823 N LEU A 86 20.773 -17.808 -12.644 1.00 0.00 N ATOM 824 CA LEU A 86 21.579 -18.017 -13.845 1.00 0.00 C ATOM 825 C LEU A 86 22.619 -19.107 -13.593 1.00 0.00 C ATOM 826 O LEU A 86 23.369 -19.045 -12.618 1.00 0.00 O ATOM 827 CB LEU A 86 22.292 -16.716 -14.255 1.00 0.00 C ATOM 828 CG LEU A 86 21.349 -15.723 -14.975 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.634 -16.403 -16.148 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.321 -15.151 -13.998 1.00 0.00 C ATOM 0 H LEU A 86 20.859 -16.877 -12.236 1.00 0.00 H new ATOM 0 HA LEU A 86 20.915 -18.325 -14.653 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.708 -16.238 -13.368 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.130 -16.956 -14.910 1.00 0.00 H new ATOM 0 HG LEU A 86 21.957 -14.906 -15.364 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.977 -15.685 -16.639 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.372 -16.767 -16.863 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.044 -17.241 -15.778 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.667 -14.455 -14.524 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.726 -15.963 -13.580 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.836 -14.627 -13.193 1.00 0.00 H new ATOM 842 N ASN A 87 22.668 -20.107 -14.480 1.00 0.00 N ATOM 843 CA ASN A 87 23.628 -21.189 -14.364 1.00 0.00 C ATOM 844 C ASN A 87 23.780 -21.888 -15.723 1.00 0.00 C ATOM 845 O ASN A 87 23.171 -22.930 -15.956 1.00 0.00 O ATOM 846 CB ASN A 87 23.162 -22.162 -13.262 1.00 0.00 C ATOM 847 CG ASN A 87 24.344 -22.665 -12.446 1.00 0.00 C ATOM 848 OD1 ASN A 87 24.690 -23.840 -12.504 1.00 0.00 O ATOM 849 ND2 ASN A 87 24.964 -21.767 -11.681 1.00 0.00 N ATOM 0 H ASN A 87 22.048 -20.181 -15.286 1.00 0.00 H new ATOM 0 HA ASN A 87 24.607 -20.803 -14.081 1.00 0.00 H new ATOM 0 HB2 ASN A 87 22.449 -21.661 -12.607 1.00 0.00 H new ATOM 0 HB3 ASN A 87 22.641 -23.006 -13.713 1.00 0.00 H new ATOM 0 HD21 ASN A 87 25.762 -22.047 -11.111 1.00 0.00 H new ATOM 0 HD22 ASN A 87 24.640 -20.800 -11.665 1.00 0.00 H new ATOM 856 N PRO A 88 24.593 -21.312 -16.634 1.00 0.00 N ATOM 857 CA PRO A 88 24.813 -21.881 -17.949 1.00 0.00 C ATOM 858 C PRO A 88 25.417 -23.279 -17.825 1.00 0.00 C ATOM 859 O PRO A 88 24.929 -24.226 -18.441 1.00 0.00 O ATOM 860 CB PRO A 88 25.762 -20.917 -18.672 1.00 0.00 C ATOM 861 CG PRO A 88 26.022 -19.744 -17.716 1.00 0.00 C ATOM 862 CD PRO A 88 25.322 -20.080 -16.400 1.00 0.00 C ATOM 0 HA PRO A 88 23.883 -21.995 -18.506 1.00 0.00 H new ATOM 0 HB2 PRO A 88 26.695 -21.417 -18.932 1.00 0.00 H new ATOM 0 HB3 PRO A 88 25.318 -20.565 -19.603 1.00 0.00 H new ATOM 0 HG2 PRO A 88 27.091 -19.603 -17.559 1.00 0.00 H new ATOM 0 HG3 PRO A 88 25.636 -18.814 -18.132 1.00 0.00 H new ATOM 0 HD2 PRO A 88 26.046 -20.203 -15.594 1.00 0.00 H new ATOM 0 HD3 PRO A 88 24.646 -19.278 -16.102 1.00 0.00 H new ATOM 870 N GLU A 89 26.479 -23.400 -17.020 1.00 0.00 N ATOM 871 CA GLU A 89 27.149 -24.668 -16.796 1.00 0.00 C ATOM 872 C GLU A 89 26.289 -25.537 -15.882 1.00 0.00 C ATOM 873 O GLU A 89 26.032 -26.701 -16.182 1.00 0.00 O ATOM 874 CB GLU A 89 28.528 -24.417 -16.162 1.00 0.00 C ATOM 875 CG GLU A 89 29.394 -23.531 -17.076 1.00 0.00 C ATOM 876 CD GLU A 89 29.050 -22.042 -16.947 1.00 0.00 C ATOM 877 OE1 GLU A 89 28.348 -21.690 -15.970 1.00 0.00 O ATOM 878 OE2 GLU A 89 29.498 -21.282 -17.834 1.00 0.00 O ATOM 0 H GLU A 89 26.891 -22.618 -16.511 1.00 0.00 H new ATOM 0 HA GLU A 89 27.291 -25.186 -17.745 1.00 0.00 H new ATOM 0 HB2 GLU A 89 28.405 -23.936 -15.191 1.00 0.00 H new ATOM 0 HB3 GLU A 89 29.031 -25.368 -15.986 1.00 0.00 H new ATOM 0 HG2 GLU A 89 30.446 -23.680 -16.831 1.00 0.00 H new ATOM 0 HG3 GLU A 89 29.261 -23.843 -18.112 1.00 0.00 H new HETATM 885 N NH2 A 90 25.847 -24.966 -14.763 1.00 0.00 N TER 888 NH2 A 90