USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ -132:sc= 0.326 (180deg=-0.334) USER MOD Single : X 2 GLN : amide:sc= -11.5! K(o=-11!,f=-2) USER MOD Single : X 3 TYR OH : rot 180:sc= 0 USER MOD Single : X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 8 ASN : amide:sc= -7.05! K(o=-7!,f=-2.4) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot -19:sc= 1.03 USER MOD Single : X 13 LYS NZ :NH3+ -130:sc= -0.455 (180deg=-1.6) USER MOD Single : X 16 THR OG1 : rot 180:sc= 0 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 180:sc= -0.0085 USER MOD Single : X 25 THR OG1 : rot 138:sc= 1.15 USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 32 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.023) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.00062) USER MOD Single : X 37 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.52 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot 13:sc= -1.76! USER MOD Single : X 50 LYS NZ :NH3+ -155:sc= -0.149 (180deg=-1.27) USER MOD Single : X 51 THR OG1 : rot 6:sc= 1.2 USER MOD Single : X 53 THR OG1 : rot 180:sc= 0 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -14.634 7.346 16.402 1.00 0.00 N ATOM 2 CA MET X 1 -14.413 8.766 16.002 1.00 0.00 C ATOM 3 C MET X 1 -15.331 9.112 14.836 1.00 0.00 C ATOM 4 O MET X 1 -16.555 9.048 14.953 1.00 0.00 O ATOM 5 CB MET X 1 -12.953 8.954 15.583 1.00 0.00 C ATOM 6 CG MET X 1 -12.040 8.769 16.796 1.00 0.00 C ATOM 7 SD MET X 1 -10.716 7.607 16.382 1.00 0.00 S ATOM 8 CE MET X 1 -9.517 8.180 17.612 1.00 0.00 C ATOM 0 H1 MET X 1 -14.748 7.290 17.434 1.00 0.00 H new ATOM 0 H2 MET X 1 -15.492 6.984 15.939 1.00 0.00 H new ATOM 0 H3 MET X 1 -13.816 6.772 16.112 1.00 0.00 H new ATOM 0 HA MET X 1 -14.635 9.423 16.843 1.00 0.00 H new ATOM 0 HB2 MET X 1 -12.692 8.235 14.806 1.00 0.00 H new ATOM 0 HB3 MET X 1 -12.812 9.948 15.158 1.00 0.00 H new ATOM 0 HG2 MET X 1 -11.617 9.728 17.096 1.00 0.00 H new ATOM 0 HG3 MET X 1 -12.615 8.395 17.644 1.00 0.00 H new ATOM 0 HE1 MET X 1 -8.605 7.589 17.534 1.00 0.00 H new ATOM 0 HE2 MET X 1 -9.286 9.230 17.433 1.00 0.00 H new ATOM 0 HE3 MET X 1 -9.938 8.067 18.611 1.00 0.00 H new ATOM 20 N GLN X 2 -14.728 9.479 13.711 1.00 0.00 N ATOM 21 CA GLN X 2 -15.494 9.836 12.524 1.00 0.00 C ATOM 22 C GLN X 2 -15.102 8.947 11.348 1.00 0.00 C ATOM 23 O GLN X 2 -13.921 8.798 11.037 1.00 0.00 O ATOM 24 CB GLN X 2 -15.245 11.303 12.165 1.00 0.00 C ATOM 25 CG GLN X 2 -16.554 12.089 12.266 1.00 0.00 C ATOM 26 CD GLN X 2 -17.437 11.787 11.061 1.00 0.00 C ATOM 27 OE1 GLN X 2 -18.040 12.695 10.489 1.00 0.00 O ATOM 28 NE2 GLN X 2 -17.551 10.558 10.639 1.00 0.00 N ATOM 0 H GLN X 2 -13.716 9.537 13.596 1.00 0.00 H new ATOM 0 HA GLN X 2 -16.553 9.690 12.738 1.00 0.00 H new ATOM 0 HB2 GLN X 2 -14.500 11.730 12.837 1.00 0.00 H new ATOM 0 HB3 GLN X 2 -14.843 11.377 11.155 1.00 0.00 H new ATOM 0 HG2 GLN X 2 -17.076 11.825 13.185 1.00 0.00 H new ATOM 0 HG3 GLN X 2 -16.344 13.157 12.315 1.00 0.00 H new ATOM 0 HE21 GLN X 2 -17.050 9.807 11.114 1.00 0.00 H new ATOM 0 HE22 GLN X 2 -18.141 10.348 9.834 1.00 0.00 H new ATOM 37 N TYR X 3 -16.102 8.361 10.698 1.00 0.00 N ATOM 38 CA TYR X 3 -15.852 7.491 9.557 1.00 0.00 C ATOM 39 C TYR X 3 -16.791 7.841 8.409 1.00 0.00 C ATOM 40 O TYR X 3 -17.778 8.552 8.600 1.00 0.00 O ATOM 41 CB TYR X 3 -16.055 6.029 9.958 1.00 0.00 C ATOM 42 CG TYR X 3 -15.073 5.664 11.047 1.00 0.00 C ATOM 43 CD1 TYR X 3 -13.752 5.340 10.717 1.00 0.00 C ATOM 44 CD2 TYR X 3 -15.485 5.651 12.385 1.00 0.00 C ATOM 45 CE1 TYR X 3 -12.842 5.004 11.726 1.00 0.00 C ATOM 46 CE2 TYR X 3 -14.574 5.314 13.394 1.00 0.00 C ATOM 47 CZ TYR X 3 -13.253 4.991 13.065 1.00 0.00 C ATOM 48 OH TYR X 3 -12.355 4.658 14.059 1.00 0.00 O ATOM 0 H TYR X 3 -17.087 8.472 10.940 1.00 0.00 H new ATOM 0 HA TYR X 3 -14.822 7.635 9.230 1.00 0.00 H new ATOM 0 HB2 TYR X 3 -17.076 5.875 10.308 1.00 0.00 H new ATOM 0 HB3 TYR X 3 -15.913 5.381 9.093 1.00 0.00 H new ATOM 0 HD1 TYR X 3 -13.435 5.349 9.685 1.00 0.00 H new ATOM 0 HD2 TYR X 3 -16.505 5.901 12.639 1.00 0.00 H new ATOM 0 HE1 TYR X 3 -11.822 4.755 11.472 1.00 0.00 H new ATOM 0 HE2 TYR X 3 -14.891 5.303 14.426 1.00 0.00 H new ATOM 0 HH TYR X 3 -12.802 4.699 14.930 1.00 0.00 H new ATOM 58 N LYS X 4 -16.486 7.334 7.221 1.00 0.00 N ATOM 59 CA LYS X 4 -17.319 7.601 6.057 1.00 0.00 C ATOM 60 C LYS X 4 -17.579 6.311 5.298 1.00 0.00 C ATOM 61 O LYS X 4 -16.655 5.548 5.019 1.00 0.00 O ATOM 62 CB LYS X 4 -16.631 8.610 5.134 1.00 0.00 C ATOM 63 CG LYS X 4 -16.052 9.756 5.964 1.00 0.00 C ATOM 64 CD LYS X 4 -15.793 10.962 5.058 1.00 0.00 C ATOM 65 CE LYS X 4 -15.641 12.221 5.914 1.00 0.00 C ATOM 66 NZ LYS X 4 -14.272 12.260 6.501 1.00 0.00 N ATOM 0 H LYS X 4 -15.676 6.741 7.039 1.00 0.00 H new ATOM 0 HA LYS X 4 -18.268 8.018 6.395 1.00 0.00 H new ATOM 0 HB2 LYS X 4 -15.838 8.119 4.570 1.00 0.00 H new ATOM 0 HB3 LYS X 4 -17.345 8.999 4.408 1.00 0.00 H new ATOM 0 HG2 LYS X 4 -16.744 10.028 6.761 1.00 0.00 H new ATOM 0 HG3 LYS X 4 -15.124 9.441 6.442 1.00 0.00 H new ATOM 0 HD2 LYS X 4 -14.891 10.800 4.468 1.00 0.00 H new ATOM 0 HD3 LYS X 4 -16.616 11.085 4.354 1.00 0.00 H new ATOM 0 HE2 LYS X 4 -15.813 13.110 5.307 1.00 0.00 H new ATOM 0 HE3 LYS X 4 -16.389 12.227 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 -14.168 13.116 7.083 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 -14.124 11.418 7.094 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 -13.567 12.273 5.737 1.00 0.00 H new ATOM 80 N LEU X 5 -18.839 6.068 4.960 1.00 0.00 N ATOM 81 CA LEU X 5 -19.187 4.866 4.231 1.00 0.00 C ATOM 82 C LEU X 5 -19.698 5.226 2.848 1.00 0.00 C ATOM 83 O LEU X 5 -20.839 5.660 2.689 1.00 0.00 O ATOM 84 CB LEU X 5 -20.260 4.081 4.993 1.00 0.00 C ATOM 85 CG LEU X 5 -20.675 4.858 6.245 1.00 0.00 C ATOM 86 CD1 LEU X 5 -21.970 4.268 6.804 1.00 0.00 C ATOM 87 CD2 LEU X 5 -19.571 4.751 7.298 1.00 0.00 C ATOM 0 H LEU X 5 -19.624 6.681 5.178 1.00 0.00 H new ATOM 0 HA LEU X 5 -18.296 4.246 4.131 1.00 0.00 H new ATOM 0 HB2 LEU X 5 -21.126 3.914 4.353 1.00 0.00 H new ATOM 0 HB3 LEU X 5 -19.877 3.100 5.272 1.00 0.00 H new ATOM 0 HG LEU X 5 -20.834 5.905 5.988 1.00 0.00 H new ATOM 0 HD11 LEU X 5 -22.266 4.821 7.696 1.00 0.00 H new ATOM 0 HD12 LEU X 5 -22.757 4.341 6.053 1.00 0.00 H new ATOM 0 HD13 LEU X 5 -21.811 3.221 7.062 1.00 0.00 H new ATOM 0 HD21 LEU X 5 -19.865 5.304 8.190 1.00 0.00 H new ATOM 0 HD22 LEU X 5 -19.414 3.704 7.555 1.00 0.00 H new ATOM 0 HD23 LEU X 5 -18.647 5.169 6.900 1.00 0.00 H new ATOM 99 N ILE X 6 -18.853 5.029 1.846 1.00 0.00 N ATOM 100 CA ILE X 6 -19.244 5.325 0.477 1.00 0.00 C ATOM 101 C ILE X 6 -19.587 4.029 -0.233 1.00 0.00 C ATOM 102 O ILE X 6 -18.705 3.249 -0.577 1.00 0.00 O ATOM 103 CB ILE X 6 -18.103 6.027 -0.260 1.00 0.00 C ATOM 104 CG1 ILE X 6 -17.846 7.391 0.382 1.00 0.00 C ATOM 105 CG2 ILE X 6 -18.484 6.217 -1.730 1.00 0.00 C ATOM 106 CD1 ILE X 6 -16.340 7.661 0.416 1.00 0.00 C ATOM 0 H ILE X 6 -17.904 4.670 1.953 1.00 0.00 H new ATOM 0 HA ILE X 6 -20.112 5.984 0.486 1.00 0.00 H new ATOM 0 HB ILE X 6 -17.200 5.419 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE X 6 -18.354 8.173 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE X 6 -18.253 7.412 1.393 1.00 0.00 H new ATOM 0 HG21 ILE X 6 -17.670 6.717 -2.255 1.00 0.00 H new ATOM 0 HG22 ILE X 6 -18.667 5.245 -2.187 1.00 0.00 H new ATOM 0 HG23 ILE X 6 -19.387 6.825 -1.796 1.00 0.00 H new ATOM 0 HD11 ILE X 6 -16.155 8.633 0.873 1.00 0.00 H new ATOM 0 HD12 ILE X 6 -15.844 6.885 0.999 1.00 0.00 H new ATOM 0 HD13 ILE X 6 -15.947 7.658 -0.601 1.00 0.00 H new ATOM 118 N LEU X 7 -20.872 3.798 -0.448 1.00 0.00 N ATOM 119 CA LEU X 7 -21.295 2.578 -1.105 1.00 0.00 C ATOM 120 C LEU X 7 -21.557 2.823 -2.579 1.00 0.00 C ATOM 121 O LEU X 7 -22.561 3.430 -2.950 1.00 0.00 O ATOM 122 CB LEU X 7 -22.564 2.042 -0.440 1.00 0.00 C ATOM 123 CG LEU X 7 -23.509 3.204 -0.130 1.00 0.00 C ATOM 124 CD1 LEU X 7 -24.957 2.755 -0.333 1.00 0.00 C ATOM 125 CD2 LEU X 7 -23.311 3.646 1.322 1.00 0.00 C ATOM 0 H LEU X 7 -21.627 4.429 -0.181 1.00 0.00 H new ATOM 0 HA LEU X 7 -20.496 1.843 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU X 7 -23.056 1.325 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU X 7 -22.310 1.512 0.478 1.00 0.00 H new ATOM 0 HG LEU X 7 -23.292 4.037 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU X 7 -25.629 3.584 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU X 7 -25.098 2.439 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU X 7 -25.177 1.922 0.334 1.00 0.00 H new ATOM 0 HD21 LEU X 7 -23.984 4.474 1.545 1.00 0.00 H new ATOM 0 HD22 LEU X 7 -23.529 2.812 1.989 1.00 0.00 H new ATOM 0 HD23 LEU X 7 -22.280 3.967 1.467 1.00 0.00 H new ATOM 137 N ASN X 8 -20.657 2.330 -3.420 1.00 0.00 N ATOM 138 CA ASN X 8 -20.825 2.490 -4.850 1.00 0.00 C ATOM 139 C ASN X 8 -21.559 1.279 -5.402 1.00 0.00 C ATOM 140 O ASN X 8 -21.036 0.166 -5.397 1.00 0.00 O ATOM 141 CB ASN X 8 -19.460 2.628 -5.533 1.00 0.00 C ATOM 142 CG ASN X 8 -19.408 3.921 -6.342 1.00 0.00 C ATOM 143 OD1 ASN X 8 -18.833 4.912 -5.891 1.00 0.00 O ATOM 144 ND2 ASN X 8 -19.973 3.967 -7.516 1.00 0.00 N ATOM 0 H ASN X 8 -19.817 1.824 -3.138 1.00 0.00 H new ATOM 0 HA ASN X 8 -21.403 3.393 -5.047 1.00 0.00 H new ATOM 0 HB2 ASN X 8 -18.668 2.626 -4.784 1.00 0.00 H new ATOM 0 HB3 ASN X 8 -19.283 1.774 -6.186 1.00 0.00 H new ATOM 0 HD21 ASN X 8 -19.940 4.826 -8.065 1.00 0.00 H new ATOM 0 HD22 ASN X 8 -20.448 3.144 -7.886 1.00 0.00 H new ATOM 151 N GLY X 9 -22.774 1.506 -5.869 1.00 0.00 N ATOM 152 CA GLY X 9 -23.580 0.428 -6.417 1.00 0.00 C ATOM 153 C GLY X 9 -23.498 0.418 -7.932 1.00 0.00 C ATOM 154 O GLY X 9 -23.115 1.412 -8.550 1.00 0.00 O ATOM 0 H GLY X 9 -23.223 2.422 -5.880 1.00 0.00 H new ATOM 0 HA2 GLY X 9 -23.236 -0.528 -6.022 1.00 0.00 H new ATOM 0 HA3 GLY X 9 -24.617 0.547 -6.104 1.00 0.00 H new ATOM 158 N LYS X 10 -23.863 -0.706 -8.529 1.00 0.00 N ATOM 159 CA LYS X 10 -23.827 -0.819 -9.978 1.00 0.00 C ATOM 160 C LYS X 10 -24.292 0.489 -10.602 1.00 0.00 C ATOM 161 O LYS X 10 -23.503 1.219 -11.201 1.00 0.00 O ATOM 162 CB LYS X 10 -24.732 -1.963 -10.437 1.00 0.00 C ATOM 163 CG LYS X 10 -25.136 -1.742 -11.896 1.00 0.00 C ATOM 164 CD LYS X 10 -25.860 -2.984 -12.420 1.00 0.00 C ATOM 165 CE LYS X 10 -25.109 -3.547 -13.628 1.00 0.00 C ATOM 166 NZ LYS X 10 -25.571 -4.938 -13.894 1.00 0.00 N ATOM 0 H LYS X 10 -24.183 -1.542 -8.040 1.00 0.00 H new ATOM 0 HA LYS X 10 -22.805 -1.028 -10.295 1.00 0.00 H new ATOM 0 HB2 LYS X 10 -24.213 -2.916 -10.333 1.00 0.00 H new ATOM 0 HB3 LYS X 10 -25.620 -2.014 -9.807 1.00 0.00 H new ATOM 0 HG2 LYS X 10 -25.784 -0.869 -11.977 1.00 0.00 H new ATOM 0 HG3 LYS X 10 -24.253 -1.540 -12.502 1.00 0.00 H new ATOM 0 HD2 LYS X 10 -25.924 -3.738 -11.635 1.00 0.00 H new ATOM 0 HD3 LYS X 10 -26.882 -2.730 -12.701 1.00 0.00 H new ATOM 0 HE2 LYS X 10 -25.284 -2.921 -14.503 1.00 0.00 H new ATOM 0 HE3 LYS X 10 -24.036 -3.539 -13.439 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 -25.061 -5.322 -14.715 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 -25.383 -5.532 -13.061 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 -26.592 -4.933 -14.092 1.00 0.00 H new ATOM 180 N THR X 11 -25.577 0.782 -10.444 1.00 0.00 N ATOM 181 CA THR X 11 -26.140 2.009 -10.985 1.00 0.00 C ATOM 182 C THR X 11 -26.550 2.955 -9.858 1.00 0.00 C ATOM 183 O THR X 11 -27.184 3.982 -10.104 1.00 0.00 O ATOM 184 CB THR X 11 -27.356 1.688 -11.856 1.00 0.00 C ATOM 185 OG1 THR X 11 -27.897 2.896 -12.372 1.00 0.00 O ATOM 186 CG2 THR X 11 -28.413 0.969 -11.018 1.00 0.00 C ATOM 0 H THR X 11 -26.244 0.190 -9.949 1.00 0.00 H new ATOM 0 HA THR X 11 -25.379 2.498 -11.593 1.00 0.00 H new ATOM 0 HB THR X 11 -27.053 1.043 -12.681 1.00 0.00 H new ATOM 0 HG1 THR X 11 -27.588 3.651 -11.829 1.00 0.00 H new ATOM 0 HG21 THR X 11 -29.278 0.741 -11.641 1.00 0.00 H new ATOM 0 HG22 THR X 11 -27.996 0.042 -10.624 1.00 0.00 H new ATOM 0 HG23 THR X 11 -28.720 1.610 -10.191 1.00 0.00 H new ATOM 194 N LEU X 12 -26.196 2.607 -8.622 1.00 0.00 N ATOM 195 CA LEU X 12 -26.553 3.448 -7.480 1.00 0.00 C ATOM 196 C LEU X 12 -25.355 3.684 -6.564 1.00 0.00 C ATOM 197 O LEU X 12 -24.577 2.772 -6.294 1.00 0.00 O ATOM 198 CB LEU X 12 -27.683 2.795 -6.681 1.00 0.00 C ATOM 199 CG LEU X 12 -27.964 3.621 -5.420 1.00 0.00 C ATOM 200 CD1 LEU X 12 -29.445 4.001 -5.376 1.00 0.00 C ATOM 201 CD2 LEU X 12 -27.616 2.796 -4.178 1.00 0.00 C ATOM 0 H LEU X 12 -25.672 1.764 -8.387 1.00 0.00 H new ATOM 0 HA LEU X 12 -26.883 4.411 -7.868 1.00 0.00 H new ATOM 0 HB2 LEU X 12 -28.583 2.728 -7.292 1.00 0.00 H new ATOM 0 HB3 LEU X 12 -27.407 1.777 -6.407 1.00 0.00 H new ATOM 0 HG LEU X 12 -27.356 4.525 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU X 12 -29.644 4.588 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU X 12 -29.696 4.590 -6.258 1.00 0.00 H new ATOM 0 HD13 LEU X 12 -30.052 3.096 -5.359 1.00 0.00 H new ATOM 0 HD21 LEU X 12 -27.816 3.384 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU X 12 -28.223 1.891 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU X 12 -26.561 2.525 -4.205 1.00 0.00 H new ATOM 213 N LYS X 13 -25.228 4.916 -6.079 1.00 0.00 N ATOM 214 CA LYS X 13 -24.137 5.278 -5.178 1.00 0.00 C ATOM 215 C LYS X 13 -24.674 6.130 -4.032 1.00 0.00 C ATOM 216 O LYS X 13 -25.719 6.766 -4.166 1.00 0.00 O ATOM 217 CB LYS X 13 -23.064 6.062 -5.937 1.00 0.00 C ATOM 218 CG LYS X 13 -22.670 5.300 -7.204 1.00 0.00 C ATOM 219 CD LYS X 13 -21.582 6.077 -7.950 1.00 0.00 C ATOM 220 CE LYS X 13 -22.110 7.462 -8.330 1.00 0.00 C ATOM 221 NZ LYS X 13 -21.679 8.457 -7.308 1.00 0.00 N ATOM 0 H LYS X 13 -25.867 5.681 -6.295 1.00 0.00 H new ATOM 0 HA LYS X 13 -23.696 4.366 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS X 13 -23.439 7.052 -6.198 1.00 0.00 H new ATOM 0 HB3 LYS X 13 -22.190 6.209 -5.303 1.00 0.00 H new ATOM 0 HG2 LYS X 13 -22.308 4.305 -6.945 1.00 0.00 H new ATOM 0 HG3 LYS X 13 -23.541 5.166 -7.846 1.00 0.00 H new ATOM 0 HD2 LYS X 13 -20.696 6.174 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS X 13 -21.281 5.533 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS X 13 -21.735 7.749 -9.313 1.00 0.00 H new ATOM 0 HE3 LYS X 13 -23.198 7.442 -8.397 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 -22.501 9.013 -6.997 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 -21.268 7.961 -6.492 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 -20.967 9.093 -7.721 1.00 0.00 H new ATOM 235 N GLY X 14 -23.966 6.142 -2.904 1.00 0.00 N ATOM 236 CA GLY X 14 -24.410 6.926 -1.759 1.00 0.00 C ATOM 237 C GLY X 14 -23.271 7.167 -0.775 1.00 0.00 C ATOM 238 O GLY X 14 -22.480 6.269 -0.490 1.00 0.00 O ATOM 0 H GLY X 14 -23.098 5.626 -2.761 1.00 0.00 H new ATOM 0 HA2 GLY X 14 -24.805 7.882 -2.102 1.00 0.00 H new ATOM 0 HA3 GLY X 14 -25.225 6.407 -1.255 1.00 0.00 H new ATOM 242 N GLU X 15 -23.203 8.387 -0.254 1.00 0.00 N ATOM 243 CA GLU X 15 -22.166 8.744 0.707 1.00 0.00 C ATOM 244 C GLU X 15 -22.779 9.486 1.889 1.00 0.00 C ATOM 245 O GLU X 15 -23.657 10.332 1.716 1.00 0.00 O ATOM 246 CB GLU X 15 -21.110 9.627 0.036 1.00 0.00 C ATOM 247 CG GLU X 15 -21.576 11.085 0.052 1.00 0.00 C ATOM 248 CD GLU X 15 -22.994 11.187 -0.503 1.00 0.00 C ATOM 249 OE1 GLU X 15 -23.257 10.565 -1.519 1.00 0.00 O ATOM 250 OE2 GLU X 15 -23.795 11.885 0.097 1.00 0.00 O ATOM 0 H GLU X 15 -23.850 9.142 -0.480 1.00 0.00 H new ATOM 0 HA GLU X 15 -21.693 7.830 1.066 1.00 0.00 H new ATOM 0 HB2 GLU X 15 -20.158 9.533 0.558 1.00 0.00 H new ATOM 0 HB3 GLU X 15 -20.945 9.298 -0.990 1.00 0.00 H new ATOM 0 HG2 GLU X 15 -21.546 11.473 1.070 1.00 0.00 H new ATOM 0 HG3 GLU X 15 -20.899 11.698 -0.543 1.00 0.00 H new ATOM 257 N THR X 16 -22.316 9.163 3.092 1.00 0.00 N ATOM 258 CA THR X 16 -22.834 9.806 4.294 1.00 0.00 C ATOM 259 C THR X 16 -21.734 9.955 5.340 1.00 0.00 C ATOM 260 O THR X 16 -20.612 9.489 5.149 1.00 0.00 O ATOM 261 CB THR X 16 -23.988 8.978 4.870 1.00 0.00 C ATOM 262 OG1 THR X 16 -24.238 7.865 4.023 1.00 0.00 O ATOM 263 CG2 THR X 16 -25.249 9.841 4.966 1.00 0.00 C ATOM 0 H THR X 16 -21.590 8.467 3.260 1.00 0.00 H new ATOM 0 HA THR X 16 -23.197 10.798 4.027 1.00 0.00 H new ATOM 0 HB THR X 16 -23.718 8.627 5.866 1.00 0.00 H new ATOM 0 HG1 THR X 16 -24.975 7.333 4.391 1.00 0.00 H new ATOM 0 HG21 THR X 16 -26.066 9.247 5.376 1.00 0.00 H new ATOM 0 HG22 THR X 16 -25.058 10.694 5.617 1.00 0.00 H new ATOM 0 HG23 THR X 16 -25.522 10.197 3.973 1.00 0.00 H new ATOM 271 N THR X 17 -22.068 10.609 6.448 1.00 0.00 N ATOM 272 CA THR X 17 -21.107 10.816 7.527 1.00 0.00 C ATOM 273 C THR X 17 -21.703 10.368 8.856 1.00 0.00 C ATOM 274 O THR X 17 -22.853 10.677 9.165 1.00 0.00 O ATOM 275 CB THR X 17 -20.721 12.296 7.607 1.00 0.00 C ATOM 276 OG1 THR X 17 -21.516 12.939 8.595 1.00 0.00 O ATOM 277 CG2 THR X 17 -20.952 12.961 6.250 1.00 0.00 C ATOM 0 H THR X 17 -22.992 11.003 6.622 1.00 0.00 H new ATOM 0 HA THR X 17 -20.216 10.223 7.320 1.00 0.00 H new ATOM 0 HB THR X 17 -19.668 12.383 7.875 1.00 0.00 H new ATOM 0 HG1 THR X 17 -21.269 13.886 8.648 1.00 0.00 H new ATOM 0 HG21 THR X 17 -20.677 14.014 6.309 1.00 0.00 H new ATOM 0 HG22 THR X 17 -20.340 12.468 5.494 1.00 0.00 H new ATOM 0 HG23 THR X 17 -22.004 12.876 5.977 1.00 0.00 H new ATOM 285 N THR X 18 -20.919 9.635 9.638 1.00 0.00 N ATOM 286 CA THR X 18 -21.392 9.150 10.928 1.00 0.00 C ATOM 287 C THR X 18 -20.237 9.028 11.915 1.00 0.00 C ATOM 288 O THR X 18 -19.103 8.743 11.527 1.00 0.00 O ATOM 289 CB THR X 18 -22.060 7.784 10.757 1.00 0.00 C ATOM 290 OG1 THR X 18 -22.163 7.147 12.022 1.00 0.00 O ATOM 291 CG2 THR X 18 -21.221 6.919 9.815 1.00 0.00 C ATOM 0 H THR X 18 -19.963 9.366 9.405 1.00 0.00 H new ATOM 0 HA THR X 18 -22.115 9.866 11.319 1.00 0.00 H new ATOM 0 HB THR X 18 -23.056 7.917 10.335 1.00 0.00 H new ATOM 0 HG1 THR X 18 -22.592 6.273 11.914 1.00 0.00 H new ATOM 0 HG21 THR X 18 -21.697 5.946 9.694 1.00 0.00 H new ATOM 0 HG22 THR X 18 -21.143 7.409 8.844 1.00 0.00 H new ATOM 0 HG23 THR X 18 -20.224 6.785 10.235 1.00 0.00 H new ATOM 299 N GLU X 19 -20.533 9.245 13.192 1.00 0.00 N ATOM 300 CA GLU X 19 -19.513 9.154 14.229 1.00 0.00 C ATOM 301 C GLU X 19 -19.803 7.985 15.164 1.00 0.00 C ATOM 302 O GLU X 19 -20.764 8.017 15.933 1.00 0.00 O ATOM 303 CB GLU X 19 -19.469 10.453 15.037 1.00 0.00 C ATOM 304 CG GLU X 19 -19.946 11.615 14.164 1.00 0.00 C ATOM 305 CD GLU X 19 -21.432 11.865 14.396 1.00 0.00 C ATOM 306 OE1 GLU X 19 -22.224 11.034 13.985 1.00 0.00 O ATOM 307 OE2 GLU X 19 -21.757 12.887 14.982 1.00 0.00 O ATOM 0 H GLU X 19 -21.465 9.484 13.532 1.00 0.00 H new ATOM 0 HA GLU X 19 -18.548 8.992 13.748 1.00 0.00 H new ATOM 0 HB2 GLU X 19 -20.101 10.365 15.921 1.00 0.00 H new ATOM 0 HB3 GLU X 19 -18.454 10.641 15.388 1.00 0.00 H new ATOM 0 HG2 GLU X 19 -19.376 12.514 14.398 1.00 0.00 H new ATOM 0 HG3 GLU X 19 -19.767 11.389 13.113 1.00 0.00 H new ATOM 314 N ALA X 20 -18.966 6.956 15.091 1.00 0.00 N ATOM 315 CA ALA X 20 -19.142 5.780 15.936 1.00 0.00 C ATOM 316 C ALA X 20 -17.790 5.183 16.313 1.00 0.00 C ATOM 317 O ALA X 20 -16.793 5.398 15.624 1.00 0.00 O ATOM 318 CB ALA X 20 -19.977 4.728 15.203 1.00 0.00 C ATOM 0 H ALA X 20 -18.165 6.911 14.461 1.00 0.00 H new ATOM 0 HA ALA X 20 -19.659 6.086 16.845 1.00 0.00 H new ATOM 0 HB1 ALA X 20 -20.103 3.854 15.842 1.00 0.00 H new ATOM 0 HB2 ALA X 20 -20.955 5.144 14.960 1.00 0.00 H new ATOM 0 HB3 ALA X 20 -19.469 4.436 14.284 1.00 0.00 H new ATOM 324 N VAL X 21 -17.766 4.432 17.410 1.00 0.00 N ATOM 325 CA VAL X 21 -16.533 3.807 17.870 1.00 0.00 C ATOM 326 C VAL X 21 -16.585 2.299 17.648 1.00 0.00 C ATOM 327 O VAL X 21 -15.877 1.539 18.308 1.00 0.00 O ATOM 328 CB VAL X 21 -16.320 4.099 19.357 1.00 0.00 C ATOM 329 CG1 VAL X 21 -17.326 3.296 20.185 1.00 0.00 C ATOM 330 CG2 VAL X 21 -14.895 3.702 19.757 1.00 0.00 C ATOM 0 H VAL X 21 -18.581 4.243 17.993 1.00 0.00 H new ATOM 0 HA VAL X 21 -15.702 4.220 17.298 1.00 0.00 H new ATOM 0 HB VAL X 21 -16.466 5.163 19.542 1.00 0.00 H new ATOM 0 HG11 VAL X 21 -17.174 3.504 21.244 1.00 0.00 H new ATOM 0 HG12 VAL X 21 -18.339 3.580 19.901 1.00 0.00 H new ATOM 0 HG13 VAL X 21 -17.182 2.231 20.000 1.00 0.00 H new ATOM 0 HG21 VAL X 21 -14.743 3.910 20.816 1.00 0.00 H new ATOM 0 HG22 VAL X 21 -14.748 2.638 19.571 1.00 0.00 H new ATOM 0 HG23 VAL X 21 -14.179 4.275 19.168 1.00 0.00 H new ATOM 340 N ASP X 22 -17.428 1.874 16.712 1.00 0.00 N ATOM 341 CA ASP X 22 -17.566 0.453 16.409 1.00 0.00 C ATOM 342 C ASP X 22 -18.537 0.248 15.248 1.00 0.00 C ATOM 343 O ASP X 22 -19.358 -0.668 15.267 1.00 0.00 O ATOM 344 CB ASP X 22 -18.072 -0.299 17.644 1.00 0.00 C ATOM 345 CG ASP X 22 -17.129 -1.450 17.977 1.00 0.00 C ATOM 346 OD1 ASP X 22 -15.977 -1.179 18.279 1.00 0.00 O ATOM 347 OD2 ASP X 22 -17.570 -2.585 17.927 1.00 0.00 O ATOM 0 H ASP X 22 -18.022 2.487 16.154 1.00 0.00 H new ATOM 0 HA ASP X 22 -16.589 0.062 16.125 1.00 0.00 H new ATOM 0 HB2 ASP X 22 -18.141 0.382 18.492 1.00 0.00 H new ATOM 0 HB3 ASP X 22 -19.076 -0.682 17.461 1.00 0.00 H new ATOM 352 N ALA X 23 -18.433 1.108 14.240 1.00 0.00 N ATOM 353 CA ALA X 23 -19.305 1.015 13.074 1.00 0.00 C ATOM 354 C ALA X 23 -19.244 -0.384 12.467 1.00 0.00 C ATOM 355 O ALA X 23 -20.173 -0.815 11.784 1.00 0.00 O ATOM 356 CB ALA X 23 -18.886 2.047 12.027 1.00 0.00 C ATOM 0 H ALA X 23 -17.758 1.872 14.206 1.00 0.00 H new ATOM 0 HA ALA X 23 -20.328 1.215 13.392 1.00 0.00 H new ATOM 0 HB1 ALA X 23 -19.541 1.972 11.159 1.00 0.00 H new ATOM 0 HB2 ALA X 23 -18.961 3.048 12.452 1.00 0.00 H new ATOM 0 HB3 ALA X 23 -17.857 1.858 11.722 1.00 0.00 H new ATOM 362 N ALA X 24 -18.145 -1.087 12.719 1.00 0.00 N ATOM 363 CA ALA X 24 -17.978 -2.435 12.187 1.00 0.00 C ATOM 364 C ALA X 24 -19.112 -3.340 12.656 1.00 0.00 C ATOM 365 O ALA X 24 -19.677 -4.100 11.869 1.00 0.00 O ATOM 366 CB ALA X 24 -16.636 -3.013 12.645 1.00 0.00 C ATOM 0 H ALA X 24 -17.364 -0.751 13.282 1.00 0.00 H new ATOM 0 HA ALA X 24 -17.998 -2.382 11.098 1.00 0.00 H new ATOM 0 HB1 ALA X 24 -16.518 -4.020 12.244 1.00 0.00 H new ATOM 0 HB2 ALA X 24 -15.825 -2.381 12.283 1.00 0.00 H new ATOM 0 HB3 ALA X 24 -16.609 -3.050 13.734 1.00 0.00 H new ATOM 372 N THR X 25 -19.444 -3.251 13.939 1.00 0.00 N ATOM 373 CA THR X 25 -20.518 -4.065 14.499 1.00 0.00 C ATOM 374 C THR X 25 -21.878 -3.521 14.075 1.00 0.00 C ATOM 375 O THR X 25 -22.756 -4.273 13.653 1.00 0.00 O ATOM 376 CB THR X 25 -20.426 -4.071 16.026 1.00 0.00 C ATOM 377 OG1 THR X 25 -19.067 -3.943 16.415 1.00 0.00 O ATOM 378 CG2 THR X 25 -20.995 -5.382 16.570 1.00 0.00 C ATOM 0 H THR X 25 -18.989 -2.629 14.607 1.00 0.00 H new ATOM 0 HA THR X 25 -20.411 -5.083 14.123 1.00 0.00 H new ATOM 0 HB THR X 25 -21.000 -3.237 16.429 1.00 0.00 H new ATOM 0 HG1 THR X 25 -19.000 -3.325 17.172 1.00 0.00 H new ATOM 0 HG21 THR X 25 -20.928 -5.384 17.658 1.00 0.00 H new ATOM 0 HG22 THR X 25 -22.039 -5.478 16.270 1.00 0.00 H new ATOM 0 HG23 THR X 25 -20.424 -6.220 16.170 1.00 0.00 H new ATOM 386 N ALA X 26 -22.041 -2.208 14.193 1.00 0.00 N ATOM 387 CA ALA X 26 -23.295 -1.565 13.821 1.00 0.00 C ATOM 388 C ALA X 26 -23.519 -1.652 12.314 1.00 0.00 C ATOM 389 O ALA X 26 -24.629 -1.919 11.857 1.00 0.00 O ATOM 390 CB ALA X 26 -23.276 -0.097 14.253 1.00 0.00 C ATOM 0 H ALA X 26 -21.324 -1.571 14.541 1.00 0.00 H new ATOM 0 HA ALA X 26 -24.110 -2.083 14.326 1.00 0.00 H new ATOM 0 HB1 ALA X 26 -24.216 0.377 13.972 1.00 0.00 H new ATOM 0 HB2 ALA X 26 -23.149 -0.037 15.334 1.00 0.00 H new ATOM 0 HB3 ALA X 26 -22.450 0.416 13.761 1.00 0.00 H new ATOM 396 N GLU X 27 -22.457 -1.423 11.549 1.00 0.00 N ATOM 397 CA GLU X 27 -22.550 -1.476 10.096 1.00 0.00 C ATOM 398 C GLU X 27 -22.993 -2.862 9.641 1.00 0.00 C ATOM 399 O GLU X 27 -23.797 -2.996 8.719 1.00 0.00 O ATOM 400 CB GLU X 27 -21.196 -1.136 9.470 1.00 0.00 C ATOM 401 CG GLU X 27 -21.326 -1.130 7.948 1.00 0.00 C ATOM 402 CD GLU X 27 -22.314 -0.052 7.514 1.00 0.00 C ATOM 403 OE1 GLU X 27 -22.032 1.112 7.748 1.00 0.00 O ATOM 404 OE2 GLU X 27 -23.340 -0.405 6.956 1.00 0.00 O ATOM 0 H GLU X 27 -21.529 -1.201 11.908 1.00 0.00 H new ATOM 0 HA GLU X 27 -23.290 -0.745 9.770 1.00 0.00 H new ATOM 0 HB2 GLU X 27 -20.856 -0.162 9.820 1.00 0.00 H new ATOM 0 HB3 GLU X 27 -20.447 -1.865 9.779 1.00 0.00 H new ATOM 0 HG2 GLU X 27 -20.353 -0.948 7.492 1.00 0.00 H new ATOM 0 HG3 GLU X 27 -21.664 -2.106 7.600 1.00 0.00 H new ATOM 411 N LYS X 28 -22.470 -3.893 10.299 1.00 0.00 N ATOM 412 CA LYS X 28 -22.829 -5.264 9.956 1.00 0.00 C ATOM 413 C LYS X 28 -24.325 -5.473 10.147 1.00 0.00 C ATOM 414 O LYS X 28 -24.980 -6.133 9.342 1.00 0.00 O ATOM 415 CB LYS X 28 -22.052 -6.248 10.834 1.00 0.00 C ATOM 416 CG LYS X 28 -21.665 -7.474 10.004 1.00 0.00 C ATOM 417 CD LYS X 28 -21.315 -8.636 10.938 1.00 0.00 C ATOM 418 CE LYS X 28 -22.601 -9.289 11.447 1.00 0.00 C ATOM 419 NZ LYS X 28 -22.756 -10.634 10.825 1.00 0.00 N ATOM 0 H LYS X 28 -21.803 -3.806 11.065 1.00 0.00 H new ATOM 0 HA LYS X 28 -22.573 -5.443 8.912 1.00 0.00 H new ATOM 0 HB2 LYS X 28 -21.158 -5.769 11.233 1.00 0.00 H new ATOM 0 HB3 LYS X 28 -22.660 -6.550 11.687 1.00 0.00 H new ATOM 0 HG2 LYS X 28 -22.488 -7.757 9.348 1.00 0.00 H new ATOM 0 HG3 LYS X 28 -20.814 -7.239 9.364 1.00 0.00 H new ATOM 0 HD2 LYS X 28 -20.707 -9.370 10.410 1.00 0.00 H new ATOM 0 HD3 LYS X 28 -20.721 -8.275 11.778 1.00 0.00 H new ATOM 0 HE2 LYS X 28 -22.570 -9.380 12.533 1.00 0.00 H new ATOM 0 HE3 LYS X 28 -23.460 -8.663 11.204 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 -23.630 -11.078 11.171 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 -22.804 -10.535 9.791 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 -21.942 -11.229 11.078 1.00 0.00 H new ATOM 433 N VAL X 29 -24.861 -4.890 11.215 1.00 0.00 N ATOM 434 CA VAL X 29 -26.284 -5.003 11.499 1.00 0.00 C ATOM 435 C VAL X 29 -27.084 -4.261 10.434 1.00 0.00 C ATOM 436 O VAL X 29 -28.117 -4.741 9.968 1.00 0.00 O ATOM 437 CB VAL X 29 -26.591 -4.410 12.877 1.00 0.00 C ATOM 438 CG1 VAL X 29 -28.091 -4.135 12.994 1.00 0.00 C ATOM 439 CG2 VAL X 29 -26.170 -5.398 13.971 1.00 0.00 C ATOM 0 H VAL X 29 -24.334 -4.339 11.893 1.00 0.00 H new ATOM 0 HA VAL X 29 -26.564 -6.057 11.492 1.00 0.00 H new ATOM 0 HB VAL X 29 -26.038 -3.478 12.997 1.00 0.00 H new ATOM 0 HG11 VAL X 29 -28.308 -3.713 13.975 1.00 0.00 H new ATOM 0 HG12 VAL X 29 -28.393 -3.429 12.220 1.00 0.00 H new ATOM 0 HG13 VAL X 29 -28.643 -5.067 12.870 1.00 0.00 H new ATOM 0 HG21 VAL X 29 -26.390 -4.972 14.950 1.00 0.00 H new ATOM 0 HG22 VAL X 29 -26.720 -6.331 13.849 1.00 0.00 H new ATOM 0 HG23 VAL X 29 -25.101 -5.594 13.893 1.00 0.00 H new ATOM 449 N PHE X 30 -26.591 -3.086 10.054 1.00 0.00 N ATOM 450 CA PHE X 30 -27.254 -2.274 9.041 1.00 0.00 C ATOM 451 C PHE X 30 -27.276 -2.998 7.697 1.00 0.00 C ATOM 452 O PHE X 30 -28.155 -2.758 6.870 1.00 0.00 O ATOM 453 CB PHE X 30 -26.539 -0.928 8.895 1.00 0.00 C ATOM 454 CG PHE X 30 -27.332 0.139 9.610 1.00 0.00 C ATOM 455 CD1 PHE X 30 -28.538 0.598 9.066 1.00 0.00 C ATOM 456 CD2 PHE X 30 -26.865 0.668 10.819 1.00 0.00 C ATOM 457 CE1 PHE X 30 -29.276 1.586 9.730 1.00 0.00 C ATOM 458 CE2 PHE X 30 -27.603 1.654 11.484 1.00 0.00 C ATOM 459 CZ PHE X 30 -28.809 2.114 10.939 1.00 0.00 C ATOM 0 H PHE X 30 -25.737 -2.676 10.432 1.00 0.00 H new ATOM 0 HA PHE X 30 -28.282 -2.102 9.359 1.00 0.00 H new ATOM 0 HB2 PHE X 30 -25.534 -0.990 9.311 1.00 0.00 H new ATOM 0 HB3 PHE X 30 -26.432 -0.673 7.841 1.00 0.00 H new ATOM 0 HD1 PHE X 30 -28.899 0.190 8.134 1.00 0.00 H new ATOM 0 HD2 PHE X 30 -25.935 0.315 11.239 1.00 0.00 H new ATOM 0 HE1 PHE X 30 -30.205 1.940 9.309 1.00 0.00 H new ATOM 0 HE2 PHE X 30 -27.243 2.060 12.418 1.00 0.00 H new ATOM 0 HZ PHE X 30 -29.378 2.876 11.452 1.00 0.00 H new ATOM 469 N LYS X 31 -26.308 -3.886 7.485 1.00 0.00 N ATOM 470 CA LYS X 31 -26.239 -4.634 6.237 1.00 0.00 C ATOM 471 C LYS X 31 -27.543 -5.386 6.022 1.00 0.00 C ATOM 472 O LYS X 31 -27.980 -5.587 4.888 1.00 0.00 O ATOM 473 CB LYS X 31 -25.072 -5.623 6.282 1.00 0.00 C ATOM 474 CG LYS X 31 -24.972 -6.367 4.948 1.00 0.00 C ATOM 475 CD LYS X 31 -23.498 -6.549 4.577 1.00 0.00 C ATOM 476 CE LYS X 31 -23.356 -7.705 3.586 1.00 0.00 C ATOM 477 NZ LYS X 31 -21.911 -8.028 3.406 1.00 0.00 N ATOM 0 H LYS X 31 -25.569 -4.102 8.154 1.00 0.00 H new ATOM 0 HA LYS X 31 -26.081 -3.939 5.412 1.00 0.00 H new ATOM 0 HB2 LYS X 31 -24.141 -5.093 6.484 1.00 0.00 H new ATOM 0 HB3 LYS X 31 -25.217 -6.334 7.096 1.00 0.00 H new ATOM 0 HG2 LYS X 31 -25.462 -7.338 5.023 1.00 0.00 H new ATOM 0 HG3 LYS X 31 -25.489 -5.808 4.168 1.00 0.00 H new ATOM 0 HD2 LYS X 31 -23.107 -5.631 4.138 1.00 0.00 H new ATOM 0 HD3 LYS X 31 -22.910 -6.750 5.472 1.00 0.00 H new ATOM 0 HE2 LYS X 31 -23.893 -8.580 3.952 1.00 0.00 H new ATOM 0 HE3 LYS X 31 -23.802 -7.435 2.629 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 -21.812 -8.814 2.732 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 -21.412 -7.193 3.039 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 -21.500 -8.303 4.321 1.00 0.00 H new ATOM 491 N GLN X 32 -28.175 -5.776 7.124 1.00 0.00 N ATOM 492 CA GLN X 32 -29.448 -6.478 7.048 1.00 0.00 C ATOM 493 C GLN X 32 -30.521 -5.508 6.568 1.00 0.00 C ATOM 494 O GLN X 32 -31.319 -5.828 5.687 1.00 0.00 O ATOM 495 CB GLN X 32 -29.832 -7.035 8.423 1.00 0.00 C ATOM 496 CG GLN X 32 -28.654 -7.817 9.006 1.00 0.00 C ATOM 497 CD GLN X 32 -28.435 -9.098 8.210 1.00 0.00 C ATOM 498 OE1 GLN X 32 -29.235 -10.029 8.299 1.00 0.00 O ATOM 499 NE2 GLN X 32 -27.393 -9.201 7.431 1.00 0.00 N ATOM 0 H GLN X 32 -27.830 -5.619 8.071 1.00 0.00 H new ATOM 0 HA GLN X 32 -29.360 -7.310 6.349 1.00 0.00 H new ATOM 0 HB2 GLN X 32 -30.108 -6.220 9.093 1.00 0.00 H new ATOM 0 HB3 GLN X 32 -30.704 -7.683 8.334 1.00 0.00 H new ATOM 0 HG2 GLN X 32 -27.752 -7.205 8.981 1.00 0.00 H new ATOM 0 HG3 GLN X 32 -28.848 -8.057 10.051 1.00 0.00 H new ATOM 0 HE21 GLN X 32 -26.732 -8.428 7.359 1.00 0.00 H new ATOM 0 HE22 GLN X 32 -27.240 -10.055 6.894 1.00 0.00 H new ATOM 508 N TYR X 33 -30.512 -4.311 7.146 1.00 0.00 N ATOM 509 CA TYR X 33 -31.467 -3.276 6.769 1.00 0.00 C ATOM 510 C TYR X 33 -31.111 -2.720 5.393 1.00 0.00 C ATOM 511 O TYR X 33 -31.990 -2.379 4.602 1.00 0.00 O ATOM 512 CB TYR X 33 -31.441 -2.142 7.798 1.00 0.00 C ATOM 513 CG TYR X 33 -32.854 -1.756 8.171 1.00 0.00 C ATOM 514 CD1 TYR X 33 -33.597 -2.567 9.037 1.00 0.00 C ATOM 515 CD2 TYR X 33 -33.417 -0.583 7.654 1.00 0.00 C ATOM 516 CE1 TYR X 33 -34.904 -2.204 9.386 1.00 0.00 C ATOM 517 CE2 TYR X 33 -34.723 -0.220 8.004 1.00 0.00 C ATOM 518 CZ TYR X 33 -35.466 -1.030 8.870 1.00 0.00 C ATOM 519 OH TYR X 33 -36.754 -0.672 9.215 1.00 0.00 O ATOM 0 H TYR X 33 -29.855 -4.035 7.876 1.00 0.00 H new ATOM 0 HA TYR X 33 -32.466 -3.712 6.737 1.00 0.00 H new ATOM 0 HB2 TYR X 33 -30.894 -2.457 8.686 1.00 0.00 H new ATOM 0 HB3 TYR X 33 -30.915 -1.280 7.389 1.00 0.00 H new ATOM 0 HD1 TYR X 33 -33.163 -3.472 9.436 1.00 0.00 H new ATOM 0 HD2 TYR X 33 -32.844 0.042 6.985 1.00 0.00 H new ATOM 0 HE1 TYR X 33 -35.478 -2.830 10.053 1.00 0.00 H new ATOM 0 HE2 TYR X 33 -35.157 0.685 7.606 1.00 0.00 H new ATOM 0 HH TYR X 33 -36.990 0.169 8.771 1.00 0.00 H new ATOM 529 N ALA X 34 -29.810 -2.633 5.120 1.00 0.00 N ATOM 530 CA ALA X 34 -29.333 -2.120 3.842 1.00 0.00 C ATOM 531 C ALA X 34 -29.794 -3.022 2.705 1.00 0.00 C ATOM 532 O ALA X 34 -30.291 -2.544 1.686 1.00 0.00 O ATOM 533 CB ALA X 34 -27.804 -2.042 3.848 1.00 0.00 C ATOM 0 H ALA X 34 -29.071 -2.911 5.766 1.00 0.00 H new ATOM 0 HA ALA X 34 -29.745 -1.122 3.692 1.00 0.00 H new ATOM 0 HB1 ALA X 34 -27.456 -1.658 2.889 1.00 0.00 H new ATOM 0 HB2 ALA X 34 -27.477 -1.376 4.646 1.00 0.00 H new ATOM 0 HB3 ALA X 34 -27.390 -3.037 4.012 1.00 0.00 H new ATOM 539 N ASN X 35 -29.634 -4.328 2.887 1.00 0.00 N ATOM 540 CA ASN X 35 -30.048 -5.279 1.864 1.00 0.00 C ATOM 541 C ASN X 35 -31.527 -5.089 1.545 1.00 0.00 C ATOM 542 O ASN X 35 -31.921 -5.039 0.380 1.00 0.00 O ATOM 543 CB ASN X 35 -29.805 -6.711 2.344 1.00 0.00 C ATOM 544 CG ASN X 35 -29.874 -7.674 1.165 1.00 0.00 C ATOM 545 OD1 ASN X 35 -30.679 -8.605 1.169 1.00 0.00 O ATOM 546 ND2 ASN X 35 -29.073 -7.506 0.149 1.00 0.00 N ATOM 0 H ASN X 35 -29.226 -4.748 3.722 1.00 0.00 H new ATOM 0 HA ASN X 35 -29.460 -5.102 0.964 1.00 0.00 H new ATOM 0 HB2 ASN X 35 -28.830 -6.782 2.825 1.00 0.00 H new ATOM 0 HB3 ASN X 35 -30.550 -6.984 3.092 1.00 0.00 H new ATOM 0 HD21 ASN X 35 -29.113 -8.147 -0.644 1.00 0.00 H new ATOM 0 HD22 ASN X 35 -28.406 -6.734 0.147 1.00 0.00 H new ATOM 553 N ASP X 36 -32.338 -4.972 2.593 1.00 0.00 N ATOM 554 CA ASP X 36 -33.772 -4.774 2.419 1.00 0.00 C ATOM 555 C ASP X 36 -34.043 -3.417 1.780 1.00 0.00 C ATOM 556 O ASP X 36 -35.080 -3.211 1.150 1.00 0.00 O ATOM 557 CB ASP X 36 -34.479 -4.850 3.772 1.00 0.00 C ATOM 558 CG ASP X 36 -35.927 -4.393 3.631 1.00 0.00 C ATOM 559 OD1 ASP X 36 -36.564 -4.794 2.671 1.00 0.00 O ATOM 560 OD2 ASP X 36 -36.377 -3.645 4.484 1.00 0.00 O ATOM 0 H ASP X 36 -32.029 -5.011 3.564 1.00 0.00 H new ATOM 0 HA ASP X 36 -34.154 -5.559 1.767 1.00 0.00 H new ATOM 0 HB2 ASP X 36 -34.447 -5.871 4.151 1.00 0.00 H new ATOM 0 HB3 ASP X 36 -33.961 -4.224 4.498 1.00 0.00 H new ATOM 565 N ASN X 37 -33.101 -2.496 1.951 1.00 0.00 N ATOM 566 CA ASN X 37 -33.241 -1.158 1.389 1.00 0.00 C ATOM 567 C ASN X 37 -32.744 -1.137 -0.052 1.00 0.00 C ATOM 568 O ASN X 37 -32.869 -0.129 -0.747 1.00 0.00 O ATOM 569 CB ASN X 37 -32.440 -0.157 2.224 1.00 0.00 C ATOM 570 CG ASN X 37 -33.266 1.101 2.464 1.00 0.00 C ATOM 571 OD1 ASN X 37 -33.740 1.725 1.515 1.00 0.00 O ATOM 572 ND2 ASN X 37 -33.470 1.513 3.686 1.00 0.00 N ATOM 0 H ASN X 37 -32.237 -2.650 2.471 1.00 0.00 H new ATOM 0 HA ASN X 37 -34.295 -0.880 1.405 1.00 0.00 H new ATOM 0 HB2 ASN X 37 -32.162 -0.607 3.177 1.00 0.00 H new ATOM 0 HB3 ASN X 37 -31.514 0.099 1.710 1.00 0.00 H new ATOM 0 HD21 ASN X 37 -34.023 2.353 3.855 1.00 0.00 H new ATOM 0 HD22 ASN X 37 -33.076 0.995 4.471 1.00 0.00 H new ATOM 579 N GLY X 38 -32.183 -2.258 -0.491 1.00 0.00 N ATOM 580 CA GLY X 38 -31.673 -2.362 -1.852 1.00 0.00 C ATOM 581 C GLY X 38 -30.183 -2.044 -1.908 1.00 0.00 C ATOM 582 O GLY X 38 -29.648 -1.729 -2.971 1.00 0.00 O ATOM 0 H GLY X 38 -32.070 -3.102 0.071 1.00 0.00 H new ATOM 0 HA2 GLY X 38 -31.847 -3.368 -2.233 1.00 0.00 H new ATOM 0 HA3 GLY X 38 -32.218 -1.677 -2.501 1.00 0.00 H new ATOM 586 N VAL X 39 -29.513 -2.132 -0.762 1.00 0.00 N ATOM 587 CA VAL X 39 -28.083 -1.850 -0.715 1.00 0.00 C ATOM 588 C VAL X 39 -27.286 -3.145 -0.591 1.00 0.00 C ATOM 589 O VAL X 39 -27.277 -3.785 0.460 1.00 0.00 O ATOM 590 CB VAL X 39 -27.772 -0.939 0.472 1.00 0.00 C ATOM 591 CG1 VAL X 39 -26.279 -0.610 0.484 1.00 0.00 C ATOM 592 CG2 VAL X 39 -28.577 0.356 0.341 1.00 0.00 C ATOM 0 H VAL X 39 -29.929 -2.392 0.132 1.00 0.00 H new ATOM 0 HA VAL X 39 -27.798 -1.350 -1.641 1.00 0.00 H new ATOM 0 HB VAL X 39 -28.040 -1.444 1.400 1.00 0.00 H new ATOM 0 HG11 VAL X 39 -26.056 0.040 1.330 1.00 0.00 H new ATOM 0 HG12 VAL X 39 -25.704 -1.532 0.573 1.00 0.00 H new ATOM 0 HG13 VAL X 39 -26.011 -0.103 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL X 39 -28.357 1.008 1.186 1.00 0.00 H new ATOM 0 HG22 VAL X 39 -28.306 0.861 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL X 39 -29.642 0.123 0.330 1.00 0.00 H new ATOM 602 N ASP X 40 -26.610 -3.517 -1.674 1.00 0.00 N ATOM 603 CA ASP X 40 -25.803 -4.729 -1.684 1.00 0.00 C ATOM 604 C ASP X 40 -24.389 -4.415 -2.150 1.00 0.00 C ATOM 605 O ASP X 40 -24.141 -3.367 -2.746 1.00 0.00 O ATOM 606 CB ASP X 40 -26.430 -5.768 -2.617 1.00 0.00 C ATOM 607 CG ASP X 40 -25.793 -7.134 -2.380 1.00 0.00 C ATOM 608 OD1 ASP X 40 -24.773 -7.183 -1.713 1.00 0.00 O ATOM 609 OD2 ASP X 40 -26.333 -8.111 -2.872 1.00 0.00 O ATOM 0 H ASP X 40 -26.606 -2.998 -2.552 1.00 0.00 H new ATOM 0 HA ASP X 40 -25.765 -5.130 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP X 40 -27.505 -5.824 -2.443 1.00 0.00 H new ATOM 0 HB3 ASP X 40 -26.290 -5.468 -3.655 1.00 0.00 H new ATOM 614 N GLY X 41 -23.468 -5.332 -1.889 1.00 0.00 N ATOM 615 CA GLY X 41 -22.087 -5.141 -2.302 1.00 0.00 C ATOM 616 C GLY X 41 -21.122 -5.793 -1.325 1.00 0.00 C ATOM 617 O GLY X 41 -21.487 -6.714 -0.594 1.00 0.00 O ATOM 0 H GLY X 41 -23.650 -6.207 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY X 41 -21.941 -5.563 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY X 41 -21.871 -4.075 -2.373 1.00 0.00 H new ATOM 621 N GLU X 42 -19.887 -5.307 -1.320 1.00 0.00 N ATOM 622 CA GLU X 42 -18.870 -5.845 -0.429 1.00 0.00 C ATOM 623 C GLU X 42 -18.376 -4.761 0.518 1.00 0.00 C ATOM 624 O GLU X 42 -17.893 -3.719 0.083 1.00 0.00 O ATOM 625 CB GLU X 42 -17.695 -6.391 -1.241 1.00 0.00 C ATOM 626 CG GLU X 42 -17.993 -7.831 -1.664 1.00 0.00 C ATOM 627 CD GLU X 42 -17.311 -8.136 -2.993 1.00 0.00 C ATOM 628 OE1 GLU X 42 -16.150 -7.792 -3.132 1.00 0.00 O ATOM 629 OE2 GLU X 42 -17.961 -8.709 -3.852 1.00 0.00 O ATOM 0 H GLU X 42 -19.568 -4.546 -1.919 1.00 0.00 H new ATOM 0 HA GLU X 42 -19.310 -6.655 0.153 1.00 0.00 H new ATOM 0 HB2 GLU X 42 -17.527 -5.770 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU X 42 -16.782 -6.357 -0.647 1.00 0.00 H new ATOM 0 HG2 GLU X 42 -17.642 -8.523 -0.899 1.00 0.00 H new ATOM 0 HG3 GLU X 42 -19.069 -7.976 -1.756 1.00 0.00 H new ATOM 636 N TRP X 43 -18.498 -5.014 1.812 1.00 0.00 N ATOM 637 CA TRP X 43 -18.065 -4.041 2.806 1.00 0.00 C ATOM 638 C TRP X 43 -16.726 -4.454 3.407 1.00 0.00 C ATOM 639 O TRP X 43 -16.416 -5.641 3.508 1.00 0.00 O ATOM 640 CB TRP X 43 -19.107 -3.934 3.925 1.00 0.00 C ATOM 641 CG TRP X 43 -20.465 -3.679 3.344 1.00 0.00 C ATOM 642 CD1 TRP X 43 -21.099 -4.482 2.457 1.00 0.00 C ATOM 643 CD2 TRP X 43 -21.368 -2.564 3.604 1.00 0.00 C ATOM 644 NE1 TRP X 43 -22.333 -3.928 2.154 1.00 0.00 N ATOM 645 CE2 TRP X 43 -22.542 -2.746 2.836 1.00 0.00 C ATOM 646 CE3 TRP X 43 -21.281 -1.422 4.422 1.00 0.00 C ATOM 647 CZ2 TRP X 43 -23.593 -1.829 2.878 1.00 0.00 C ATOM 648 CZ3 TRP X 43 -22.338 -0.497 4.466 1.00 0.00 C ATOM 649 CH2 TRP X 43 -23.491 -0.702 3.696 1.00 0.00 C ATOM 0 H TRP X 43 -18.888 -5.874 2.197 1.00 0.00 H new ATOM 0 HA TRP X 43 -17.955 -3.074 2.314 1.00 0.00 H new ATOM 0 HB2 TRP X 43 -19.120 -4.854 4.509 1.00 0.00 H new ATOM 0 HB3 TRP X 43 -18.838 -3.127 4.607 1.00 0.00 H new ATOM 0 HD1 TRP X 43 -20.707 -5.403 2.052 1.00 0.00 H new ATOM 0 HE1 TRP X 43 -23.004 -4.342 1.507 1.00 0.00 H new ATOM 0 HE3 TRP X 43 -20.397 -1.256 5.019 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 -24.479 -1.990 2.282 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 -22.261 0.376 5.097 1.00 0.00 H new ATOM 0 HH2 TRP X 43 -24.301 0.012 3.735 1.00 0.00 H new ATOM 660 N THR X 44 -15.934 -3.460 3.798 1.00 0.00 N ATOM 661 CA THR X 44 -14.624 -3.721 4.383 1.00 0.00 C ATOM 662 C THR X 44 -14.182 -2.543 5.245 1.00 0.00 C ATOM 663 O THR X 44 -14.716 -1.440 5.125 1.00 0.00 O ATOM 664 CB THR X 44 -13.597 -3.959 3.273 1.00 0.00 C ATOM 665 OG1 THR X 44 -14.263 -4.428 2.109 1.00 0.00 O ATOM 666 CG2 THR X 44 -12.573 -4.998 3.733 1.00 0.00 C ATOM 0 H THR X 44 -16.175 -2.472 3.721 1.00 0.00 H new ATOM 0 HA THR X 44 -14.694 -4.610 5.010 1.00 0.00 H new ATOM 0 HB THR X 44 -13.083 -3.025 3.047 1.00 0.00 H new ATOM 0 HG1 THR X 44 -13.608 -4.580 1.396 1.00 0.00 H new ATOM 0 HG21 THR X 44 -11.843 -5.165 2.941 1.00 0.00 H new ATOM 0 HG22 THR X 44 -12.063 -4.636 4.626 1.00 0.00 H new ATOM 0 HG23 THR X 44 -13.082 -5.934 3.961 1.00 0.00 H new ATOM 674 N TYR X 45 -13.205 -2.783 6.111 1.00 0.00 N ATOM 675 CA TYR X 45 -12.699 -1.733 6.985 1.00 0.00 C ATOM 676 C TYR X 45 -11.212 -1.503 6.737 1.00 0.00 C ATOM 677 O TYR X 45 -10.374 -2.312 7.140 1.00 0.00 O ATOM 678 CB TYR X 45 -12.926 -2.122 8.447 1.00 0.00 C ATOM 679 CG TYR X 45 -14.333 -2.646 8.609 1.00 0.00 C ATOM 680 CD1 TYR X 45 -15.421 -1.769 8.526 1.00 0.00 C ATOM 681 CD2 TYR X 45 -14.551 -4.011 8.839 1.00 0.00 C ATOM 682 CE1 TYR X 45 -16.726 -2.254 8.672 1.00 0.00 C ATOM 683 CE2 TYR X 45 -15.856 -4.496 8.984 1.00 0.00 C ATOM 684 CZ TYR X 45 -16.944 -3.618 8.902 1.00 0.00 C ATOM 685 OH TYR X 45 -18.231 -4.098 9.044 1.00 0.00 O ATOM 0 H TYR X 45 -12.750 -3.689 6.226 1.00 0.00 H new ATOM 0 HA TYR X 45 -13.236 -0.810 6.769 1.00 0.00 H new ATOM 0 HB2 TYR X 45 -12.205 -2.882 8.750 1.00 0.00 H new ATOM 0 HB3 TYR X 45 -12.770 -1.259 9.094 1.00 0.00 H new ATOM 0 HD1 TYR X 45 -15.253 -0.717 8.349 1.00 0.00 H new ATOM 0 HD2 TYR X 45 -13.712 -4.689 8.904 1.00 0.00 H new ATOM 0 HE1 TYR X 45 -17.564 -1.576 8.607 1.00 0.00 H new ATOM 0 HE2 TYR X 45 -16.024 -5.548 9.159 1.00 0.00 H new ATOM 0 HH TYR X 45 -18.204 -5.066 9.197 1.00 0.00 H new ATOM 695 N ASP X 46 -10.889 -0.399 6.071 1.00 0.00 N ATOM 696 CA ASP X 46 -9.497 -0.079 5.775 1.00 0.00 C ATOM 697 C ASP X 46 -8.932 0.880 6.818 1.00 0.00 C ATOM 698 O ASP X 46 -9.678 1.480 7.592 1.00 0.00 O ATOM 699 CB ASP X 46 -9.386 0.556 4.388 1.00 0.00 C ATOM 700 CG ASP X 46 -10.628 1.392 4.095 1.00 0.00 C ATOM 701 OD1 ASP X 46 -11.666 0.805 3.845 1.00 0.00 O ATOM 702 OD2 ASP X 46 -10.520 2.607 4.125 1.00 0.00 O ATOM 0 H ASP X 46 -11.565 0.284 5.729 1.00 0.00 H new ATOM 0 HA ASP X 46 -8.923 -1.005 5.798 1.00 0.00 H new ATOM 0 HB2 ASP X 46 -8.496 1.182 4.336 1.00 0.00 H new ATOM 0 HB3 ASP X 46 -9.274 -0.221 3.632 1.00 0.00 H new ATOM 707 N ASP X 47 -7.611 1.020 6.830 1.00 0.00 N ATOM 708 CA ASP X 47 -6.955 1.908 7.782 1.00 0.00 C ATOM 709 C ASP X 47 -6.211 3.023 7.051 1.00 0.00 C ATOM 710 O ASP X 47 -5.789 4.003 7.663 1.00 0.00 O ATOM 711 CB ASP X 47 -5.974 1.115 8.648 1.00 0.00 C ATOM 712 CG ASP X 47 -4.607 1.057 7.974 1.00 0.00 C ATOM 713 OD1 ASP X 47 -4.552 0.648 6.826 1.00 0.00 O ATOM 714 OD2 ASP X 47 -3.636 1.423 8.617 1.00 0.00 O ATOM 0 H ASP X 47 -6.977 0.534 6.196 1.00 0.00 H new ATOM 0 HA ASP X 47 -7.718 2.355 8.419 1.00 0.00 H new ATOM 0 HB2 ASP X 47 -5.885 1.581 9.629 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -6.352 0.105 8.808 1.00 0.00 H new ATOM 719 N ALA X 48 -6.054 2.867 5.739 1.00 0.00 N ATOM 720 CA ALA X 48 -5.358 3.871 4.941 1.00 0.00 C ATOM 721 C ALA X 48 -6.276 5.052 4.639 1.00 0.00 C ATOM 722 O ALA X 48 -5.833 6.200 4.606 1.00 0.00 O ATOM 723 CB ALA X 48 -4.872 3.253 3.628 1.00 0.00 C ATOM 0 H ALA X 48 -6.395 2.064 5.211 1.00 0.00 H new ATOM 0 HA ALA X 48 -4.502 4.229 5.513 1.00 0.00 H new ATOM 0 HB1 ALA X 48 -4.354 4.010 3.039 1.00 0.00 H new ATOM 0 HB2 ALA X 48 -4.189 2.431 3.843 1.00 0.00 H new ATOM 0 HB3 ALA X 48 -5.726 2.877 3.065 1.00 0.00 H new ATOM 729 N THR X 49 -7.556 4.766 4.418 1.00 0.00 N ATOM 730 CA THR X 49 -8.522 5.818 4.120 1.00 0.00 C ATOM 731 C THR X 49 -9.623 5.857 5.174 1.00 0.00 C ATOM 732 O THR X 49 -10.651 6.504 4.984 1.00 0.00 O ATOM 733 CB THR X 49 -9.145 5.586 2.740 1.00 0.00 C ATOM 734 OG1 THR X 49 -9.614 4.249 2.653 1.00 0.00 O ATOM 735 CG2 THR X 49 -8.098 5.833 1.653 1.00 0.00 C ATOM 0 H THR X 49 -7.946 3.824 4.439 1.00 0.00 H new ATOM 0 HA THR X 49 -7.996 6.773 4.126 1.00 0.00 H new ATOM 0 HB THR X 49 -9.978 6.275 2.599 1.00 0.00 H new ATOM 0 HG1 THR X 49 -9.620 3.846 3.546 1.00 0.00 H new ATOM 0 HG21 THR X 49 -8.545 5.667 0.673 1.00 0.00 H new ATOM 0 HG22 THR X 49 -7.740 6.860 1.719 1.00 0.00 H new ATOM 0 HG23 THR X 49 -7.262 5.148 1.791 1.00 0.00 H new ATOM 743 N LYS X 50 -9.403 5.158 6.284 1.00 0.00 N ATOM 744 CA LYS X 50 -10.392 5.122 7.356 1.00 0.00 C ATOM 745 C LYS X 50 -11.798 5.287 6.792 1.00 0.00 C ATOM 746 O LYS X 50 -12.651 5.932 7.402 1.00 0.00 O ATOM 747 CB LYS X 50 -10.115 6.240 8.362 1.00 0.00 C ATOM 748 CG LYS X 50 -8.643 6.642 8.292 1.00 0.00 C ATOM 749 CD LYS X 50 -8.355 7.709 9.349 1.00 0.00 C ATOM 750 CE LYS X 50 -7.215 8.606 8.869 1.00 0.00 C ATOM 751 NZ LYS X 50 -6.204 7.781 8.150 1.00 0.00 N ATOM 0 H LYS X 50 -8.559 4.615 6.464 1.00 0.00 H new ATOM 0 HA LYS X 50 -10.321 4.156 7.856 1.00 0.00 H new ATOM 0 HB2 LYS X 50 -10.748 7.101 8.147 1.00 0.00 H new ATOM 0 HB3 LYS X 50 -10.363 5.906 9.369 1.00 0.00 H new ATOM 0 HG2 LYS X 50 -8.009 5.771 8.457 1.00 0.00 H new ATOM 0 HG3 LYS X 50 -8.406 7.025 7.299 1.00 0.00 H new ATOM 0 HD2 LYS X 50 -9.249 8.305 9.532 1.00 0.00 H new ATOM 0 HD3 LYS X 50 -8.087 7.237 10.294 1.00 0.00 H new ATOM 0 HE2 LYS X 50 -7.602 9.383 8.209 1.00 0.00 H new ATOM 0 HE3 LYS X 50 -6.752 9.110 9.718 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 -5.277 8.251 8.194 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 -6.139 6.844 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 -6.489 7.671 7.156 1.00 0.00 H new ATOM 765 N THR X 51 -12.029 4.706 5.620 1.00 0.00 N ATOM 766 CA THR X 51 -13.335 4.799 4.977 1.00 0.00 C ATOM 767 C THR X 51 -13.825 3.420 4.550 1.00 0.00 C ATOM 768 O THR X 51 -13.028 2.532 4.248 1.00 0.00 O ATOM 769 CB THR X 51 -13.246 5.714 3.754 1.00 0.00 C ATOM 770 OG1 THR X 51 -14.556 6.072 3.337 1.00 0.00 O ATOM 771 CG2 THR X 51 -12.529 4.982 2.620 1.00 0.00 C ATOM 0 H THR X 51 -11.335 4.170 5.099 1.00 0.00 H new ATOM 0 HA THR X 51 -14.044 5.214 5.693 1.00 0.00 H new ATOM 0 HB THR X 51 -12.688 6.614 4.012 1.00 0.00 H new ATOM 0 HG1 THR X 51 -15.210 5.726 3.980 1.00 0.00 H new ATOM 0 HG21 THR X 51 -12.466 5.634 1.749 1.00 0.00 H new ATOM 0 HG22 THR X 51 -11.524 4.708 2.942 1.00 0.00 H new ATOM 0 HG23 THR X 51 -13.085 4.081 2.359 1.00 0.00 H new ATOM 779 N PHE X 52 -15.144 3.249 4.522 1.00 0.00 N ATOM 780 CA PHE X 52 -15.728 1.971 4.126 1.00 0.00 C ATOM 781 C PHE X 52 -16.360 2.086 2.744 1.00 0.00 C ATOM 782 O PHE X 52 -16.941 3.116 2.403 1.00 0.00 O ATOM 783 CB PHE X 52 -16.787 1.539 5.142 1.00 0.00 C ATOM 784 CG PHE X 52 -16.336 1.905 6.537 1.00 0.00 C ATOM 785 CD1 PHE X 52 -14.976 1.868 6.869 1.00 0.00 C ATOM 786 CD2 PHE X 52 -17.282 2.279 7.500 1.00 0.00 C ATOM 787 CE1 PHE X 52 -14.562 2.206 8.163 1.00 0.00 C ATOM 788 CE2 PHE X 52 -16.867 2.617 8.794 1.00 0.00 C ATOM 789 CZ PHE X 52 -15.508 2.580 9.126 1.00 0.00 C ATOM 0 H PHE X 52 -15.822 3.971 4.766 1.00 0.00 H new ATOM 0 HA PHE X 52 -14.936 1.222 4.094 1.00 0.00 H new ATOM 0 HB2 PHE X 52 -17.738 2.023 4.918 1.00 0.00 H new ATOM 0 HB3 PHE X 52 -16.953 0.464 5.074 1.00 0.00 H new ATOM 0 HD1 PHE X 52 -14.247 1.579 6.127 1.00 0.00 H new ATOM 0 HD2 PHE X 52 -18.331 2.307 7.245 1.00 0.00 H new ATOM 0 HE1 PHE X 52 -13.513 2.178 8.419 1.00 0.00 H new ATOM 0 HE2 PHE X 52 -17.596 2.906 9.536 1.00 0.00 H new ATOM 0 HZ PHE X 52 -15.189 2.840 10.124 1.00 0.00 H new ATOM 799 N THR X 53 -16.235 1.028 1.946 1.00 0.00 N ATOM 800 CA THR X 53 -16.794 1.038 0.599 1.00 0.00 C ATOM 801 C THR X 53 -17.669 -0.188 0.349 1.00 0.00 C ATOM 802 O THR X 53 -17.456 -1.246 0.941 1.00 0.00 O ATOM 803 CB THR X 53 -15.662 1.076 -0.430 1.00 0.00 C ATOM 804 OG1 THR X 53 -14.816 -0.052 -0.243 1.00 0.00 O ATOM 805 CG2 THR X 53 -14.849 2.360 -0.255 1.00 0.00 C ATOM 0 H THR X 53 -15.758 0.164 2.205 1.00 0.00 H new ATOM 0 HA THR X 53 -17.417 1.927 0.500 1.00 0.00 H new ATOM 0 HB THR X 53 -16.085 1.053 -1.434 1.00 0.00 H new ATOM 0 HG1 THR X 53 -14.091 -0.030 -0.902 1.00 0.00 H new ATOM 0 HG21 THR X 53 -14.044 2.384 -0.989 1.00 0.00 H new ATOM 0 HG22 THR X 53 -15.498 3.224 -0.400 1.00 0.00 H new ATOM 0 HG23 THR X 53 -14.425 2.388 0.749 1.00 0.00 H new ATOM 813 N VAL X 54 -18.649 -0.037 -0.541 1.00 0.00 N ATOM 814 CA VAL X 54 -19.546 -1.139 -0.875 1.00 0.00 C ATOM 815 C VAL X 54 -19.749 -1.229 -2.383 1.00 0.00 C ATOM 816 O VAL X 54 -20.159 -0.260 -3.022 1.00 0.00 O ATOM 817 CB VAL X 54 -20.901 -0.948 -0.195 1.00 0.00 C ATOM 818 CG1 VAL X 54 -21.744 -2.212 -0.374 1.00 0.00 C ATOM 819 CG2 VAL X 54 -20.690 -0.680 1.297 1.00 0.00 C ATOM 0 H VAL X 54 -18.840 0.832 -1.040 1.00 0.00 H new ATOM 0 HA VAL X 54 -19.090 -2.063 -0.520 1.00 0.00 H new ATOM 0 HB VAL X 54 -21.418 -0.101 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL X 54 -22.711 -2.076 0.111 1.00 0.00 H new ATOM 0 HG12 VAL X 54 -21.895 -2.401 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL X 54 -21.228 -3.060 0.076 1.00 0.00 H new ATOM 0 HG21 VAL X 54 -21.656 -0.544 1.782 1.00 0.00 H new ATOM 0 HG22 VAL X 54 -20.173 -1.526 1.749 1.00 0.00 H new ATOM 0 HG23 VAL X 54 -20.090 0.221 1.424 1.00 0.00 H new ATOM 829 N THR X 55 -19.464 -2.399 -2.946 1.00 0.00 N ATOM 830 CA THR X 55 -19.625 -2.602 -4.381 1.00 0.00 C ATOM 831 C THR X 55 -20.531 -3.797 -4.657 1.00 0.00 C ATOM 832 O THR X 55 -20.176 -4.933 -4.347 1.00 0.00 O ATOM 833 CB THR X 55 -18.261 -2.838 -5.030 1.00 0.00 C ATOM 834 OG1 THR X 55 -17.335 -1.875 -4.548 1.00 0.00 O ATOM 835 CG2 THR X 55 -18.390 -2.713 -6.549 1.00 0.00 C ATOM 0 H THR X 55 -19.123 -3.214 -2.436 1.00 0.00 H new ATOM 0 HA THR X 55 -20.082 -1.708 -4.805 1.00 0.00 H new ATOM 0 HB THR X 55 -17.906 -3.838 -4.779 1.00 0.00 H new ATOM 0 HG1 THR X 55 -16.460 -2.027 -4.962 1.00 0.00 H new ATOM 0 HG21 THR X 55 -17.418 -2.881 -7.012 1.00 0.00 H new ATOM 0 HG22 THR X 55 -19.100 -3.454 -6.916 1.00 0.00 H new ATOM 0 HG23 THR X 55 -18.745 -1.714 -6.803 1.00 0.00 H new ATOM 843 N GLU X 56 -21.694 -3.529 -5.249 1.00 0.00 N ATOM 844 CA GLU X 56 -22.649 -4.586 -5.573 1.00 0.00 C ATOM 845 C GLU X 56 -21.950 -5.938 -5.682 1.00 0.00 C ATOM 846 O GLU X 56 -20.943 -6.010 -6.364 1.00 0.00 O ATOM 847 CB GLU X 56 -23.351 -4.266 -6.895 1.00 0.00 C ATOM 848 CG GLU X 56 -22.306 -3.937 -7.964 1.00 0.00 C ATOM 849 CD GLU X 56 -22.104 -5.137 -8.882 1.00 0.00 C ATOM 850 OE1 GLU X 56 -23.057 -5.521 -9.541 1.00 0.00 O ATOM 851 OE2 GLU X 56 -21.000 -5.654 -8.915 1.00 0.00 O ATOM 852 OXT GLU X 56 -22.432 -6.881 -5.077 1.00 0.00 O ATOM 0 H GLU X 56 -21.997 -2.591 -5.513 1.00 0.00 H new ATOM 0 HA GLU X 56 -23.384 -4.638 -4.770 1.00 0.00 H new ATOM 0 HB2 GLU X 56 -23.956 -5.116 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU X 56 -24.030 -3.423 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU X 56 -22.628 -3.074 -8.546 1.00 0.00 H new ATOM 0 HG3 GLU X 56 -21.362 -3.668 -7.491 1.00 0.00 H new TER 859 GLU X 56