USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 793 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 GLN : amide:sc= 0.456 K(o=-1.1,f=-0.28) USER MOD Set 1.2: A 70 HIS : no HD1:sc= -1.54 K(o=-1.1,f=0.54) USER MOD Set 2.1: A 64 THR OG1 : rot 180:sc= 0.0074 USER MOD Set 2.2: A 66 GLN : amide:sc= 1.11 K(o=2.4,f=-3.3) USER MOD Set 2.3: A 69 TYR OH : rot -8:sc= 1.26 USER MOD Set 2.4: A 97 GLN : amide:sc= -0.0187 K(o=2.4,f=1) USER MOD Set 3.1: A 1 MET N :NH3+ -120:sc= -0.673 (180deg=-0.254) USER MOD Set 3.2: A 58 HIS : no HE2:sc= -0.156 X(o=-0.83,f=-0.59) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0146 K(o=-0.015,f=-0.81) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 16 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 28 SER OG : rot 37:sc= 0.872 USER MOD Single : A 32 CYS SG : rot 7:sc= -0.602 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 42 THR OG1 : rot 9:sc= 1.02 USER MOD Single : A 45 ASN : amide:sc= 0.265 X(o=0.27,f=-0.15) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0197) USER MOD Single : A 52 ASN : amide:sc= 0.499 K(o=0.5,f=-0.7) USER MOD Single : A 54 GLN : amide:sc= -0.0634 X(o=-0.063,f=-0.063) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot -120:sc= -0.437 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 77:sc= 0.919 USER MOD Single : A 98 GLN : amide:sc= 0.632 K(o=0.63,f=-1.3) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.573 -21.291 -8.007 1.00 1.00 N ATOM 2 CA MET A 1 2.958 -21.849 -9.323 1.00 1.00 C ATOM 3 C MET A 1 3.695 -20.886 -10.189 1.00 1.00 C ATOM 4 O MET A 1 4.505 -21.293 -11.021 1.00 1.00 O ATOM 5 CB MET A 1 1.710 -22.370 -10.054 1.00 1.00 C ATOM 6 CG MET A 1 0.953 -23.469 -9.305 1.00 1.00 C ATOM 7 SD MET A 1 1.931 -24.970 -8.994 1.00 1.00 S ATOM 8 CE MET A 1 0.614 -25.809 -8.068 1.00 1.00 C ATOM 0 H1 MET A 1 3.010 -21.855 -7.250 1.00 1.00 H new ATOM 0 H2 MET A 1 2.900 -20.306 -7.938 1.00 1.00 H new ATOM 0 H3 MET A 1 1.538 -21.320 -7.907 1.00 1.00 H new ATOM 0 HA MET A 1 3.649 -22.668 -9.122 1.00 1.00 H new ATOM 0 HB2 MET A 1 1.032 -21.535 -10.232 1.00 1.00 H new ATOM 0 HB3 MET A 1 2.008 -22.752 -11.030 1.00 1.00 H new ATOM 0 HG2 MET A 1 0.607 -23.071 -8.351 1.00 1.00 H new ATOM 0 HG3 MET A 1 0.066 -23.739 -9.878 1.00 1.00 H new ATOM 0 HE1 MET A 1 0.963 -26.791 -7.747 1.00 1.00 H new ATOM 0 HE2 MET A 1 0.349 -25.215 -7.194 1.00 1.00 H new ATOM 0 HE3 MET A 1 -0.262 -25.926 -8.706 1.00 1.00 H new ATOM 17 N ASN A 2 3.453 -19.571 -10.051 1.00 1.00 N ATOM 18 CA ASN A 2 4.066 -18.547 -10.840 1.00 1.00 C ATOM 19 C ASN A 2 4.862 -17.639 -9.967 1.00 1.00 C ATOM 20 O ASN A 2 4.661 -16.425 -9.938 1.00 1.00 O ATOM 21 CB ASN A 2 3.026 -17.739 -11.633 1.00 1.00 C ATOM 22 CG ASN A 2 2.372 -18.604 -12.702 1.00 1.00 C ATOM 23 OD1 ASN A 2 3.010 -19.442 -13.335 1.00 1.00 O ATOM 24 ND2 ASN A 2 1.050 -18.389 -12.943 1.00 1.00 N ATOM 0 H ASN A 2 2.800 -19.204 -9.358 1.00 1.00 H new ATOM 0 HA ASN A 2 4.726 -19.032 -11.559 1.00 1.00 H new ATOM 0 HB2 ASN A 2 2.265 -17.353 -10.955 1.00 1.00 H new ATOM 0 HB3 ASN A 2 3.505 -16.878 -12.098 1.00 1.00 H new ATOM 0 HD21 ASN A 2 0.568 -18.929 -13.662 1.00 1.00 H new ATOM 0 HD22 ASN A 2 0.541 -17.688 -12.405 1.00 1.00 H new ATOM 31 N ASP A 3 5.837 -18.202 -9.233 1.00 1.00 N ATOM 32 CA ASP A 3 6.717 -17.500 -8.352 1.00 1.00 C ATOM 33 C ASP A 3 7.633 -16.556 -9.052 1.00 1.00 C ATOM 34 O ASP A 3 7.883 -15.454 -8.568 1.00 1.00 O ATOM 35 CB ASP A 3 7.592 -18.477 -7.548 1.00 1.00 C ATOM 36 CG ASP A 3 6.776 -19.150 -6.453 1.00 1.00 C ATOM 37 OD1 ASP A 3 6.362 -18.442 -5.498 1.00 1.00 O ATOM 38 OD2 ASP A 3 6.606 -20.396 -6.525 1.00 1.00 O ATOM 0 H ASP A 3 6.022 -19.205 -9.256 1.00 1.00 H new ATOM 0 HA ASP A 3 6.058 -16.928 -7.698 1.00 1.00 H new ATOM 0 HB2 ASP A 3 8.010 -19.232 -8.214 1.00 1.00 H new ATOM 0 HB3 ASP A 3 8.432 -17.942 -7.106 1.00 1.00 H new ATOM 43 N SER A 4 8.164 -16.931 -10.230 1.00 1.00 N ATOM 44 CA SER A 4 9.072 -16.117 -10.976 1.00 1.00 C ATOM 45 C SER A 4 8.424 -14.863 -11.457 1.00 1.00 C ATOM 46 O SER A 4 8.984 -13.778 -11.308 1.00 1.00 O ATOM 47 CB SER A 4 9.705 -16.868 -12.159 1.00 1.00 C ATOM 48 OG SER A 4 10.822 -16.180 -12.700 1.00 1.00 O ATOM 0 H SER A 4 7.956 -17.825 -10.675 1.00 1.00 H new ATOM 0 HA SER A 4 9.871 -15.853 -10.283 1.00 1.00 H new ATOM 0 HB2 SER A 4 10.016 -17.860 -11.832 1.00 1.00 H new ATOM 0 HB3 SER A 4 8.956 -17.010 -12.938 1.00 1.00 H new ATOM 0 HG SER A 4 11.192 -16.694 -13.447 1.00 1.00 H new ATOM 54 N GLU A 5 7.185 -14.977 -11.967 1.00 1.00 N ATOM 55 CA GLU A 5 6.341 -13.875 -12.308 1.00 1.00 C ATOM 56 C GLU A 5 6.075 -12.984 -11.145 1.00 1.00 C ATOM 57 O GLU A 5 6.460 -11.816 -11.170 1.00 1.00 O ATOM 58 CB GLU A 5 4.994 -14.279 -12.933 1.00 1.00 C ATOM 59 CG GLU A 5 5.136 -15.057 -14.243 1.00 1.00 C ATOM 60 CD GLU A 5 3.948 -14.855 -15.173 1.00 1.00 C ATOM 61 OE1 GLU A 5 2.882 -15.504 -14.994 1.00 1.00 O ATOM 62 OE2 GLU A 5 4.099 -14.049 -16.131 1.00 1.00 O ATOM 0 H GLU A 5 6.751 -15.882 -12.150 1.00 1.00 H new ATOM 0 HA GLU A 5 6.913 -13.338 -13.065 1.00 1.00 H new ATOM 0 HB2 GLU A 5 4.439 -14.886 -12.218 1.00 1.00 H new ATOM 0 HB3 GLU A 5 4.404 -13.381 -13.115 1.00 1.00 H new ATOM 0 HG2 GLU A 5 6.048 -14.744 -14.751 1.00 1.00 H new ATOM 0 HG3 GLU A 5 5.243 -16.119 -14.021 1.00 1.00 H new ATOM 69 N PHE A 6 5.455 -13.487 -10.062 1.00 1.00 N ATOM 70 CA PHE A 6 5.166 -12.724 -8.887 1.00 1.00 C ATOM 71 C PHE A 6 6.321 -12.010 -8.274 1.00 1.00 C ATOM 72 O PHE A 6 6.181 -10.856 -7.875 1.00 1.00 O ATOM 73 CB PHE A 6 4.410 -13.636 -7.905 1.00 1.00 C ATOM 74 CG PHE A 6 3.416 -12.924 -7.055 1.00 1.00 C ATOM 75 CD1 PHE A 6 2.535 -12.016 -7.595 1.00 1.00 C ATOM 76 CD2 PHE A 6 3.341 -13.197 -5.710 1.00 1.00 C ATOM 77 CE1 PHE A 6 1.638 -11.344 -6.799 1.00 1.00 C ATOM 78 CE2 PHE A 6 2.434 -12.547 -4.906 1.00 1.00 C ATOM 79 CZ PHE A 6 1.586 -11.612 -5.450 1.00 1.00 C ATOM 0 H PHE A 6 5.145 -14.457 -10.002 1.00 1.00 H new ATOM 0 HA PHE A 6 4.536 -11.885 -9.183 1.00 1.00 H new ATOM 0 HB2 PHE A 6 3.897 -14.414 -8.470 1.00 1.00 H new ATOM 0 HB3 PHE A 6 5.133 -14.135 -7.259 1.00 1.00 H new ATOM 0 HD1 PHE A 6 2.548 -11.829 -8.659 1.00 1.00 H new ATOM 0 HD2 PHE A 6 4.004 -13.932 -5.278 1.00 1.00 H new ATOM 0 HE1 PHE A 6 0.976 -10.608 -7.231 1.00 1.00 H new ATOM 0 HE2 PHE A 6 2.388 -12.771 -3.850 1.00 1.00 H new ATOM 0 HZ PHE A 6 0.881 -11.089 -4.821 1.00 1.00 H new ATOM 89 N HIS A 7 7.527 -12.604 -8.241 1.00 1.00 N ATOM 90 CA HIS A 7 8.744 -11.953 -7.866 1.00 1.00 C ATOM 91 C HIS A 7 9.147 -10.801 -8.723 1.00 1.00 C ATOM 92 O HIS A 7 9.464 -9.725 -8.218 1.00 1.00 O ATOM 93 CB HIS A 7 9.939 -12.920 -7.836 1.00 1.00 C ATOM 94 CG HIS A 7 10.343 -13.309 -6.446 1.00 1.00 C ATOM 95 ND1 HIS A 7 10.944 -12.425 -5.591 1.00 1.00 N ATOM 96 CD2 HIS A 7 10.265 -14.500 -5.791 1.00 1.00 C ATOM 97 CE1 HIS A 7 11.225 -13.048 -4.461 1.00 1.00 C ATOM 98 NE2 HIS A 7 10.830 -14.304 -4.559 1.00 1.00 N ATOM 0 H HIS A 7 7.660 -13.585 -8.488 1.00 1.00 H new ATOM 0 HA HIS A 7 8.505 -11.574 -6.872 1.00 1.00 H new ATOM 0 HB2 HIS A 7 9.687 -13.818 -8.400 1.00 1.00 H new ATOM 0 HB3 HIS A 7 10.788 -12.456 -8.339 1.00 1.00 H new ATOM 0 HD2 HIS A 7 9.841 -15.419 -6.169 1.00 1.00 H new ATOM 0 HE1 HIS A 7 11.700 -12.603 -3.599 1.00 1.00 H new ATOM 0 HE2 HIS A 7 10.930 -15.014 -3.834 1.00 1.00 H new ATOM 106 N ARG A 8 9.176 -10.982 -10.055 1.00 1.00 N ATOM 107 CA ARG A 8 9.618 -9.995 -10.990 1.00 1.00 C ATOM 108 C ARG A 8 8.696 -8.826 -11.053 1.00 1.00 C ATOM 109 O ARG A 8 9.101 -7.668 -10.966 1.00 1.00 O ATOM 110 CB ARG A 8 9.780 -10.656 -12.369 1.00 1.00 C ATOM 111 CG ARG A 8 10.671 -9.887 -13.346 1.00 1.00 C ATOM 112 CD ARG A 8 11.268 -10.744 -14.464 1.00 1.00 C ATOM 113 NE ARG A 8 12.185 -11.715 -13.802 1.00 1.00 N ATOM 114 CZ ARG A 8 12.713 -12.829 -14.386 1.00 1.00 C ATOM 115 NH1 ARG A 8 12.694 -13.025 -15.737 1.00 1.00 N ATOM 116 NH2 ARG A 8 13.273 -13.776 -13.577 1.00 1.00 N ATOM 0 H ARG A 8 8.879 -11.851 -10.499 1.00 1.00 H new ATOM 0 HA ARG A 8 10.579 -9.603 -10.657 1.00 1.00 H new ATOM 0 HB2 ARG A 8 10.193 -11.655 -12.231 1.00 1.00 H new ATOM 0 HB3 ARG A 8 8.794 -10.778 -12.817 1.00 1.00 H new ATOM 0 HG2 ARG A 8 10.089 -9.082 -13.793 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.483 -9.421 -12.788 1.00 1.00 H new ATOM 0 HD2 ARG A 8 10.485 -11.263 -15.016 1.00 1.00 H new ATOM 0 HD3 ARG A 8 11.808 -10.126 -15.181 1.00 1.00 H new ATOM 0 HE ARG A 8 12.439 -11.531 -12.831 1.00 1.00 H new ATOM 0 HH11 ARG A 8 12.274 -12.324 -16.348 1.00 1.00 H new ATOM 0 HH12 ARG A 8 13.100 -13.872 -16.135 1.00 1.00 H new ATOM 0 HH21 ARG A 8 13.288 -13.639 -12.566 1.00 1.00 H new ATOM 0 HH22 ARG A 8 13.676 -14.620 -13.983 1.00 1.00 H new ATOM 130 N LEU A 9 7.385 -9.122 -11.115 1.00 1.00 N ATOM 131 CA LEU A 9 6.299 -8.196 -11.030 1.00 1.00 C ATOM 132 C LEU A 9 6.328 -7.353 -9.801 1.00 1.00 C ATOM 133 O LEU A 9 6.188 -6.136 -9.902 1.00 1.00 O ATOM 134 CB LEU A 9 4.967 -8.964 -11.078 1.00 1.00 C ATOM 135 CG LEU A 9 4.613 -9.569 -12.447 1.00 1.00 C ATOM 136 CD1 LEU A 9 3.373 -10.472 -12.330 1.00 1.00 C ATOM 137 CD2 LEU A 9 4.378 -8.505 -13.532 1.00 1.00 C ATOM 0 H LEU A 9 7.062 -10.082 -11.234 1.00 1.00 H new ATOM 0 HA LEU A 9 6.400 -7.522 -11.881 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.001 -9.766 -10.341 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.165 -8.289 -10.778 1.00 1.00 H new ATOM 0 HG LEU A 9 5.476 -10.159 -12.756 1.00 1.00 H new ATOM 0 HD11 LEU A 9 3.136 -10.892 -13.307 1.00 1.00 H new ATOM 0 HD12 LEU A 9 3.576 -11.280 -11.627 1.00 1.00 H new ATOM 0 HD13 LEU A 9 2.527 -9.884 -11.973 1.00 1.00 H new ATOM 0 HD21 LEU A 9 4.132 -8.994 -14.474 1.00 1.00 H new ATOM 0 HD22 LEU A 9 3.554 -7.857 -13.234 1.00 1.00 H new ATOM 0 HD23 LEU A 9 5.281 -7.908 -13.658 1.00 1.00 H new ATOM 149 N ALA A 10 6.573 -7.958 -8.625 1.00 1.00 N ATOM 150 CA ALA A 10 6.757 -7.289 -7.375 1.00 1.00 C ATOM 151 C ALA A 10 7.861 -6.288 -7.403 1.00 1.00 C ATOM 152 O ALA A 10 7.643 -5.112 -7.120 1.00 1.00 O ATOM 153 CB ALA A 10 7.105 -8.250 -6.226 1.00 1.00 C ATOM 0 H ALA A 10 6.647 -8.972 -8.543 1.00 1.00 H new ATOM 0 HA ALA A 10 5.795 -6.805 -7.207 1.00 1.00 H new ATOM 0 HB1 ALA A 10 7.233 -7.683 -5.304 1.00 1.00 H new ATOM 0 HB2 ALA A 10 6.299 -8.973 -6.099 1.00 1.00 H new ATOM 0 HB3 ALA A 10 8.031 -8.776 -6.459 1.00 1.00 H new ATOM 159 N ASP A 11 9.076 -6.723 -7.786 1.00 1.00 N ATOM 160 CA ASP A 11 10.256 -5.914 -7.790 1.00 1.00 C ATOM 161 C ASP A 11 10.100 -4.678 -8.605 1.00 1.00 C ATOM 162 O ASP A 11 10.443 -3.578 -8.178 1.00 1.00 O ATOM 163 CB ASP A 11 11.450 -6.755 -8.275 1.00 1.00 C ATOM 164 CG ASP A 11 12.631 -6.554 -7.335 1.00 1.00 C ATOM 165 OD1 ASP A 11 12.532 -7.007 -6.165 1.00 1.00 O ATOM 166 OD2 ASP A 11 13.642 -5.922 -7.745 1.00 1.00 O ATOM 0 H ASP A 11 9.243 -7.677 -8.106 1.00 1.00 H new ATOM 0 HA ASP A 11 10.439 -5.579 -6.769 1.00 1.00 H new ATOM 0 HB2 ASP A 11 11.175 -7.809 -8.310 1.00 1.00 H new ATOM 0 HB3 ASP A 11 11.725 -6.464 -9.289 1.00 1.00 H new ATOM 171 N GLN A 12 9.495 -4.822 -9.797 1.00 1.00 N ATOM 172 CA GLN A 12 9.145 -3.735 -10.658 1.00 1.00 C ATOM 173 C GLN A 12 8.141 -2.784 -10.102 1.00 1.00 C ATOM 174 O GLN A 12 8.400 -1.583 -10.058 1.00 1.00 O ATOM 175 CB GLN A 12 8.694 -4.252 -12.035 1.00 1.00 C ATOM 176 CG GLN A 12 9.812 -4.925 -12.834 1.00 1.00 C ATOM 177 CD GLN A 12 10.978 -3.977 -13.073 1.00 1.00 C ATOM 178 OE1 GLN A 12 12.058 -4.123 -12.500 1.00 1.00 O ATOM 179 NE2 GLN A 12 10.748 -2.944 -13.927 1.00 1.00 N ATOM 0 H GLN A 12 9.239 -5.733 -10.177 1.00 1.00 H new ATOM 0 HA GLN A 12 10.061 -3.154 -10.760 1.00 1.00 H new ATOM 0 HB2 GLN A 12 7.879 -4.963 -11.898 1.00 1.00 H new ATOM 0 HB3 GLN A 12 8.296 -3.419 -12.614 1.00 1.00 H new ATOM 0 HG2 GLN A 12 10.163 -5.807 -12.298 1.00 1.00 H new ATOM 0 HG3 GLN A 12 9.420 -5.269 -13.791 1.00 1.00 H new ATOM 0 HE21 GLN A 12 9.841 -2.853 -14.385 1.00 1.00 H new ATOM 0 HE22 GLN A 12 11.482 -2.260 -14.110 1.00 1.00 H new ATOM 188 N LEU A 13 6.963 -3.243 -9.644 1.00 1.00 N ATOM 189 CA LEU A 13 5.932 -2.389 -9.141 1.00 1.00 C ATOM 190 C LEU A 13 6.295 -1.660 -7.892 1.00 1.00 C ATOM 191 O LEU A 13 6.156 -0.441 -7.817 1.00 1.00 O ATOM 192 CB LEU A 13 4.592 -3.137 -9.050 1.00 1.00 C ATOM 193 CG LEU A 13 4.311 -4.146 -7.923 1.00 1.00 C ATOM 194 CD1 LEU A 13 3.669 -3.486 -6.691 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.358 -5.249 -8.414 1.00 1.00 C ATOM 0 H LEU A 13 6.721 -4.234 -9.623 1.00 1.00 H new ATOM 0 HA LEU A 13 5.808 -1.591 -9.873 1.00 1.00 H new ATOM 0 HB2 LEU A 13 3.809 -2.380 -9.000 1.00 1.00 H new ATOM 0 HB3 LEU A 13 4.461 -3.669 -9.992 1.00 1.00 H new ATOM 0 HG LEU A 13 5.278 -4.562 -7.639 1.00 1.00 H new ATOM 0 HD11 LEU A 13 3.491 -4.241 -5.925 1.00 1.00 H new ATOM 0 HD12 LEU A 13 4.338 -2.721 -6.298 1.00 1.00 H new ATOM 0 HD13 LEU A 13 2.722 -3.028 -6.976 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.170 -5.954 -7.604 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.416 -4.801 -8.732 1.00 1.00 H new ATOM 0 HD23 LEU A 13 3.812 -5.774 -9.255 1.00 1.00 H new ATOM 207 N TRP A 14 6.861 -2.378 -6.905 1.00 1.00 N ATOM 208 CA TRP A 14 7.392 -1.879 -5.675 1.00 1.00 C ATOM 209 C TRP A 14 8.384 -0.782 -5.859 1.00 1.00 C ATOM 210 O TRP A 14 8.286 0.277 -5.241 1.00 1.00 O ATOM 211 CB TRP A 14 8.101 -2.992 -4.884 1.00 1.00 C ATOM 212 CG TRP A 14 7.233 -4.025 -4.207 1.00 1.00 C ATOM 213 CD1 TRP A 14 5.900 -4.009 -3.916 1.00 1.00 C ATOM 214 CD2 TRP A 14 7.772 -5.194 -3.562 1.00 1.00 C ATOM 215 NE1 TRP A 14 5.578 -5.058 -3.096 1.00 1.00 N ATOM 216 CE2 TRP A 14 6.718 -5.788 -2.857 1.00 1.00 C ATOM 217 CE3 TRP A 14 9.036 -5.715 -3.510 1.00 1.00 C ATOM 218 CZ2 TRP A 14 6.935 -6.889 -2.074 1.00 1.00 C ATOM 219 CZ3 TRP A 14 9.233 -6.843 -2.749 1.00 1.00 C ATOM 220 CH2 TRP A 14 8.205 -7.416 -2.037 1.00 1.00 C ATOM 0 H TRP A 14 6.954 -3.391 -6.975 1.00 1.00 H new ATOM 0 HA TRP A 14 6.526 -1.493 -5.136 1.00 1.00 H new ATOM 0 HB2 TRP A 14 8.775 -3.512 -5.565 1.00 1.00 H new ATOM 0 HB3 TRP A 14 8.721 -2.521 -4.121 1.00 1.00 H new ATOM 0 HD1 TRP A 14 5.198 -3.273 -4.281 1.00 1.00 H new ATOM 0 HE1 TRP A 14 4.650 -5.263 -2.726 1.00 1.00 H new ATOM 0 HE3 TRP A 14 9.852 -5.256 -4.049 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 6.133 -7.331 -1.502 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 10.216 -7.289 -2.709 1.00 1.00 H new ATOM 0 HH2 TRP A 14 8.398 -8.294 -1.439 1.00 1.00 H new ATOM 231 N LEU A 15 9.379 -0.997 -6.738 1.00 1.00 N ATOM 232 CA LEU A 15 10.374 -0.024 -7.061 1.00 1.00 C ATOM 233 C LEU A 15 9.796 1.216 -7.652 1.00 1.00 C ATOM 234 O LEU A 15 10.067 2.329 -7.202 1.00 1.00 O ATOM 235 CB LEU A 15 11.387 -0.646 -8.038 1.00 1.00 C ATOM 236 CG LEU A 15 12.591 0.233 -8.415 1.00 1.00 C ATOM 237 CD1 LEU A 15 13.388 0.646 -7.166 1.00 1.00 C ATOM 238 CD2 LEU A 15 13.504 -0.512 -9.405 1.00 1.00 C ATOM 0 H LEU A 15 9.494 -1.877 -7.240 1.00 1.00 H new ATOM 0 HA LEU A 15 10.865 0.268 -6.133 1.00 1.00 H new ATOM 0 HB2 LEU A 15 11.762 -1.572 -7.601 1.00 1.00 H new ATOM 0 HB3 LEU A 15 10.860 -0.916 -8.953 1.00 1.00 H new ATOM 0 HG LEU A 15 12.213 1.138 -8.891 1.00 1.00 H new ATOM 0 HD11 LEU A 15 14.233 1.267 -7.463 1.00 1.00 H new ATOM 0 HD12 LEU A 15 12.743 1.210 -6.492 1.00 1.00 H new ATOM 0 HD13 LEU A 15 13.754 -0.246 -6.656 1.00 1.00 H new ATOM 0 HD21 LEU A 15 14.353 0.121 -9.664 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.865 -1.432 -8.946 1.00 1.00 H new ATOM 0 HD23 LEU A 15 12.942 -0.753 -10.307 1.00 1.00 H new ATOM 250 N THR A 16 8.925 1.050 -8.663 1.00 1.00 N ATOM 251 CA THR A 16 8.275 2.098 -9.389 1.00 1.00 C ATOM 252 C THR A 16 7.450 2.989 -8.525 1.00 1.00 C ATOM 253 O THR A 16 7.635 4.205 -8.535 1.00 1.00 O ATOM 254 CB THR A 16 7.443 1.578 -10.524 1.00 1.00 C ATOM 255 OG1 THR A 16 8.224 0.744 -11.368 1.00 1.00 O ATOM 256 CG2 THR A 16 6.933 2.718 -11.420 1.00 1.00 C ATOM 0 H THR A 16 8.657 0.123 -8.995 1.00 1.00 H new ATOM 0 HA THR A 16 9.088 2.696 -9.800 1.00 1.00 H new ATOM 0 HB THR A 16 6.611 1.038 -10.071 1.00 1.00 H new ATOM 0 HG1 THR A 16 8.347 -0.130 -10.941 1.00 1.00 H new ATOM 0 HG21 THR A 16 6.334 2.303 -12.231 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.321 3.399 -10.829 1.00 1.00 H new ATOM 0 HG23 THR A 16 7.782 3.261 -11.836 1.00 1.00 H new ATOM 264 N ILE A 17 6.525 2.435 -7.720 1.00 1.00 N ATOM 265 CA ILE A 17 5.725 3.131 -6.761 1.00 1.00 C ATOM 266 C ILE A 17 6.511 3.875 -5.735 1.00 1.00 C ATOM 267 O ILE A 17 6.310 5.078 -5.585 1.00 1.00 O ATOM 268 CB ILE A 17 4.710 2.236 -6.116 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.773 1.630 -7.176 1.00 1.00 C ATOM 270 CG2 ILE A 17 3.870 3.012 -5.089 1.00 1.00 C ATOM 271 CD1 ILE A 17 2.905 0.491 -6.646 1.00 1.00 C ATOM 0 H ILE A 17 6.324 1.435 -7.742 1.00 1.00 H new ATOM 0 HA ILE A 17 5.195 3.888 -7.340 1.00 1.00 H new ATOM 0 HB ILE A 17 5.250 1.437 -5.607 1.00 1.00 H new ATOM 0 HG12 ILE A 17 3.127 2.415 -7.569 1.00 1.00 H new ATOM 0 HG13 ILE A 17 4.371 1.262 -8.010 1.00 1.00 H new ATOM 0 HG21 ILE A 17 3.141 2.342 -4.634 1.00 1.00 H new ATOM 0 HG22 ILE A 17 4.523 3.416 -4.315 1.00 1.00 H new ATOM 0 HG23 ILE A 17 3.350 3.830 -5.588 1.00 1.00 H new ATOM 0 HD11 ILE A 17 2.271 0.113 -7.448 1.00 1.00 H new ATOM 0 HD12 ILE A 17 3.543 -0.313 -6.279 1.00 1.00 H new ATOM 0 HD13 ILE A 17 2.280 0.858 -5.832 1.00 1.00 H new ATOM 283 N GLU A 18 7.447 3.236 -5.008 1.00 1.00 N ATOM 284 CA GLU A 18 8.206 3.871 -3.977 1.00 1.00 C ATOM 285 C GLU A 18 9.015 5.021 -4.470 1.00 1.00 C ATOM 286 O GLU A 18 8.970 6.123 -3.926 1.00 1.00 O ATOM 287 CB GLU A 18 9.159 2.884 -3.284 1.00 1.00 C ATOM 288 CG GLU A 18 9.806 3.387 -1.991 1.00 1.00 C ATOM 289 CD GLU A 18 11.086 2.659 -1.606 1.00 1.00 C ATOM 290 OE1 GLU A 18 11.502 1.694 -2.302 1.00 1.00 O ATOM 291 OE2 GLU A 18 11.735 3.103 -0.621 1.00 1.00 O ATOM 0 H GLU A 18 7.681 2.252 -5.142 1.00 1.00 H new ATOM 0 HA GLU A 18 7.463 4.241 -3.270 1.00 1.00 H new ATOM 0 HB2 GLU A 18 8.608 1.970 -3.062 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.950 2.617 -3.985 1.00 1.00 H new ATOM 0 HG2 GLU A 18 10.024 4.450 -2.097 1.00 1.00 H new ATOM 0 HG3 GLU A 18 9.088 3.289 -1.177 1.00 1.00 H new ATOM 298 N GLU A 19 9.757 4.813 -5.574 1.00 1.00 N ATOM 299 CA GLU A 19 10.566 5.799 -6.218 1.00 1.00 C ATOM 300 C GLU A 19 9.818 7.011 -6.655 1.00 1.00 C ATOM 301 O GLU A 19 10.225 8.135 -6.367 1.00 1.00 O ATOM 302 CB GLU A 19 11.296 5.185 -7.425 1.00 1.00 C ATOM 303 CG GLU A 19 12.237 6.141 -8.165 1.00 1.00 C ATOM 304 CD GLU A 19 12.877 5.496 -9.387 1.00 1.00 C ATOM 305 OE1 GLU A 19 12.143 4.892 -10.215 1.00 1.00 O ATOM 306 OE2 GLU A 19 14.118 5.616 -9.563 1.00 1.00 O ATOM 0 H GLU A 19 9.793 3.907 -6.041 1.00 1.00 H new ATOM 0 HA GLU A 19 11.280 6.130 -5.464 1.00 1.00 H new ATOM 0 HB2 GLU A 19 11.871 4.324 -7.084 1.00 1.00 H new ATOM 0 HB3 GLU A 19 10.553 4.813 -8.130 1.00 1.00 H new ATOM 0 HG2 GLU A 19 11.681 7.026 -8.474 1.00 1.00 H new ATOM 0 HG3 GLU A 19 13.019 6.477 -7.484 1.00 1.00 H new ATOM 313 N ARG A 20 8.676 6.832 -7.343 1.00 1.00 N ATOM 314 CA ARG A 20 7.893 7.910 -7.862 1.00 1.00 C ATOM 315 C ARG A 20 7.190 8.684 -6.801 1.00 1.00 C ATOM 316 O ARG A 20 6.972 9.888 -6.937 1.00 1.00 O ATOM 317 CB ARG A 20 6.894 7.409 -8.918 1.00 1.00 C ATOM 318 CG ARG A 20 6.827 8.237 -10.203 1.00 1.00 C ATOM 319 CD ARG A 20 6.305 9.669 -10.075 1.00 1.00 C ATOM 320 NE ARG A 20 6.333 10.228 -11.455 1.00 1.00 N ATOM 321 CZ ARG A 20 5.241 10.640 -12.164 1.00 1.00 C ATOM 322 NH1 ARG A 20 3.985 10.726 -11.636 1.00 1.00 N ATOM 323 NH2 ARG A 20 5.390 10.990 -13.474 1.00 1.00 N ATOM 0 H ARG A 20 8.286 5.911 -7.544 1.00 1.00 H new ATOM 0 HA ARG A 20 8.595 8.595 -8.337 1.00 1.00 H new ATOM 0 HB2 ARG A 20 7.152 6.383 -9.180 1.00 1.00 H new ATOM 0 HB3 ARG A 20 5.901 7.383 -8.470 1.00 1.00 H new ATOM 0 HG2 ARG A 20 7.828 8.278 -10.633 1.00 1.00 H new ATOM 0 HG3 ARG A 20 6.195 7.707 -10.916 1.00 1.00 H new ATOM 0 HD2 ARG A 20 5.295 9.683 -9.666 1.00 1.00 H new ATOM 0 HD3 ARG A 20 6.930 10.256 -9.401 1.00 1.00 H new ATOM 0 HE ARG A 20 7.243 10.310 -11.908 1.00 1.00 H new ATOM 0 HH11 ARG A 20 3.824 10.475 -10.661 1.00 1.00 H new ATOM 0 HH12 ARG A 20 3.208 11.041 -12.217 1.00 1.00 H new ATOM 0 HH21 ARG A 20 6.309 10.942 -13.913 1.00 1.00 H new ATOM 0 HH22 ARG A 20 4.582 11.299 -14.014 1.00 1.00 H new ATOM 337 N LEU A 21 6.834 8.040 -5.675 1.00 1.00 N ATOM 338 CA LEU A 21 6.318 8.700 -4.516 1.00 1.00 C ATOM 339 C LEU A 21 7.331 9.568 -3.853 1.00 1.00 C ATOM 340 O LEU A 21 7.082 10.742 -3.588 1.00 1.00 O ATOM 341 CB LEU A 21 5.801 7.686 -3.482 1.00 1.00 C ATOM 342 CG LEU A 21 5.059 8.326 -2.296 1.00 1.00 C ATOM 343 CD1 LEU A 21 3.548 8.419 -2.568 1.00 1.00 C ATOM 344 CD2 LEU A 21 5.363 7.568 -0.994 1.00 1.00 C ATOM 0 H LEU A 21 6.908 7.028 -5.568 1.00 1.00 H new ATOM 0 HA LEU A 21 5.499 9.325 -4.873 1.00 1.00 H new ATOM 0 HB2 LEU A 21 5.132 6.984 -3.980 1.00 1.00 H new ATOM 0 HB3 LEU A 21 6.644 7.109 -3.102 1.00 1.00 H new ATOM 0 HG LEU A 21 5.422 9.346 -2.175 1.00 1.00 H new ATOM 0 HD11 LEU A 21 3.052 8.875 -1.712 1.00 1.00 H new ATOM 0 HD12 LEU A 21 3.375 9.028 -3.455 1.00 1.00 H new ATOM 0 HD13 LEU A 21 3.145 7.419 -2.730 1.00 1.00 H new ATOM 0 HD21 LEU A 21 4.829 8.036 -0.167 1.00 1.00 H new ATOM 0 HD22 LEU A 21 5.041 6.531 -1.093 1.00 1.00 H new ATOM 0 HD23 LEU A 21 6.435 7.598 -0.797 1.00 1.00 H new ATOM 356 N ASP A 22 8.532 9.032 -3.567 1.00 1.00 N ATOM 357 CA ASP A 22 9.579 9.727 -2.887 1.00 1.00 C ATOM 358 C ASP A 22 10.063 10.921 -3.635 1.00 1.00 C ATOM 359 O ASP A 22 10.355 11.966 -3.056 1.00 1.00 O ATOM 360 CB ASP A 22 10.718 8.738 -2.582 1.00 1.00 C ATOM 361 CG ASP A 22 11.608 9.237 -1.453 1.00 1.00 C ATOM 362 OD1 ASP A 22 11.117 9.340 -0.297 1.00 1.00 O ATOM 363 OD2 ASP A 22 12.814 9.512 -1.690 1.00 1.00 O ATOM 0 H ASP A 22 8.782 8.076 -3.820 1.00 1.00 H new ATOM 0 HA ASP A 22 9.180 10.120 -1.952 1.00 1.00 H new ATOM 0 HB2 ASP A 22 10.297 7.769 -2.313 1.00 1.00 H new ATOM 0 HB3 ASP A 22 11.318 8.586 -3.479 1.00 1.00 H new ATOM 368 N ASP A 23 10.118 10.846 -4.977 1.00 1.00 N ATOM 369 CA ASP A 23 10.513 11.931 -5.821 1.00 1.00 C ATOM 370 C ASP A 23 9.381 12.789 -6.268 1.00 1.00 C ATOM 371 O ASP A 23 9.472 13.488 -7.276 1.00 1.00 O ATOM 372 CB ASP A 23 11.242 11.318 -7.029 1.00 1.00 C ATOM 373 CG ASP A 23 12.233 12.250 -7.713 1.00 1.00 C ATOM 374 OD1 ASP A 23 12.500 13.378 -7.218 1.00 1.00 O ATOM 375 OD2 ASP A 23 12.773 11.838 -8.772 1.00 1.00 O ATOM 0 H ASP A 23 9.879 9.999 -5.493 1.00 1.00 H new ATOM 0 HA ASP A 23 11.160 12.599 -5.252 1.00 1.00 H new ATOM 0 HB2 ASP A 23 11.772 10.424 -6.701 1.00 1.00 H new ATOM 0 HB3 ASP A 23 10.500 10.999 -7.761 1.00 1.00 H new ATOM 380 N TRP A 24 8.235 12.805 -5.564 1.00 1.00 N ATOM 381 CA TRP A 24 7.107 13.597 -5.945 1.00 1.00 C ATOM 382 C TRP A 24 7.173 15.005 -5.461 1.00 1.00 C ATOM 383 O TRP A 24 7.142 15.939 -6.261 1.00 1.00 O ATOM 384 CB TRP A 24 5.804 12.921 -5.486 1.00 1.00 C ATOM 385 CG TRP A 24 4.511 13.519 -5.984 1.00 1.00 C ATOM 386 CD1 TRP A 24 3.464 14.005 -5.254 1.00 1.00 C ATOM 387 CD2 TRP A 24 4.130 13.639 -7.368 1.00 1.00 C ATOM 388 NE1 TRP A 24 2.441 14.376 -6.088 1.00 1.00 N ATOM 389 CE2 TRP A 24 2.841 14.183 -7.390 1.00 1.00 C ATOM 390 CE3 TRP A 24 4.774 13.320 -8.532 1.00 1.00 C ATOM 391 CZ2 TRP A 24 2.201 14.426 -8.575 1.00 1.00 C ATOM 392 CZ3 TRP A 24 4.129 13.586 -9.717 1.00 1.00 C ATOM 393 CH2 TRP A 24 2.864 14.124 -9.740 1.00 1.00 C ATOM 0 H TRP A 24 8.089 12.258 -4.715 1.00 1.00 H new ATOM 0 HA TRP A 24 7.124 13.656 -7.033 1.00 1.00 H new ATOM 0 HB2 TRP A 24 5.836 11.877 -5.797 1.00 1.00 H new ATOM 0 HB3 TRP A 24 5.784 12.929 -4.396 1.00 1.00 H new ATOM 0 HD1 TRP A 24 3.445 14.085 -4.177 1.00 1.00 H new ATOM 0 HE1 TRP A 24 1.534 14.736 -5.792 1.00 1.00 H new ATOM 0 HE3 TRP A 24 5.757 12.874 -8.521 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 1.205 14.843 -8.594 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 4.627 13.367 -10.650 1.00 1.00 H new ATOM 0 HH2 TRP A 24 2.384 14.312 -10.689 1.00 1.00 H new ATOM 404 N ASP A 25 7.245 15.193 -4.131 1.00 1.00 N ATOM 405 CA ASP A 25 7.243 16.446 -3.442 1.00 1.00 C ATOM 406 C ASP A 25 5.942 17.163 -3.561 1.00 1.00 C ATOM 407 O ASP A 25 4.885 16.572 -3.345 1.00 1.00 O ATOM 408 CB ASP A 25 8.503 17.260 -3.774 1.00 1.00 C ATOM 409 CG ASP A 25 8.858 18.274 -2.695 1.00 1.00 C ATOM 410 OD1 ASP A 25 9.211 17.845 -1.565 1.00 1.00 O ATOM 411 OD2 ASP A 25 8.793 19.502 -2.968 1.00 1.00 O ATOM 0 H ASP A 25 7.310 14.404 -3.487 1.00 1.00 H new ATOM 0 HA ASP A 25 7.314 16.260 -2.370 1.00 1.00 H new ATOM 0 HB2 ASP A 25 9.342 16.579 -3.915 1.00 1.00 H new ATOM 0 HB3 ASP A 25 8.353 17.781 -4.720 1.00 1.00 H new ATOM 416 N GLY A 26 5.945 18.465 -3.900 1.00 1.00 N ATOM 417 CA GLY A 26 4.763 19.239 -4.123 1.00 1.00 C ATOM 418 C GLY A 26 4.306 19.955 -2.900 1.00 1.00 C ATOM 419 O GLY A 26 5.100 20.504 -2.138 1.00 1.00 O ATOM 0 H GLY A 26 6.805 19.000 -4.024 1.00 1.00 H new ATOM 0 HA2 GLY A 26 4.952 19.964 -4.914 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.966 18.584 -4.475 1.00 1.00 H new ATOM 423 N ASP A 27 2.985 19.976 -2.644 1.00 1.00 N ATOM 424 CA ASP A 27 2.417 20.489 -1.437 1.00 1.00 C ATOM 425 C ASP A 27 2.482 19.453 -0.369 1.00 1.00 C ATOM 426 O ASP A 27 2.538 19.742 0.826 1.00 1.00 O ATOM 427 CB ASP A 27 0.962 20.913 -1.702 1.00 1.00 C ATOM 428 CG ASP A 27 0.803 22.422 -1.582 1.00 1.00 C ATOM 429 OD1 ASP A 27 1.455 23.160 -2.369 1.00 1.00 O ATOM 430 OD2 ASP A 27 0.024 22.886 -0.708 1.00 1.00 O ATOM 0 H ASP A 27 2.289 19.623 -3.301 1.00 1.00 H new ATOM 0 HA ASP A 27 2.981 21.360 -1.102 1.00 1.00 H new ATOM 0 HB2 ASP A 27 0.661 20.590 -2.699 1.00 1.00 H new ATOM 0 HB3 ASP A 27 0.300 20.416 -0.993 1.00 1.00 H new ATOM 435 N SER A 28 2.502 18.177 -0.794 1.00 1.00 N ATOM 436 CA SER A 28 2.669 17.013 0.018 1.00 1.00 C ATOM 437 C SER A 28 4.065 16.783 0.486 1.00 1.00 C ATOM 438 O SER A 28 5.052 16.997 -0.216 1.00 1.00 O ATOM 439 CB SER A 28 2.200 15.739 -0.707 1.00 1.00 C ATOM 440 OG SER A 28 2.600 15.711 -2.068 1.00 1.00 O ATOM 0 H SER A 28 2.393 17.944 -1.781 1.00 1.00 H new ATOM 0 HA SER A 28 2.049 17.215 0.891 1.00 1.00 H new ATOM 0 HB2 SER A 28 2.602 14.865 -0.195 1.00 1.00 H new ATOM 0 HB3 SER A 28 1.114 15.671 -0.649 1.00 1.00 H new ATOM 0 HG SER A 28 3.492 16.107 -2.155 1.00 1.00 H new ATOM 446 N ASP A 29 4.184 16.267 1.722 1.00 1.00 N ATOM 447 CA ASP A 29 5.359 15.647 2.250 1.00 1.00 C ATOM 448 C ASP A 29 5.047 14.190 2.219 1.00 1.00 C ATOM 449 O ASP A 29 3.911 13.790 2.463 1.00 1.00 O ATOM 450 CB ASP A 29 5.638 16.217 3.651 1.00 1.00 C ATOM 451 CG ASP A 29 7.041 15.864 4.126 1.00 1.00 C ATOM 452 OD1 ASP A 29 8.007 16.612 3.825 1.00 1.00 O ATOM 453 OD2 ASP A 29 7.184 14.812 4.804 1.00 1.00 O ATOM 0 H ASP A 29 3.415 16.284 2.391 1.00 1.00 H new ATOM 0 HA ASP A 29 6.275 15.834 1.689 1.00 1.00 H new ATOM 0 HB2 ASP A 29 5.520 17.300 3.635 1.00 1.00 H new ATOM 0 HB3 ASP A 29 4.905 15.827 4.357 1.00 1.00 H new ATOM 458 N ILE A 30 6.020 13.349 1.821 1.00 1.00 N ATOM 459 CA ILE A 30 5.791 12.037 1.302 1.00 1.00 C ATOM 460 C ILE A 30 6.912 11.155 1.728 1.00 1.00 C ATOM 461 O ILE A 30 8.073 11.323 1.354 1.00 1.00 O ATOM 462 CB ILE A 30 5.601 11.969 -0.184 1.00 1.00 C ATOM 463 CG1 ILE A 30 6.211 13.119 -1.004 1.00 1.00 C ATOM 464 CG2 ILE A 30 4.089 11.893 -0.461 1.00 1.00 C ATOM 465 CD1 ILE A 30 7.737 13.128 -1.062 1.00 1.00 C ATOM 0 H ILE A 30 7.009 13.595 1.863 1.00 1.00 H new ATOM 0 HA ILE A 30 4.841 11.699 1.715 1.00 1.00 H new ATOM 0 HB ILE A 30 6.147 11.085 -0.514 1.00 1.00 H new ATOM 0 HG12 ILE A 30 5.824 13.066 -2.021 1.00 1.00 H new ATOM 0 HG13 ILE A 30 5.872 14.066 -0.583 1.00 1.00 H new ATOM 0 HG21 ILE A 30 3.918 11.842 -1.536 1.00 1.00 H new ATOM 0 HG22 ILE A 30 3.676 11.003 0.014 1.00 1.00 H new ATOM 0 HG23 ILE A 30 3.600 12.780 -0.057 1.00 1.00 H new ATOM 0 HD11 ILE A 30 8.073 13.974 -1.661 1.00 1.00 H new ATOM 0 HD12 ILE A 30 8.139 13.216 -0.053 1.00 1.00 H new ATOM 0 HD13 ILE A 30 8.089 12.201 -1.513 1.00 1.00 H new ATOM 477 N ASP A 31 6.579 10.145 2.553 1.00 1.00 N ATOM 478 CA ASP A 31 7.450 9.062 2.886 1.00 1.00 C ATOM 479 C ASP A 31 6.760 7.772 2.607 1.00 1.00 C ATOM 480 O ASP A 31 5.559 7.622 2.831 1.00 1.00 O ATOM 481 CB ASP A 31 7.814 9.103 4.380 1.00 1.00 C ATOM 482 CG ASP A 31 8.811 10.224 4.641 1.00 1.00 C ATOM 483 OD1 ASP A 31 10.012 10.033 4.310 1.00 1.00 O ATOM 484 OD2 ASP A 31 8.431 11.269 5.233 1.00 1.00 O ATOM 0 H ASP A 31 5.667 10.081 3.005 1.00 1.00 H new ATOM 0 HA ASP A 31 8.357 9.151 2.288 1.00 1.00 H new ATOM 0 HB2 ASP A 31 6.916 9.257 4.978 1.00 1.00 H new ATOM 0 HB3 ASP A 31 8.240 8.147 4.686 1.00 1.00 H new ATOM 489 N CYS A 32 7.484 6.746 2.125 1.00 1.00 N ATOM 490 CA CYS A 32 7.020 5.393 2.119 1.00 1.00 C ATOM 491 C CYS A 32 7.812 4.625 3.120 1.00 1.00 C ATOM 492 O CYS A 32 8.975 4.921 3.387 1.00 1.00 O ATOM 493 CB CYS A 32 7.177 4.731 0.739 1.00 1.00 C ATOM 494 SG CYS A 32 6.302 3.149 0.549 1.00 1.00 S ATOM 0 H CYS A 32 8.417 6.860 1.729 1.00 1.00 H new ATOM 0 HA CYS A 32 5.958 5.393 2.364 1.00 1.00 H new ATOM 0 HB2 CYS A 32 6.818 5.423 -0.023 1.00 1.00 H new ATOM 0 HB3 CYS A 32 8.238 4.569 0.548 1.00 1.00 H new ATOM 0 HG CYS A 32 5.559 2.936 1.594 1.00 1.00 H new ATOM 500 N GLU A 33 7.208 3.588 3.727 1.00 1.00 N ATOM 501 CA GLU A 33 7.857 2.720 4.658 1.00 1.00 C ATOM 502 C GLU A 33 7.943 1.364 4.045 1.00 1.00 C ATOM 503 O GLU A 33 7.016 0.944 3.356 1.00 1.00 O ATOM 504 CB GLU A 33 7.075 2.610 5.978 1.00 1.00 C ATOM 505 CG GLU A 33 6.517 3.953 6.455 1.00 1.00 C ATOM 506 CD GLU A 33 5.895 3.870 7.842 1.00 1.00 C ATOM 507 OE1 GLU A 33 4.877 3.151 8.023 1.00 1.00 O ATOM 508 OE2 GLU A 33 6.414 4.553 8.766 1.00 1.00 O ATOM 0 H GLU A 33 6.231 3.345 3.563 1.00 1.00 H new ATOM 0 HA GLU A 33 8.843 3.127 4.881 1.00 1.00 H new ATOM 0 HB2 GLU A 33 6.253 1.906 5.849 1.00 1.00 H new ATOM 0 HB3 GLU A 33 7.728 2.200 6.748 1.00 1.00 H new ATOM 0 HG2 GLU A 33 7.318 4.692 6.464 1.00 1.00 H new ATOM 0 HG3 GLU A 33 5.768 4.303 5.745 1.00 1.00 H new ATOM 515 N ILE A 34 9.051 0.633 4.264 1.00 1.00 N ATOM 516 CA ILE A 34 9.314 -0.664 3.724 1.00 1.00 C ATOM 517 C ILE A 34 9.547 -1.582 4.873 1.00 1.00 C ATOM 518 O ILE A 34 10.525 -1.521 5.617 1.00 1.00 O ATOM 519 CB ILE A 34 10.442 -0.639 2.734 1.00 1.00 C ATOM 520 CG1 ILE A 34 10.927 -2.038 2.314 1.00 1.00 C ATOM 521 CG2 ILE A 34 11.634 0.209 3.212 1.00 1.00 C ATOM 522 CD1 ILE A 34 9.889 -2.887 1.585 1.00 1.00 C ATOM 0 H ILE A 34 9.810 0.970 4.856 1.00 1.00 H new ATOM 0 HA ILE A 34 8.462 -1.026 3.148 1.00 1.00 H new ATOM 0 HB ILE A 34 10.014 -0.165 1.851 1.00 1.00 H new ATOM 0 HG12 ILE A 34 11.800 -1.926 1.671 1.00 1.00 H new ATOM 0 HG13 ILE A 34 11.254 -2.575 3.204 1.00 1.00 H new ATOM 0 HG21 ILE A 34 12.420 0.191 2.457 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.308 1.237 3.372 1.00 1.00 H new ATOM 0 HG23 ILE A 34 12.020 -0.199 4.146 1.00 1.00 H new ATOM 0 HD11 ILE A 34 10.324 -3.854 1.330 1.00 1.00 H new ATOM 0 HD12 ILE A 34 9.023 -3.037 2.230 1.00 1.00 H new ATOM 0 HD13 ILE A 34 9.578 -2.377 0.673 1.00 1.00 H new ATOM 534 N ASN A 35 8.574 -2.490 5.067 1.00 1.00 N ATOM 535 CA ASN A 35 8.609 -3.517 6.063 1.00 1.00 C ATOM 536 C ASN A 35 8.804 -4.835 5.397 1.00 1.00 C ATOM 537 O ASN A 35 7.876 -5.628 5.258 1.00 1.00 O ATOM 538 CB ASN A 35 7.316 -3.555 6.896 1.00 1.00 C ATOM 539 CG ASN A 35 7.046 -2.210 7.553 1.00 1.00 C ATOM 540 OD1 ASN A 35 7.604 -1.853 8.589 1.00 1.00 O ATOM 541 ND2 ASN A 35 6.130 -1.420 6.930 1.00 1.00 N ATOM 0 H ASN A 35 7.724 -2.509 4.504 1.00 1.00 H new ATOM 0 HA ASN A 35 9.435 -3.301 6.740 1.00 1.00 H new ATOM 0 HB2 ASN A 35 6.476 -3.826 6.256 1.00 1.00 H new ATOM 0 HB3 ASN A 35 7.396 -4.327 7.661 1.00 1.00 H new ATOM 0 HD21 ASN A 35 5.892 -0.509 7.321 1.00 1.00 H new ATOM 0 HD22 ASN A 35 5.681 -1.739 6.071 1.00 1.00 H new ATOM 548 N GLY A 36 10.023 -5.122 4.905 1.00 1.00 N ATOM 549 CA GLY A 36 10.404 -6.404 4.400 1.00 1.00 C ATOM 550 C GLY A 36 9.856 -6.816 3.077 1.00 1.00 C ATOM 551 O GLY A 36 10.235 -7.854 2.537 1.00 1.00 O ATOM 0 H GLY A 36 10.773 -4.432 4.857 1.00 1.00 H new ATOM 0 HA2 GLY A 36 11.492 -6.430 4.336 1.00 1.00 H new ATOM 0 HA3 GLY A 36 10.110 -7.155 5.134 1.00 1.00 H new ATOM 555 N GLY A 37 8.919 -6.030 2.517 1.00 1.00 N ATOM 556 CA GLY A 37 8.129 -6.386 1.380 1.00 1.00 C ATOM 557 C GLY A 37 6.823 -5.670 1.449 1.00 1.00 C ATOM 558 O GLY A 37 6.231 -5.296 0.440 1.00 1.00 O ATOM 0 H GLY A 37 8.702 -5.100 2.876 1.00 1.00 H new ATOM 0 HA2 GLY A 37 8.653 -6.124 0.461 1.00 1.00 H new ATOM 0 HA3 GLY A 37 7.966 -7.464 1.358 1.00 1.00 H new ATOM 562 N VAL A 38 6.297 -5.450 2.668 1.00 1.00 N ATOM 563 CA VAL A 38 5.101 -4.696 2.885 1.00 1.00 C ATOM 564 C VAL A 38 5.409 -3.241 2.818 1.00 1.00 C ATOM 565 O VAL A 38 6.026 -2.669 3.715 1.00 1.00 O ATOM 566 CB VAL A 38 4.475 -5.046 4.202 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.191 -4.236 4.445 1.00 1.00 C ATOM 568 CG2 VAL A 38 4.159 -6.551 4.213 1.00 1.00 C ATOM 0 H VAL A 38 6.716 -5.807 3.527 1.00 1.00 H new ATOM 0 HA VAL A 38 4.383 -4.945 2.103 1.00 1.00 H new ATOM 0 HB VAL A 38 5.174 -4.801 5.002 1.00 1.00 H new ATOM 0 HG11 VAL A 38 2.762 -4.514 5.408 1.00 1.00 H new ATOM 0 HG12 VAL A 38 3.427 -3.172 4.446 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.472 -4.447 3.653 1.00 1.00 H new ATOM 0 HG21 VAL A 38 3.703 -6.820 5.166 1.00 1.00 H new ATOM 0 HG22 VAL A 38 3.469 -6.784 3.402 1.00 1.00 H new ATOM 0 HG23 VAL A 38 5.081 -7.117 4.079 1.00 1.00 H new ATOM 578 N LEU A 39 5.011 -2.577 1.718 1.00 1.00 N ATOM 579 CA LEU A 39 5.159 -1.164 1.558 1.00 1.00 C ATOM 580 C LEU A 39 3.908 -0.466 1.967 1.00 1.00 C ATOM 581 O LEU A 39 2.795 -0.788 1.556 1.00 1.00 O ATOM 582 CB LEU A 39 5.476 -0.787 0.102 1.00 1.00 C ATOM 583 CG LEU A 39 6.931 -1.090 -0.300 1.00 1.00 C ATOM 584 CD1 LEU A 39 7.056 -1.267 -1.823 1.00 1.00 C ATOM 585 CD2 LEU A 39 7.910 0.021 0.112 1.00 1.00 C ATOM 0 H LEU A 39 4.574 -3.035 0.918 1.00 1.00 H new ATOM 0 HA LEU A 39 5.991 -0.854 2.191 1.00 1.00 H new ATOM 0 HB2 LEU A 39 4.802 -1.329 -0.562 1.00 1.00 H new ATOM 0 HB3 LEU A 39 5.280 0.275 -0.042 1.00 1.00 H new ATOM 0 HG LEU A 39 7.190 -2.009 0.226 1.00 1.00 H new ATOM 0 HD11 LEU A 39 8.093 -1.480 -2.081 1.00 1.00 H new ATOM 0 HD12 LEU A 39 6.425 -2.095 -2.146 1.00 1.00 H new ATOM 0 HD13 LEU A 39 6.739 -0.352 -2.323 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.919 -0.250 -0.198 1.00 1.00 H new ATOM 0 HD22 LEU A 39 7.622 0.956 -0.368 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.884 0.145 1.195 1.00 1.00 H new ATOM 597 N THR A 40 4.070 0.547 2.839 1.00 1.00 N ATOM 598 CA THR A 40 3.002 1.341 3.362 1.00 1.00 C ATOM 599 C THR A 40 3.343 2.769 3.106 1.00 1.00 C ATOM 600 O THR A 40 4.396 3.259 3.510 1.00 1.00 O ATOM 601 CB THR A 40 2.778 1.089 4.824 1.00 1.00 C ATOM 602 OG1 THR A 40 3.981 1.112 5.576 1.00 1.00 O ATOM 603 CG2 THR A 40 2.160 -0.306 5.019 1.00 1.00 C ATOM 0 H THR A 40 4.985 0.824 3.194 1.00 1.00 H new ATOM 0 HA THR A 40 2.067 1.075 2.868 1.00 1.00 H new ATOM 0 HB THR A 40 2.122 1.886 5.174 1.00 1.00 H new ATOM 0 HG1 THR A 40 3.780 0.944 6.520 1.00 1.00 H new ATOM 0 HG21 THR A 40 1.998 -0.487 6.082 1.00 1.00 H new ATOM 0 HG22 THR A 40 1.207 -0.359 4.493 1.00 1.00 H new ATOM 0 HG23 THR A 40 2.836 -1.062 4.621 1.00 1.00 H new ATOM 611 N ILE A 41 2.470 3.489 2.380 1.00 1.00 N ATOM 612 CA ILE A 41 2.724 4.798 1.865 1.00 1.00 C ATOM 613 C ILE A 41 2.139 5.812 2.786 1.00 1.00 C ATOM 614 O ILE A 41 0.942 5.782 3.067 1.00 1.00 O ATOM 615 CB ILE A 41 2.174 4.916 0.475 1.00 1.00 C ATOM 616 CG1 ILE A 41 3.034 4.086 -0.493 1.00 1.00 C ATOM 617 CG2 ILE A 41 2.042 6.379 0.017 1.00 1.00 C ATOM 618 CD1 ILE A 41 2.420 3.908 -1.881 1.00 1.00 C ATOM 0 H ILE A 41 1.542 3.141 2.141 1.00 1.00 H new ATOM 0 HA ILE A 41 3.798 4.977 1.806 1.00 1.00 H new ATOM 0 HB ILE A 41 1.160 4.515 0.475 1.00 1.00 H new ATOM 0 HG12 ILE A 41 4.008 4.564 -0.597 1.00 1.00 H new ATOM 0 HG13 ILE A 41 3.207 3.103 -0.056 1.00 1.00 H new ATOM 0 HG21 ILE A 41 1.639 6.408 -0.996 1.00 1.00 H new ATOM 0 HG22 ILE A 41 1.370 6.912 0.690 1.00 1.00 H new ATOM 0 HG23 ILE A 41 3.023 6.855 0.031 1.00 1.00 H new ATOM 0 HD11 ILE A 41 3.089 3.312 -2.501 1.00 1.00 H new ATOM 0 HD12 ILE A 41 1.459 3.401 -1.792 1.00 1.00 H new ATOM 0 HD13 ILE A 41 2.273 4.885 -2.342 1.00 1.00 H new ATOM 630 N THR A 42 2.977 6.730 3.297 1.00 1.00 N ATOM 631 CA THR A 42 2.606 7.655 4.324 1.00 1.00 C ATOM 632 C THR A 42 2.805 9.091 3.976 1.00 1.00 C ATOM 633 O THR A 42 3.925 9.598 3.952 1.00 1.00 O ATOM 634 CB THR A 42 3.306 7.412 5.628 1.00 1.00 C ATOM 635 OG1 THR A 42 4.710 7.260 5.486 1.00 1.00 O ATOM 636 CG2 THR A 42 2.799 6.104 6.257 1.00 1.00 C ATOM 0 H THR A 42 3.943 6.833 2.987 1.00 1.00 H new ATOM 0 HA THR A 42 1.538 7.463 4.425 1.00 1.00 H new ATOM 0 HB THR A 42 3.094 8.286 6.244 1.00 1.00 H new ATOM 0 HG1 THR A 42 4.972 7.486 4.569 1.00 1.00 H new ATOM 0 HG21 THR A 42 3.311 5.933 7.204 1.00 1.00 H new ATOM 0 HG22 THR A 42 1.726 6.177 6.433 1.00 1.00 H new ATOM 0 HG23 THR A 42 3.000 5.273 5.581 1.00 1.00 H new ATOM 644 N PHE A 43 1.724 9.856 3.745 1.00 1.00 N ATOM 645 CA PHE A 43 1.765 11.249 3.428 1.00 1.00 C ATOM 646 C PHE A 43 1.155 12.123 4.469 1.00 1.00 C ATOM 647 O PHE A 43 0.434 11.681 5.362 1.00 1.00 O ATOM 648 CB PHE A 43 1.183 11.551 2.037 1.00 1.00 C ATOM 649 CG PHE A 43 -0.056 10.777 1.747 1.00 1.00 C ATOM 650 CD1 PHE A 43 -1.294 11.234 2.135 1.00 1.00 C ATOM 651 CD2 PHE A 43 0.039 9.573 1.090 1.00 1.00 C ATOM 652 CE1 PHE A 43 -2.421 10.483 1.899 1.00 1.00 C ATOM 653 CE2 PHE A 43 -1.083 8.814 0.856 1.00 1.00 C ATOM 654 CZ PHE A 43 -2.313 9.265 1.273 1.00 1.00 C ATOM 0 H PHE A 43 0.775 9.484 3.781 1.00 1.00 H new ATOM 0 HA PHE A 43 2.826 11.498 3.407 1.00 1.00 H new ATOM 0 HB2 PHE A 43 0.965 12.617 1.963 1.00 1.00 H new ATOM 0 HB3 PHE A 43 1.932 11.325 1.278 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -1.381 12.190 2.629 1.00 1.00 H new ATOM 0 HD2 PHE A 43 1.003 9.221 0.755 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -3.390 10.850 2.205 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -0.998 7.866 0.346 1.00 1.00 H new ATOM 0 HZ PHE A 43 -3.194 8.662 1.109 1.00 1.00 H new ATOM 664 N GLU A 44 1.434 13.437 4.392 1.00 1.00 N ATOM 665 CA GLU A 44 1.214 14.458 5.369 1.00 1.00 C ATOM 666 C GLU A 44 -0.186 14.739 5.797 1.00 1.00 C ATOM 667 O GLU A 44 -0.442 15.269 6.876 1.00 1.00 O ATOM 668 CB GLU A 44 1.857 15.719 4.770 1.00 1.00 C ATOM 669 CG GLU A 44 1.105 16.463 3.664 1.00 1.00 C ATOM 670 CD GLU A 44 0.298 17.659 4.144 1.00 1.00 C ATOM 671 OE1 GLU A 44 0.879 18.557 4.812 1.00 1.00 O ATOM 672 OE2 GLU A 44 -0.916 17.738 3.814 1.00 1.00 O ATOM 0 H GLU A 44 1.861 13.823 3.550 1.00 1.00 H new ATOM 0 HA GLU A 44 1.651 14.107 6.304 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.031 16.422 5.585 1.00 1.00 H new ATOM 0 HB3 GLU A 44 2.834 15.439 4.377 1.00 1.00 H new ATOM 0 HG2 GLU A 44 1.824 16.802 2.918 1.00 1.00 H new ATOM 0 HG3 GLU A 44 0.433 15.764 3.165 1.00 1.00 H new ATOM 679 N ASN A 45 -1.160 14.331 4.962 1.00 1.00 N ATOM 680 CA ASN A 45 -2.558 14.390 5.253 1.00 1.00 C ATOM 681 C ASN A 45 -2.977 13.480 6.355 1.00 1.00 C ATOM 682 O ASN A 45 -4.065 13.620 6.913 1.00 1.00 O ATOM 683 CB ASN A 45 -3.384 14.113 3.986 1.00 1.00 C ATOM 684 CG ASN A 45 -4.768 14.737 4.091 1.00 1.00 C ATOM 685 OD1 ASN A 45 -4.885 15.938 4.332 1.00 1.00 O ATOM 686 ND2 ASN A 45 -5.849 13.934 3.903 1.00 1.00 N ATOM 0 H ASN A 45 -0.962 13.942 4.040 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.752 15.404 5.603 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -2.866 14.513 3.115 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -3.476 13.037 3.836 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -6.790 14.324 3.960 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -5.719 12.942 3.705 1.00 1.00 H new ATOM 693 N GLY A 46 -2.132 12.508 6.741 1.00 1.00 N ATOM 694 CA GLY A 46 -2.338 11.692 7.898 1.00 1.00 C ATOM 695 C GLY A 46 -2.869 10.339 7.571 1.00 1.00 C ATOM 696 O GLY A 46 -3.014 9.478 8.436 1.00 1.00 O ATOM 0 H GLY A 46 -1.278 12.282 6.232 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -1.394 11.586 8.433 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -3.032 12.195 8.571 1.00 1.00 H new ATOM 700 N SER A 47 -3.183 10.102 6.285 1.00 1.00 N ATOM 701 CA SER A 47 -3.674 8.849 5.800 1.00 1.00 C ATOM 702 C SER A 47 -2.565 7.992 5.292 1.00 1.00 C ATOM 703 O SER A 47 -1.474 8.466 4.982 1.00 1.00 O ATOM 704 CB SER A 47 -4.721 9.016 4.687 1.00 1.00 C ATOM 705 OG SER A 47 -5.853 9.700 5.204 1.00 1.00 O ATOM 0 H SER A 47 -3.092 10.809 5.556 1.00 1.00 H new ATOM 0 HA SER A 47 -4.151 8.367 6.653 1.00 1.00 H new ATOM 0 HB2 SER A 47 -4.295 9.573 3.853 1.00 1.00 H new ATOM 0 HB3 SER A 47 -5.017 8.040 4.301 1.00 1.00 H new ATOM 0 HG SER A 47 -6.521 9.809 4.495 1.00 1.00 H new ATOM 711 N LYS A 48 -2.806 6.671 5.213 1.00 1.00 N ATOM 712 CA LYS A 48 -1.824 5.733 4.768 1.00 1.00 C ATOM 713 C LYS A 48 -2.433 4.653 3.942 1.00 1.00 C ATOM 714 O LYS A 48 -3.538 4.186 4.216 1.00 1.00 O ATOM 715 CB LYS A 48 -1.039 5.130 5.947 1.00 1.00 C ATOM 716 CG LYS A 48 -1.885 4.461 7.033 1.00 1.00 C ATOM 717 CD LYS A 48 -1.011 3.983 8.195 1.00 1.00 C ATOM 718 CE LYS A 48 -1.752 3.336 9.366 1.00 1.00 C ATOM 719 NZ LYS A 48 -2.693 4.291 9.993 1.00 1.00 N ATOM 0 H LYS A 48 -3.699 6.247 5.463 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.122 6.284 4.142 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -0.337 4.395 5.554 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -0.447 5.921 6.408 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -2.632 5.164 7.401 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -2.425 3.615 6.608 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -0.286 3.266 7.808 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -0.446 4.835 8.574 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -2.298 2.460 9.016 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -1.033 2.988 10.108 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -3.120 3.855 10.835 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -2.180 5.152 10.271 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -3.441 4.538 9.314 1.00 1.00 H new ATOM 733 N ILE A 49 -1.741 4.245 2.863 1.00 1.00 N ATOM 734 CA ILE A 49 -2.124 3.224 1.938 1.00 1.00 C ATOM 735 C ILE A 49 -1.233 2.051 2.168 1.00 1.00 C ATOM 736 O ILE A 49 -0.062 2.199 2.514 1.00 1.00 O ATOM 737 CB ILE A 49 -2.076 3.777 0.544 1.00 1.00 C ATOM 738 CG1 ILE A 49 -1.285 2.930 -0.467 1.00 1.00 C ATOM 739 CG2 ILE A 49 -1.617 5.245 0.522 1.00 1.00 C ATOM 740 CD1 ILE A 49 -1.426 3.375 -1.922 1.00 1.00 C ATOM 0 H ILE A 49 -0.843 4.663 2.620 1.00 1.00 H new ATOM 0 HA ILE A 49 -3.150 2.886 2.084 1.00 1.00 H new ATOM 0 HB ILE A 49 -3.110 3.731 0.203 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -0.230 2.955 -0.194 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -1.611 1.893 -0.385 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -1.597 5.605 -0.507 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -2.310 5.852 1.105 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -0.618 5.320 0.952 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -0.834 2.720 -2.562 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -2.473 3.322 -2.219 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -1.071 4.400 -2.025 1.00 1.00 H new ATOM 752 N ILE A 50 -1.770 0.826 2.032 1.00 1.00 N ATOM 753 CA ILE A 50 -1.176 -0.373 2.536 1.00 1.00 C ATOM 754 C ILE A 50 -1.038 -1.390 1.456 1.00 1.00 C ATOM 755 O ILE A 50 -2.027 -1.792 0.846 1.00 1.00 O ATOM 756 CB ILE A 50 -2.055 -0.979 3.589 1.00 1.00 C ATOM 757 CG1 ILE A 50 -2.649 0.020 4.597 1.00 1.00 C ATOM 758 CG2 ILE A 50 -1.366 -2.147 4.313 1.00 1.00 C ATOM 759 CD1 ILE A 50 -1.646 0.664 5.554 1.00 1.00 C ATOM 0 H ILE A 50 -2.655 0.664 1.551 1.00 1.00 H new ATOM 0 HA ILE A 50 -0.199 -0.106 2.939 1.00 1.00 H new ATOM 0 HB ILE A 50 -2.908 -1.365 3.031 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -3.155 0.811 4.043 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -3.409 -0.493 5.186 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -2.039 -2.556 5.067 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -1.114 -2.924 3.592 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -0.455 -1.790 4.794 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -2.168 1.350 6.221 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -1.155 -0.111 6.143 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -0.898 1.213 4.982 1.00 1.00 H new ATOM 771 N ILE A 51 0.187 -1.875 1.186 1.00 1.00 N ATOM 772 CA ILE A 51 0.486 -2.848 0.181 1.00 1.00 C ATOM 773 C ILE A 51 1.200 -4.039 0.722 1.00 1.00 C ATOM 774 O ILE A 51 2.388 -4.029 1.036 1.00 1.00 O ATOM 775 CB ILE A 51 1.236 -2.280 -0.987 1.00 1.00 C ATOM 776 CG1 ILE A 51 0.463 -1.020 -1.411 1.00 1.00 C ATOM 777 CG2 ILE A 51 1.332 -3.324 -2.111 1.00 1.00 C ATOM 778 CD1 ILE A 51 0.757 -0.518 -2.825 1.00 1.00 C ATOM 0 H ILE A 51 1.015 -1.571 1.698 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.488 -3.177 -0.182 1.00 1.00 H new ATOM 0 HB ILE A 51 2.264 -2.019 -0.737 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.605 -1.224 -1.330 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.689 -0.221 -0.705 1.00 1.00 H new ATOM 0 HG21 ILE A 51 1.878 -2.902 -2.954 1.00 1.00 H new ATOM 0 HG22 ILE A 51 1.856 -4.206 -1.744 1.00 1.00 H new ATOM 0 HG23 ILE A 51 0.329 -3.606 -2.433 1.00 1.00 H new ATOM 0 HD11 ILE A 51 0.162 0.373 -3.026 1.00 1.00 H new ATOM 0 HD12 ILE A 51 1.816 -0.275 -2.912 1.00 1.00 H new ATOM 0 HD13 ILE A 51 0.503 -1.294 -3.547 1.00 1.00 H new ATOM 790 N ASN A 52 0.461 -5.163 0.778 1.00 1.00 N ATOM 791 CA ASN A 52 0.885 -6.484 1.122 1.00 1.00 C ATOM 792 C ASN A 52 0.609 -7.384 -0.034 1.00 1.00 C ATOM 793 O ASN A 52 -0.210 -7.100 -0.907 1.00 1.00 O ATOM 794 CB ASN A 52 0.100 -7.117 2.283 1.00 1.00 C ATOM 795 CG ASN A 52 0.241 -6.403 3.619 1.00 1.00 C ATOM 796 OD1 ASN A 52 1.098 -6.766 4.425 1.00 1.00 O ATOM 797 ND2 ASN A 52 -0.654 -5.423 3.916 1.00 1.00 N ATOM 0 H ASN A 52 -0.535 -5.140 0.559 1.00 1.00 H new ATOM 0 HA ASN A 52 1.935 -6.388 1.398 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -0.956 -7.147 2.014 1.00 1.00 H new ATOM 0 HB3 ASN A 52 0.428 -8.149 2.403 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -0.627 -4.967 4.828 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -1.352 -5.144 3.227 1.00 1.00 H new ATOM 804 N ARG A 53 1.298 -8.539 -0.042 1.00 1.00 N ATOM 805 CA ARG A 53 1.103 -9.597 -0.984 1.00 1.00 C ATOM 806 C ARG A 53 1.221 -10.936 -0.342 1.00 1.00 C ATOM 807 O ARG A 53 2.068 -11.183 0.516 1.00 1.00 O ATOM 808 CB ARG A 53 2.153 -9.413 -2.092 1.00 1.00 C ATOM 809 CG ARG A 53 3.620 -9.458 -1.661 1.00 1.00 C ATOM 810 CD ARG A 53 4.554 -9.595 -2.867 1.00 1.00 C ATOM 811 NE ARG A 53 5.863 -10.121 -2.393 1.00 1.00 N ATOM 812 CZ ARG A 53 6.496 -11.201 -2.938 1.00 1.00 C ATOM 813 NH1 ARG A 53 6.093 -11.772 -4.110 1.00 1.00 N ATOM 814 NH2 ARG A 53 7.545 -11.740 -2.252 1.00 1.00 N ATOM 0 H ARG A 53 2.026 -8.745 0.642 1.00 1.00 H new ATOM 0 HA ARG A 53 0.096 -9.553 -1.398 1.00 1.00 H new ATOM 0 HB2 ARG A 53 1.995 -10.187 -2.843 1.00 1.00 H new ATOM 0 HB3 ARG A 53 1.970 -8.455 -2.579 1.00 1.00 H new ATOM 0 HG2 ARG A 53 3.867 -8.551 -1.109 1.00 1.00 H new ATOM 0 HG3 ARG A 53 3.775 -10.296 -0.982 1.00 1.00 H new ATOM 0 HD2 ARG A 53 4.121 -10.268 -3.607 1.00 1.00 H new ATOM 0 HD3 ARG A 53 4.688 -8.629 -3.354 1.00 1.00 H new ATOM 0 HE ARG A 53 6.315 -9.645 -1.612 1.00 1.00 H new ATOM 0 HH11 ARG A 53 5.291 -11.392 -4.613 1.00 1.00 H new ATOM 0 HH12 ARG A 53 6.594 -12.578 -4.483 1.00 1.00 H new ATOM 0 HH21 ARG A 53 7.834 -11.336 -1.361 1.00 1.00 H new ATOM 0 HH22 ARG A 53 8.041 -12.547 -2.630 1.00 1.00 H new ATOM 828 N GLN A 54 0.348 -11.875 -0.748 1.00 1.00 N ATOM 829 CA GLN A 54 0.347 -13.250 -0.352 1.00 1.00 C ATOM 830 C GLN A 54 0.752 -14.080 -1.522 1.00 1.00 C ATOM 831 O GLN A 54 0.068 -14.158 -2.542 1.00 1.00 O ATOM 832 CB GLN A 54 -1.078 -13.612 0.097 1.00 1.00 C ATOM 833 CG GLN A 54 -1.543 -12.900 1.369 1.00 1.00 C ATOM 834 CD GLN A 54 -0.723 -13.284 2.591 1.00 1.00 C ATOM 835 OE1 GLN A 54 0.114 -12.531 3.088 1.00 1.00 O ATOM 836 NE2 GLN A 54 -0.980 -14.508 3.123 1.00 1.00 N ATOM 0 H GLN A 54 -0.408 -11.658 -1.397 1.00 1.00 H new ATOM 0 HA GLN A 54 1.044 -13.429 0.467 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -1.771 -13.375 -0.711 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -1.132 -14.689 0.258 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -1.482 -11.822 1.220 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -2.591 -13.138 1.551 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -1.678 -15.114 2.693 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -0.474 -14.820 3.952 1.00 1.00 H new ATOM 845 N GLU A 55 1.919 -14.738 -1.410 1.00 1.00 N ATOM 846 CA GLU A 55 2.548 -15.517 -2.432 1.00 1.00 C ATOM 847 C GLU A 55 1.746 -16.519 -3.188 1.00 1.00 C ATOM 848 O GLU A 55 1.855 -16.465 -4.411 1.00 1.00 O ATOM 849 CB GLU A 55 3.852 -16.169 -1.937 1.00 1.00 C ATOM 850 CG GLU A 55 4.983 -15.169 -1.688 1.00 1.00 C ATOM 851 CD GLU A 55 6.237 -15.883 -1.209 1.00 1.00 C ATOM 852 OE1 GLU A 55 6.631 -16.922 -1.803 1.00 1.00 O ATOM 853 OE2 GLU A 55 6.868 -15.385 -0.239 1.00 1.00 O ATOM 0 H GLU A 55 2.460 -14.725 -0.546 1.00 1.00 H new ATOM 0 HA GLU A 55 2.732 -14.741 -3.175 1.00 1.00 H new ATOM 0 HB2 GLU A 55 3.649 -16.712 -1.014 1.00 1.00 H new ATOM 0 HB3 GLU A 55 4.183 -16.903 -2.672 1.00 1.00 H new ATOM 0 HG2 GLU A 55 5.199 -14.621 -2.605 1.00 1.00 H new ATOM 0 HG3 GLU A 55 4.670 -14.436 -0.945 1.00 1.00 H new ATOM 860 N PRO A 56 0.940 -17.401 -2.672 1.00 1.00 N ATOM 861 CA PRO A 56 0.285 -18.386 -3.482 1.00 1.00 C ATOM 862 C PRO A 56 -0.820 -17.862 -4.333 1.00 1.00 C ATOM 863 O PRO A 56 -1.315 -18.601 -5.182 1.00 1.00 O ATOM 864 CB PRO A 56 -0.281 -19.405 -2.496 1.00 1.00 C ATOM 865 CG PRO A 56 0.589 -19.239 -1.239 1.00 1.00 C ATOM 866 CD PRO A 56 0.846 -17.724 -1.257 1.00 1.00 C ATOM 0 HA PRO A 56 1.008 -18.796 -4.187 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -1.332 -19.210 -2.281 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -0.219 -20.419 -2.892 1.00 1.00 H new ATOM 0 HG2 PRO A 56 0.072 -19.559 -0.334 1.00 1.00 H new ATOM 0 HG3 PRO A 56 1.513 -19.815 -1.298 1.00 1.00 H new ATOM 0 HD2 PRO A 56 0.036 -17.176 -0.775 1.00 1.00 H new ATOM 0 HD3 PRO A 56 1.764 -17.468 -0.727 1.00 1.00 H new ATOM 874 N LEU A 57 -1.275 -16.612 -4.125 1.00 1.00 N ATOM 875 CA LEU A 57 -2.399 -16.073 -4.826 1.00 1.00 C ATOM 876 C LEU A 57 -1.994 -15.520 -6.149 1.00 1.00 C ATOM 877 O LEU A 57 -2.706 -15.647 -7.146 1.00 1.00 O ATOM 878 CB LEU A 57 -3.118 -14.948 -4.065 1.00 1.00 C ATOM 879 CG LEU A 57 -3.434 -15.323 -2.607 1.00 1.00 C ATOM 880 CD1 LEU A 57 -4.084 -14.128 -1.887 1.00 1.00 C ATOM 881 CD2 LEU A 57 -4.324 -16.569 -2.456 1.00 1.00 C ATOM 0 H LEU A 57 -0.854 -15.965 -3.458 1.00 1.00 H new ATOM 0 HA LEU A 57 -3.082 -16.915 -4.939 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -2.498 -14.052 -4.079 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -4.046 -14.701 -4.581 1.00 1.00 H new ATOM 0 HG LEU A 57 -2.478 -15.576 -2.148 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -4.305 -14.401 -0.855 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -3.400 -13.280 -1.899 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -5.009 -13.856 -2.396 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -4.499 -16.765 -1.398 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.277 -16.398 -2.956 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -3.827 -17.428 -2.907 1.00 1.00 H new ATOM 893 N HIS A 58 -0.824 -14.858 -6.165 1.00 1.00 N ATOM 894 CA HIS A 58 -0.239 -14.233 -7.313 1.00 1.00 C ATOM 895 C HIS A 58 -0.948 -13.002 -7.755 1.00 1.00 C ATOM 896 O HIS A 58 -0.822 -12.587 -8.907 1.00 1.00 O ATOM 897 CB HIS A 58 -0.009 -15.203 -8.485 1.00 1.00 C ATOM 898 CG HIS A 58 0.651 -16.484 -8.070 1.00 1.00 C ATOM 899 ND1 HIS A 58 0.018 -17.694 -8.170 1.00 1.00 N ATOM 900 CD2 HIS A 58 1.895 -16.735 -7.579 1.00 1.00 C ATOM 901 CE1 HIS A 58 0.836 -18.645 -7.755 1.00 1.00 C ATOM 902 NE2 HIS A 58 1.982 -18.091 -7.411 1.00 1.00 N ATOM 0 H HIS A 58 -0.252 -14.752 -5.327 1.00 1.00 H new ATOM 0 HA HIS A 58 0.745 -13.913 -6.969 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -0.967 -15.430 -8.954 1.00 1.00 H new ATOM 0 HB3 HIS A 58 0.606 -14.712 -9.239 1.00 1.00 H new ATOM 0 HD1 HIS A 58 -0.933 -17.838 -8.510 1.00 1.00 H new ATOM 0 HD2 HIS A 58 2.663 -16.007 -7.364 1.00 1.00 H new ATOM 0 HE1 HIS A 58 0.605 -19.699 -7.706 1.00 1.00 H new ATOM 910 N GLN A 59 -1.684 -12.340 -6.844 1.00 1.00 N ATOM 911 CA GLN A 59 -2.333 -11.075 -6.991 1.00 1.00 C ATOM 912 C GLN A 59 -1.956 -10.276 -5.791 1.00 1.00 C ATOM 913 O GLN A 59 -1.598 -10.846 -4.762 1.00 1.00 O ATOM 914 CB GLN A 59 -3.868 -11.178 -7.023 1.00 1.00 C ATOM 915 CG GLN A 59 -4.463 -12.168 -6.021 1.00 1.00 C ATOM 916 CD GLN A 59 -5.970 -12.048 -5.836 1.00 1.00 C ATOM 917 OE1 GLN A 59 -6.486 -12.140 -4.724 1.00 1.00 O ATOM 918 NE2 GLN A 59 -6.722 -11.841 -6.950 1.00 1.00 N ATOM 0 H GLN A 59 -1.838 -12.732 -5.915 1.00 1.00 H new ATOM 0 HA GLN A 59 -2.023 -10.632 -7.937 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -4.289 -10.191 -6.831 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -4.178 -11.467 -8.027 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -4.229 -13.181 -6.347 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -3.978 -12.024 -5.055 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -6.272 -11.768 -7.863 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -7.736 -11.759 -6.873 1.00 1.00 H new ATOM 927 N VAL A 60 -2.007 -8.934 -5.862 1.00 1.00 N ATOM 928 CA VAL A 60 -1.503 -8.085 -4.827 1.00 1.00 C ATOM 929 C VAL A 60 -2.637 -7.310 -4.251 1.00 1.00 C ATOM 930 O VAL A 60 -3.671 -7.186 -4.906 1.00 1.00 O ATOM 931 CB VAL A 60 -0.449 -7.174 -5.383 1.00 1.00 C ATOM 932 CG1 VAL A 60 0.203 -6.269 -4.323 1.00 1.00 C ATOM 933 CG2 VAL A 60 0.669 -7.989 -6.054 1.00 1.00 C ATOM 0 H VAL A 60 -2.406 -8.429 -6.653 1.00 1.00 H new ATOM 0 HA VAL A 60 -1.044 -8.681 -4.038 1.00 1.00 H new ATOM 0 HB VAL A 60 -0.967 -6.540 -6.103 1.00 1.00 H new ATOM 0 HG11 VAL A 60 0.955 -5.638 -4.796 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.559 -5.641 -3.862 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.676 -6.886 -3.559 1.00 1.00 H new ATOM 0 HG21 VAL A 60 1.425 -7.312 -6.452 1.00 1.00 H new ATOM 0 HG22 VAL A 60 1.126 -8.652 -5.320 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.249 -8.582 -6.867 1.00 1.00 H new ATOM 943 N TRP A 61 -2.558 -6.778 -3.019 1.00 1.00 N ATOM 944 CA TRP A 61 -3.592 -5.959 -2.466 1.00 1.00 C ATOM 945 C TRP A 61 -3.300 -4.498 -2.504 1.00 1.00 C ATOM 946 O TRP A 61 -2.151 -4.063 -2.519 1.00 1.00 O ATOM 947 CB TRP A 61 -4.062 -6.500 -1.106 1.00 1.00 C ATOM 948 CG TRP A 61 -3.625 -5.854 0.189 1.00 1.00 C ATOM 949 CD1 TRP A 61 -2.544 -5.051 0.410 1.00 1.00 C ATOM 950 CD2 TRP A 61 -4.360 -5.871 1.427 1.00 1.00 C ATOM 951 NE1 TRP A 61 -2.600 -4.493 1.660 1.00 1.00 N ATOM 952 CE2 TRP A 61 -3.693 -5.016 2.311 1.00 1.00 C ATOM 953 CE3 TRP A 61 -5.503 -6.521 1.806 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -4.170 -4.810 3.576 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -5.970 -6.311 3.081 1.00 1.00 C ATOM 956 CH2 TRP A 61 -5.317 -5.469 3.951 1.00 1.00 C ATOM 0 H TRP A 61 -1.763 -6.918 -2.396 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.453 -6.037 -3.130 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -5.152 -6.484 -1.117 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -3.759 -7.546 -1.058 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.752 -4.879 -0.304 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -1.946 -3.809 2.041 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -6.022 -7.179 1.124 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -3.660 -4.149 4.261 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -6.867 -6.817 3.406 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -5.712 -5.323 4.946 1.00 1.00 H new ATOM 967 N LEU A 62 -4.348 -3.654 -2.554 1.00 1.00 N ATOM 968 CA LEU A 62 -4.308 -2.251 -2.291 1.00 1.00 C ATOM 969 C LEU A 62 -5.318 -1.923 -1.246 1.00 1.00 C ATOM 970 O LEU A 62 -6.495 -1.747 -1.560 1.00 1.00 O ATOM 971 CB LEU A 62 -4.738 -1.436 -3.522 1.00 1.00 C ATOM 972 CG LEU A 62 -3.793 -1.481 -4.734 1.00 1.00 C ATOM 973 CD1 LEU A 62 -4.481 -0.819 -5.941 1.00 1.00 C ATOM 974 CD2 LEU A 62 -2.434 -0.829 -4.429 1.00 1.00 C ATOM 0 H LEU A 62 -5.285 -3.977 -2.795 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.286 -2.010 -1.997 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -5.719 -1.789 -3.840 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.856 -0.396 -3.219 1.00 1.00 H new ATOM 0 HG LEU A 62 -3.583 -2.524 -4.973 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -3.813 -0.849 -6.802 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -5.400 -1.356 -6.175 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.717 0.218 -5.702 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -1.798 -0.883 -5.313 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.585 0.215 -4.154 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -1.955 -1.356 -3.604 1.00 1.00 H new ATOM 986 N ALA A 63 -4.932 -1.797 0.036 1.00 1.00 N ATOM 987 CA ALA A 63 -5.794 -1.231 1.027 1.00 1.00 C ATOM 988 C ALA A 63 -5.520 0.226 1.186 1.00 1.00 C ATOM 989 O ALA A 63 -4.386 0.695 1.084 1.00 1.00 O ATOM 990 CB ALA A 63 -5.756 -2.001 2.356 1.00 1.00 C ATOM 0 H ALA A 63 -4.020 -2.088 0.387 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.820 -1.333 0.674 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -6.429 -1.527 3.071 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -6.071 -3.031 2.189 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -4.741 -1.992 2.753 1.00 1.00 H new ATOM 996 N THR A 64 -6.591 1.015 1.385 1.00 1.00 N ATOM 997 CA THR A 64 -6.588 2.440 1.266 1.00 1.00 C ATOM 998 C THR A 64 -7.471 2.998 2.328 1.00 1.00 C ATOM 999 O THR A 64 -7.219 2.793 3.516 1.00 1.00 O ATOM 1000 CB THR A 64 -6.911 2.992 -0.091 1.00 1.00 C ATOM 1001 OG1 THR A 64 -8.180 2.591 -0.590 1.00 1.00 O ATOM 1002 CG2 THR A 64 -5.871 2.528 -1.124 1.00 1.00 C ATOM 0 H THR A 64 -7.504 0.640 1.642 1.00 1.00 H new ATOM 0 HA THR A 64 -5.556 2.763 1.404 1.00 1.00 H new ATOM 0 HB THR A 64 -6.910 4.074 0.044 1.00 1.00 H new ATOM 0 HG1 THR A 64 -8.324 2.988 -1.474 1.00 1.00 H new ATOM 0 HG21 THR A 64 -6.122 2.938 -2.102 1.00 1.00 H new ATOM 0 HG22 THR A 64 -4.882 2.877 -0.827 1.00 1.00 H new ATOM 0 HG23 THR A 64 -5.871 1.439 -1.176 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.541 3.731 1.974 1.00 1.00 N ATOM 1011 CA LYS A 65 -9.576 4.155 2.866 1.00 1.00 C ATOM 1012 C LYS A 65 -10.772 3.280 2.701 1.00 1.00 C ATOM 1013 O LYS A 65 -11.447 2.918 3.663 1.00 1.00 O ATOM 1014 CB LYS A 65 -9.972 5.620 2.619 1.00 1.00 C ATOM 1015 CG LYS A 65 -10.113 6.475 3.880 1.00 1.00 C ATOM 1016 CD LYS A 65 -11.137 5.941 4.884 1.00 1.00 C ATOM 1017 CE LYS A 65 -11.519 6.945 5.973 1.00 1.00 C ATOM 1018 NZ LYS A 65 -12.322 6.273 7.017 1.00 1.00 N ATOM 0 H LYS A 65 -8.692 4.044 1.015 1.00 1.00 H new ATOM 0 HA LYS A 65 -9.194 4.076 3.884 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -9.225 6.078 1.970 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -10.918 5.638 2.079 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -9.142 6.544 4.370 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -10.397 7.487 3.590 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -12.037 5.643 4.346 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -10.736 5.044 5.355 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -10.620 7.376 6.414 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -12.087 7.768 5.538 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -12.578 6.961 7.754 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -13.187 5.882 6.592 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -11.766 5.503 7.440 1.00 1.00 H new ATOM 1032 N GLN A 66 -11.108 2.925 1.448 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.385 2.381 1.107 1.00 1.00 C ATOM 1034 C GLN A 66 -12.644 0.969 1.507 1.00 1.00 C ATOM 1035 O GLN A 66 -13.788 0.607 1.778 1.00 1.00 O ATOM 1036 CB GLN A 66 -12.509 2.551 -0.416 1.00 1.00 C ATOM 1037 CG GLN A 66 -13.904 2.381 -1.022 1.00 1.00 C ATOM 1038 CD GLN A 66 -13.867 2.703 -2.509 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -12.900 3.239 -3.049 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -14.963 2.353 -3.234 1.00 1.00 N ATOM 0 H GLN A 66 -10.476 3.019 0.653 1.00 1.00 H new ATOM 0 HA GLN A 66 -13.140 2.920 1.679 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -12.145 3.545 -0.677 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -11.843 1.832 -0.893 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -14.253 1.360 -0.871 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -14.612 3.038 -0.517 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -15.758 1.909 -2.774 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -14.990 2.534 -4.237 1.00 1.00 H new ATOM 1049 N GLY A 67 -11.621 0.111 1.666 1.00 1.00 N ATOM 1050 CA GLY A 67 -11.840 -1.220 2.141 1.00 1.00 C ATOM 1051 C GLY A 67 -10.780 -2.210 1.798 1.00 1.00 C ATOM 1052 O GLY A 67 -10.500 -3.124 2.573 1.00 1.00 O ATOM 0 H GLY A 67 -10.646 0.337 1.467 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -11.943 -1.187 3.226 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -12.789 -1.578 1.741 1.00 1.00 H new ATOM 1056 N GLY A 68 -10.171 -2.073 0.605 1.00 1.00 N ATOM 1057 CA GLY A 68 -9.147 -2.927 0.090 1.00 1.00 C ATOM 1058 C GLY A 68 -9.557 -3.634 -1.155 1.00 1.00 C ATOM 1059 O GLY A 68 -10.459 -4.471 -1.168 1.00 1.00 O ATOM 0 H GLY A 68 -10.410 -1.318 -0.038 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -8.254 -2.335 -0.111 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -8.878 -3.662 0.848 1.00 1.00 H new ATOM 1063 N TYR A 69 -8.876 -3.319 -2.272 1.00 1.00 N ATOM 1064 CA TYR A 69 -9.042 -3.941 -3.549 1.00 1.00 C ATOM 1065 C TYR A 69 -7.877 -4.849 -3.745 1.00 1.00 C ATOM 1066 O TYR A 69 -6.763 -4.497 -3.359 1.00 1.00 O ATOM 1067 CB TYR A 69 -9.059 -2.926 -4.703 1.00 1.00 C ATOM 1068 CG TYR A 69 -9.425 -1.529 -4.329 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -10.716 -1.170 -4.022 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -8.455 -0.555 -4.327 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -11.040 0.133 -3.727 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -8.760 0.748 -4.014 1.00 1.00 C ATOM 1073 CZ TYR A 69 -10.057 1.095 -3.721 1.00 1.00 C ATOM 1074 OH TYR A 69 -10.331 2.428 -3.347 1.00 1.00 O ATOM 0 H TYR A 69 -8.167 -2.586 -2.283 1.00 1.00 H new ATOM 0 HA TYR A 69 -9.998 -4.465 -3.560 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -8.072 -2.912 -5.165 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -9.761 -3.276 -5.460 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -11.489 -1.924 -4.012 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -7.437 -0.818 -4.575 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -12.062 0.400 -3.501 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -7.982 1.497 -3.998 1.00 1.00 H new ATOM 0 HH TYR A 69 -11.298 2.545 -3.238 1.00 1.00 H new ATOM 1084 N HIS A 70 -8.011 -6.039 -4.356 1.00 1.00 N ATOM 1085 CA HIS A 70 -6.880 -6.782 -4.819 1.00 1.00 C ATOM 1086 C HIS A 70 -6.825 -6.777 -6.308 1.00 1.00 C ATOM 1087 O HIS A 70 -7.837 -6.614 -6.988 1.00 1.00 O ATOM 1088 CB HIS A 70 -6.805 -8.214 -4.262 1.00 1.00 C ATOM 1089 CG HIS A 70 -7.972 -9.105 -4.569 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -8.727 -9.677 -3.578 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -8.433 -9.603 -5.747 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -9.612 -10.488 -4.127 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -9.456 -10.462 -5.438 1.00 1.00 N ATOM 0 H HIS A 70 -8.909 -6.490 -4.531 1.00 1.00 H new ATOM 0 HA HIS A 70 -6.000 -6.272 -4.428 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -5.902 -8.686 -4.650 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -6.694 -8.155 -3.179 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -8.065 -9.368 -6.735 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -10.343 -11.076 -3.592 1.00 1.00 H new ATOM 0 HE2 HIS A 70 -10.007 -10.994 -6.111 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.613 -6.912 -6.876 1.00 1.00 N ATOM 1102 CA PHE A 71 -5.379 -6.636 -8.259 1.00 1.00 C ATOM 1103 C PHE A 71 -4.662 -7.725 -8.981 1.00 1.00 C ATOM 1104 O PHE A 71 -3.657 -8.258 -8.515 1.00 1.00 O ATOM 1105 CB PHE A 71 -4.776 -5.230 -8.417 1.00 1.00 C ATOM 1106 CG PHE A 71 -3.397 -4.976 -7.912 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -3.166 -4.602 -6.610 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -2.353 -4.927 -8.806 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -1.920 -4.175 -6.213 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -1.096 -4.527 -8.416 1.00 1.00 C ATOM 1111 CZ PHE A 71 -0.882 -4.137 -7.115 1.00 1.00 C ATOM 0 H PHE A 71 -4.783 -7.217 -6.367 1.00 1.00 H new ATOM 0 HA PHE A 71 -6.340 -6.623 -8.774 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -4.789 -4.984 -9.479 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -5.444 -4.527 -7.919 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -3.971 -4.644 -5.891 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -2.524 -5.208 -9.835 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -1.756 -3.869 -5.190 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -0.283 -4.519 -9.127 1.00 1.00 H new ATOM 0 HZ PHE A 71 0.096 -3.802 -6.803 1.00 1.00 H new ATOM 1121 N ASP A 72 -5.205 -8.107 -10.151 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.752 -9.174 -10.987 1.00 1.00 C ATOM 1123 C ASP A 72 -4.157 -8.605 -12.229 1.00 1.00 C ATOM 1124 O ASP A 72 -4.278 -7.412 -12.505 1.00 1.00 O ATOM 1125 CB ASP A 72 -5.927 -10.086 -11.383 1.00 1.00 C ATOM 1126 CG ASP A 72 -6.560 -10.783 -10.188 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -5.923 -11.725 -9.644 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -7.725 -10.463 -9.829 1.00 1.00 O ATOM 0 H ASP A 72 -6.021 -7.634 -10.540 1.00 1.00 H new ATOM 0 HA ASP A 72 -4.012 -9.756 -10.438 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -6.685 -9.493 -11.895 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -5.576 -10.836 -12.092 1.00 1.00 H new ATOM 1133 N LEU A 73 -3.482 -9.421 -13.057 1.00 1.00 N ATOM 1134 CA LEU A 73 -2.833 -8.995 -14.258 1.00 1.00 C ATOM 1135 C LEU A 73 -3.466 -9.628 -15.448 1.00 1.00 C ATOM 1136 O LEU A 73 -3.415 -10.840 -15.656 1.00 1.00 O ATOM 1137 CB LEU A 73 -1.344 -9.376 -14.188 1.00 1.00 C ATOM 1138 CG LEU A 73 -0.461 -8.908 -15.356 1.00 1.00 C ATOM 1139 CD1 LEU A 73 -0.378 -7.377 -15.468 1.00 1.00 C ATOM 1140 CD2 LEU A 73 0.960 -9.473 -15.187 1.00 1.00 C ATOM 0 H LEU A 73 -3.384 -10.421 -12.882 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.932 -7.914 -14.354 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -0.931 -8.971 -13.264 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -1.272 -10.461 -14.120 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.924 -9.280 -16.270 1.00 1.00 H new ATOM 0 HD11 LEU A 73 0.259 -7.108 -16.311 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.377 -6.969 -15.623 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.043 -6.967 -14.550 1.00 1.00 H new ATOM 0 HD21 LEU A 73 1.585 -9.140 -16.016 1.00 1.00 H new ATOM 0 HD22 LEU A 73 1.384 -9.117 -14.248 1.00 1.00 H new ATOM 0 HD23 LEU A 73 0.920 -10.562 -15.177 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.106 -8.821 -16.313 1.00 1.00 N ATOM 1153 CA LYS A 74 -4.480 -9.224 -17.634 1.00 1.00 C ATOM 1154 C LYS A 74 -3.314 -9.369 -18.550 1.00 1.00 C ATOM 1155 O LYS A 74 -3.061 -10.450 -19.081 1.00 1.00 O ATOM 1156 CB LYS A 74 -5.496 -8.227 -18.217 1.00 1.00 C ATOM 1157 CG LYS A 74 -6.925 -8.770 -18.258 1.00 1.00 C ATOM 1158 CD LYS A 74 -7.855 -7.782 -18.966 1.00 1.00 C ATOM 1159 CE LYS A 74 -9.290 -8.265 -19.192 1.00 1.00 C ATOM 1160 NZ LYS A 74 -9.369 -9.371 -20.173 1.00 1.00 N ATOM 0 H LYS A 74 -4.371 -7.862 -16.088 1.00 1.00 H new ATOM 0 HA LYS A 74 -4.935 -10.211 -17.550 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -5.479 -7.313 -17.623 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -5.189 -7.956 -19.227 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -6.941 -9.729 -18.776 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -7.281 -8.950 -17.244 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -7.889 -6.862 -18.383 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -7.419 -7.531 -19.933 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -9.712 -8.595 -18.243 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -9.900 -7.431 -19.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -10.361 -9.661 -20.290 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -8.992 -9.051 -21.088 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -8.810 -10.179 -19.831 1.00 1.00 H new ATOM 1174 N GLY A 75 -2.542 -8.294 -18.784 1.00 1.00 N ATOM 1175 CA GLY A 75 -1.416 -8.360 -19.662 1.00 1.00 C ATOM 1176 C GLY A 75 -0.572 -7.132 -19.640 1.00 1.00 C ATOM 1177 O GLY A 75 0.522 -7.114 -19.079 1.00 1.00 O ATOM 0 H GLY A 75 -2.698 -7.377 -18.365 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -0.802 -9.218 -19.389 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -1.768 -8.531 -20.679 1.00 1.00 H new ATOM 1181 N ASP A 76 -1.057 -6.033 -20.247 1.00 1.00 N ATOM 1182 CA ASP A 76 -0.428 -4.749 -20.223 1.00 1.00 C ATOM 1183 C ASP A 76 -1.228 -3.866 -19.330 1.00 1.00 C ATOM 1184 O ASP A 76 -1.286 -2.644 -19.468 1.00 1.00 O ATOM 1185 CB ASP A 76 -0.348 -4.195 -21.654 1.00 1.00 C ATOM 1186 CG ASP A 76 0.770 -3.173 -21.800 1.00 1.00 C ATOM 1187 OD1 ASP A 76 1.949 -3.604 -21.912 1.00 1.00 O ATOM 1188 OD2 ASP A 76 0.508 -1.940 -21.824 1.00 1.00 O ATOM 0 H ASP A 76 -1.927 -6.041 -20.779 1.00 1.00 H new ATOM 0 HA ASP A 76 0.590 -4.810 -19.839 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -0.185 -5.015 -22.353 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -1.299 -3.734 -21.920 1.00 1.00 H new ATOM 1193 N GLU A 77 -1.928 -4.474 -18.356 1.00 1.00 N ATOM 1194 CA GLU A 77 -2.921 -3.832 -17.551 1.00 1.00 C ATOM 1195 C GLU A 77 -3.077 -4.704 -16.354 1.00 1.00 C ATOM 1196 O GLU A 77 -3.479 -5.865 -16.429 1.00 1.00 O ATOM 1197 CB GLU A 77 -4.255 -3.601 -18.281 1.00 1.00 C ATOM 1198 CG GLU A 77 -4.796 -4.760 -19.122 1.00 1.00 C ATOM 1199 CD GLU A 77 -4.345 -4.777 -20.575 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -4.700 -3.834 -21.333 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -3.706 -5.775 -21.007 1.00 1.00 O ATOM 0 H GLU A 77 -1.796 -5.457 -18.119 1.00 1.00 H new ATOM 0 HA GLU A 77 -2.604 -2.824 -17.285 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -5.008 -3.342 -17.537 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -4.139 -2.735 -18.932 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -4.495 -5.698 -18.655 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -5.885 -4.727 -19.098 1.00 1.00 H new ATOM 1208 N TRP A 78 -2.740 -4.146 -15.177 1.00 1.00 N ATOM 1209 CA TRP A 78 -3.156 -4.669 -13.914 1.00 1.00 C ATOM 1210 C TRP A 78 -4.546 -4.168 -13.728 1.00 1.00 C ATOM 1211 O TRP A 78 -4.846 -3.001 -13.978 1.00 1.00 O ATOM 1212 CB TRP A 78 -2.252 -4.191 -12.765 1.00 1.00 C ATOM 1213 CG TRP A 78 -0.847 -4.742 -12.718 1.00 1.00 C ATOM 1214 CD1 TRP A 78 0.308 -4.184 -13.185 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -0.456 -5.906 -11.966 1.00 1.00 C ATOM 1216 NE1 TRP A 78 1.392 -4.911 -12.768 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.942 -5.955 -11.994 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.178 -6.840 -11.274 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 1.615 -6.924 -11.301 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -0.489 -7.802 -10.572 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.885 -7.838 -10.580 1.00 1.00 C ATOM 0 H TRP A 78 -2.163 -3.308 -15.103 1.00 1.00 H new ATOM 0 HA TRP A 78 -3.097 -5.757 -13.901 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -2.187 -3.104 -12.816 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -2.743 -4.437 -11.824 1.00 1.00 H new ATOM 0 HD1 TRP A 78 0.360 -3.295 -13.797 1.00 1.00 H new ATOM 0 HE1 TRP A 78 2.367 -4.712 -12.993 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.258 -6.823 -11.279 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 2.694 -6.969 -11.320 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -1.037 -8.541 -10.006 1.00 1.00 H new ATOM 0 HH2 TRP A 78 1.400 -8.597 -10.010 1.00 1.00 H new ATOM 1232 N ILE A 79 -5.509 -5.040 -13.380 1.00 1.00 N ATOM 1233 CA ILE A 79 -6.901 -4.717 -13.347 1.00 1.00 C ATOM 1234 C ILE A 79 -7.425 -5.072 -11.999 1.00 1.00 C ATOM 1235 O ILE A 79 -7.083 -6.090 -11.399 1.00 1.00 O ATOM 1236 CB ILE A 79 -7.628 -5.277 -14.535 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -8.109 -6.736 -14.472 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -6.859 -5.017 -15.842 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -7.035 -7.812 -14.317 1.00 1.00 C ATOM 0 H ILE A 79 -5.311 -6.004 -13.112 1.00 1.00 H new ATOM 0 HA ILE A 79 -7.077 -3.648 -13.463 1.00 1.00 H new ATOM 0 HB ILE A 79 -8.560 -4.712 -14.511 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -8.804 -6.828 -13.638 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -8.672 -6.947 -15.381 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -7.415 -5.436 -16.681 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -6.739 -3.943 -15.986 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -5.877 -5.487 -15.786 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -7.506 -8.794 -14.286 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -6.349 -7.765 -15.162 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -6.483 -7.645 -13.392 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.229 -4.175 -11.400 1.00 1.00 N ATOM 1252 CA CYS A 80 -8.667 -4.280 -10.043 1.00 1.00 C ATOM 1253 C CYS A 80 -9.869 -5.138 -9.845 1.00 1.00 C ATOM 1254 O CYS A 80 -10.941 -4.842 -10.369 1.00 1.00 O ATOM 1255 CB CYS A 80 -9.014 -2.898 -9.463 1.00 1.00 C ATOM 1256 SG CYS A 80 -7.499 -2.011 -8.990 1.00 1.00 S ATOM 0 H CYS A 80 -8.587 -3.348 -11.878 1.00 1.00 H new ATOM 0 HA CYS A 80 -7.822 -4.741 -9.532 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -9.569 -2.316 -10.199 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -9.662 -3.013 -8.594 1.00 1.00 H new ATOM 0 HG CYS A 80 -7.532 -1.743 -7.718 1.00 1.00 H new ATOM 1262 N ASP A 81 -9.800 -6.197 -9.017 1.00 1.00 N ATOM 1263 CA ASP A 81 -10.891 -7.099 -8.820 1.00 1.00 C ATOM 1264 C ASP A 81 -11.853 -6.618 -7.788 1.00 1.00 C ATOM 1265 O ASP A 81 -12.165 -7.290 -6.806 1.00 1.00 O ATOM 1266 CB ASP A 81 -10.320 -8.482 -8.464 1.00 1.00 C ATOM 1267 CG ASP A 81 -11.315 -9.594 -8.769 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -11.840 -9.623 -9.914 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -11.559 -10.471 -7.898 1.00 1.00 O ATOM 0 H ASP A 81 -8.969 -6.430 -8.474 1.00 1.00 H new ATOM 0 HA ASP A 81 -11.466 -7.163 -9.744 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -9.400 -8.652 -9.024 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -10.058 -8.507 -7.406 1.00 1.00 H new ATOM 1274 N ARG A 82 -12.378 -5.393 -7.968 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.315 -4.793 -7.069 1.00 1.00 C ATOM 1276 C ARG A 82 -14.209 -3.918 -7.878 1.00 1.00 C ATOM 1277 O ARG A 82 -14.006 -2.712 -8.007 1.00 1.00 O ATOM 1278 CB ARG A 82 -12.592 -4.051 -5.931 1.00 1.00 C ATOM 1279 CG ARG A 82 -13.303 -4.018 -4.577 1.00 1.00 C ATOM 1280 CD ARG A 82 -14.368 -2.936 -4.390 1.00 1.00 C ATOM 1281 NE ARG A 82 -14.579 -2.809 -2.919 1.00 1.00 N ATOM 1282 CZ ARG A 82 -15.158 -1.727 -2.325 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -15.812 -0.770 -3.047 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -15.123 -1.584 -0.968 1.00 1.00 N ATOM 0 H ARG A 82 -12.143 -4.801 -8.765 1.00 1.00 H new ATOM 0 HA ARG A 82 -13.923 -5.546 -6.568 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -11.614 -4.511 -5.791 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -12.418 -3.023 -6.250 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -13.771 -4.989 -4.414 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -12.550 -3.893 -3.799 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -14.040 -1.989 -4.819 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -15.295 -3.211 -4.894 1.00 1.00 H new ATOM 0 HE ARG A 82 -14.272 -3.577 -2.322 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -15.878 -0.853 -4.061 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -16.235 0.028 -2.572 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -14.662 -2.289 -0.393 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -15.558 -0.772 -0.529 1.00 1.00 H new ATOM 1298 N SER A 83 -15.217 -4.554 -8.501 1.00 1.00 N ATOM 1299 CA SER A 83 -16.277 -3.967 -9.259 1.00 1.00 C ATOM 1300 C SER A 83 -15.955 -3.554 -10.655 1.00 1.00 C ATOM 1301 O SER A 83 -16.752 -3.830 -11.549 1.00 1.00 O ATOM 1302 CB SER A 83 -17.060 -2.840 -8.563 1.00 1.00 C ATOM 1303 OG SER A 83 -17.524 -3.250 -7.285 1.00 1.00 O ATOM 0 H SER A 83 -15.295 -5.571 -8.470 1.00 1.00 H new ATOM 0 HA SER A 83 -16.929 -4.838 -9.326 1.00 1.00 H new ATOM 0 HB2 SER A 83 -16.422 -1.962 -8.457 1.00 1.00 H new ATOM 0 HB3 SER A 83 -17.907 -2.545 -9.183 1.00 1.00 H new ATOM 0 HG SER A 83 -18.016 -2.515 -6.864 1.00 1.00 H new ATOM 1309 N GLY A 84 -14.813 -2.891 -10.910 1.00 1.00 N ATOM 1310 CA GLY A 84 -14.573 -2.236 -12.159 1.00 1.00 C ATOM 1311 C GLY A 84 -13.107 -2.039 -12.333 1.00 1.00 C ATOM 1312 O GLY A 84 -12.478 -1.213 -11.675 1.00 1.00 O ATOM 0 H GLY A 84 -14.047 -2.808 -10.242 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -14.972 -2.833 -12.979 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -15.087 -1.275 -12.184 1.00 1.00 H new ATOM 1316 N GLU A 85 -12.489 -2.884 -13.179 1.00 1.00 N ATOM 1317 CA GLU A 85 -11.106 -3.228 -13.080 1.00 1.00 C ATOM 1318 C GLU A 85 -10.089 -2.374 -13.756 1.00 1.00 C ATOM 1319 O GLU A 85 -9.879 -2.390 -14.967 1.00 1.00 O ATOM 1320 CB GLU A 85 -11.007 -4.718 -13.452 1.00 1.00 C ATOM 1321 CG GLU A 85 -11.340 -5.135 -14.887 1.00 1.00 C ATOM 1322 CD GLU A 85 -12.811 -5.418 -15.153 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -13.638 -4.472 -15.234 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -13.153 -6.617 -15.336 1.00 1.00 O ATOM 0 H GLU A 85 -12.967 -3.341 -13.955 1.00 1.00 H new ATOM 0 HA GLU A 85 -10.809 -3.021 -12.052 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -9.990 -5.046 -13.239 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -11.667 -5.271 -12.784 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -11.010 -4.347 -15.564 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -10.764 -6.028 -15.132 1.00 1.00 H new ATOM 1331 N THR A 86 -9.337 -1.576 -12.979 1.00 1.00 N ATOM 1332 CA THR A 86 -8.257 -0.791 -13.492 1.00 1.00 C ATOM 1333 C THR A 86 -7.308 -0.365 -12.423 1.00 1.00 C ATOM 1334 O THR A 86 -7.717 0.316 -11.485 1.00 1.00 O ATOM 1335 CB THR A 86 -8.692 0.503 -14.113 1.00 1.00 C ATOM 1336 OG1 THR A 86 -9.813 0.361 -14.973 1.00 1.00 O ATOM 1337 CG2 THR A 86 -7.582 1.113 -14.985 1.00 1.00 C ATOM 0 H THR A 86 -9.481 -1.473 -11.974 1.00 1.00 H new ATOM 0 HA THR A 86 -7.803 -1.457 -14.226 1.00 1.00 H new ATOM 0 HB THR A 86 -8.941 1.138 -13.263 1.00 1.00 H new ATOM 0 HG1 THR A 86 -10.052 1.235 -15.347 1.00 1.00 H new ATOM 0 HG21 THR A 86 -7.933 2.049 -15.418 1.00 1.00 H new ATOM 0 HG22 THR A 86 -6.701 1.305 -14.372 1.00 1.00 H new ATOM 0 HG23 THR A 86 -7.323 0.418 -15.784 1.00 1.00 H new ATOM 1345 N PHE A 87 -6.007 -0.695 -12.516 1.00 1.00 N ATOM 1346 CA PHE A 87 -5.042 -0.390 -11.506 1.00 1.00 C ATOM 1347 C PHE A 87 -4.780 1.050 -11.225 1.00 1.00 C ATOM 1348 O PHE A 87 -5.302 1.582 -10.248 1.00 1.00 O ATOM 1349 CB PHE A 87 -3.746 -1.153 -11.829 1.00 1.00 C ATOM 1350 CG PHE A 87 -2.620 -0.986 -10.869 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -2.769 -1.301 -9.540 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -1.402 -0.539 -11.327 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -1.711 -1.166 -8.672 1.00 1.00 C ATOM 1354 CE2 PHE A 87 -0.340 -0.407 -10.465 1.00 1.00 C ATOM 1355 CZ PHE A 87 -0.495 -0.725 -9.135 1.00 1.00 C ATOM 0 H PHE A 87 -5.615 -1.189 -13.318 1.00 1.00 H new ATOM 0 HA PHE A 87 -5.485 -0.721 -10.567 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -3.983 -2.215 -11.896 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -3.403 -0.840 -12.815 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -3.721 -1.656 -9.175 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -1.280 -0.290 -12.371 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -1.836 -1.407 -7.627 1.00 1.00 H new ATOM 0 HE2 PHE A 87 0.613 -0.055 -10.830 1.00 1.00 H new ATOM 0 HZ PHE A 87 0.339 -0.628 -8.456 1.00 1.00 H new ATOM 1365 N TRP A 88 -3.965 1.755 -12.031 1.00 1.00 N ATOM 1366 CA TRP A 88 -3.487 3.070 -11.734 1.00 1.00 C ATOM 1367 C TRP A 88 -4.562 4.095 -11.639 1.00 1.00 C ATOM 1368 O TRP A 88 -4.427 5.113 -10.961 1.00 1.00 O ATOM 1369 CB TRP A 88 -2.496 3.556 -12.805 1.00 1.00 C ATOM 1370 CG TRP A 88 -1.237 2.764 -13.067 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -0.931 2.147 -14.246 1.00 1.00 C ATOM 1372 CD2 TRP A 88 -0.059 2.656 -12.246 1.00 1.00 C ATOM 1373 NE1 TRP A 88 0.340 1.634 -14.206 1.00 1.00 N ATOM 1374 CE2 TRP A 88 0.892 1.941 -12.985 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.244 3.111 -10.992 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 2.138 1.688 -12.480 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 1.493 2.843 -10.484 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.427 2.145 -11.215 1.00 1.00 C ATOM 0 H TRP A 88 -3.626 1.395 -12.923 1.00 1.00 H new ATOM 0 HA TRP A 88 -3.009 2.971 -10.759 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -3.041 3.625 -13.747 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -2.195 4.569 -12.536 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -1.598 2.073 -15.093 1.00 1.00 H new ATOM 0 HE1 TRP A 88 0.798 1.114 -14.954 1.00 1.00 H new ATOM 0 HE3 TRP A 88 -0.480 3.667 -10.415 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 2.873 1.146 -13.057 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 1.746 3.187 -9.492 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.401 1.953 -10.789 1.00 1.00 H new ATOM 1389 N ASP A 89 -5.702 3.837 -12.305 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.865 4.666 -12.326 1.00 1.00 C ATOM 1391 C ASP A 89 -7.707 4.521 -11.105 1.00 1.00 C ATOM 1392 O ASP A 89 -8.150 5.509 -10.520 1.00 1.00 O ATOM 1393 CB ASP A 89 -7.655 4.388 -13.616 1.00 1.00 C ATOM 1394 CG ASP A 89 -8.384 5.642 -14.075 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -7.764 6.445 -14.822 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -9.568 5.840 -13.693 1.00 1.00 O ATOM 0 H ASP A 89 -5.817 2.993 -12.865 1.00 1.00 H new ATOM 0 HA ASP A 89 -6.544 5.708 -12.320 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -6.977 4.047 -14.398 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -8.372 3.585 -13.444 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.941 3.298 -10.595 1.00 1.00 N ATOM 1402 CA LEU A 90 -8.665 3.134 -9.372 1.00 1.00 C ATOM 1403 C LEU A 90 -7.872 3.621 -8.209 1.00 1.00 C ATOM 1404 O LEU A 90 -8.361 4.306 -7.312 1.00 1.00 O ATOM 1405 CB LEU A 90 -9.062 1.670 -9.121 1.00 1.00 C ATOM 1406 CG LEU A 90 -9.964 1.470 -7.891 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -11.274 2.271 -7.965 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -10.291 -0.014 -7.655 1.00 1.00 C ATOM 0 H LEU A 90 -7.631 2.427 -11.026 1.00 1.00 H new ATOM 0 HA LEU A 90 -9.573 3.728 -9.476 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -9.576 1.287 -10.002 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -8.157 1.075 -8.996 1.00 1.00 H new ATOM 0 HG LEU A 90 -9.384 1.850 -7.050 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -11.865 2.086 -7.068 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -11.047 3.335 -8.037 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -11.841 1.961 -8.843 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -10.930 -0.111 -6.777 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -10.808 -0.416 -8.526 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -9.367 -0.569 -7.494 1.00 1.00 H new ATOM 1420 N LEU A 91 -6.559 3.326 -8.241 1.00 1.00 N ATOM 1421 CA LEU A 91 -5.537 3.862 -7.396 1.00 1.00 C ATOM 1422 C LEU A 91 -5.507 5.349 -7.316 1.00 1.00 C ATOM 1423 O LEU A 91 -5.363 5.901 -6.226 1.00 1.00 O ATOM 1424 CB LEU A 91 -4.168 3.324 -7.844 1.00 1.00 C ATOM 1425 CG LEU A 91 -2.982 3.562 -6.895 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -3.095 2.730 -5.607 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -1.667 3.205 -7.613 1.00 1.00 C ATOM 0 H LEU A 91 -6.184 2.658 -8.914 1.00 1.00 H new ATOM 0 HA LEU A 91 -5.776 3.528 -6.386 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -4.262 2.250 -8.006 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -3.926 3.772 -8.808 1.00 1.00 H new ATOM 0 HG LEU A 91 -2.992 4.616 -6.616 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -2.235 2.931 -4.968 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -4.010 2.999 -5.080 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -3.119 1.670 -5.860 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -0.827 3.374 -6.939 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -1.688 2.157 -7.911 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -1.554 3.831 -8.498 1.00 1.00 H new ATOM 1439 N GLU A 92 -5.692 6.067 -8.438 1.00 1.00 N ATOM 1440 CA GLU A 92 -5.870 7.485 -8.500 1.00 1.00 C ATOM 1441 C GLU A 92 -7.078 7.960 -7.769 1.00 1.00 C ATOM 1442 O GLU A 92 -7.004 8.895 -6.974 1.00 1.00 O ATOM 1443 CB GLU A 92 -5.908 7.984 -9.954 1.00 1.00 C ATOM 1444 CG GLU A 92 -6.245 9.460 -10.168 1.00 1.00 C ATOM 1445 CD GLU A 92 -7.716 9.725 -10.460 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -8.175 9.378 -11.581 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -8.410 10.340 -9.607 1.00 1.00 O ATOM 0 H GLU A 92 -5.719 5.630 -9.359 1.00 1.00 H new ATOM 0 HA GLU A 92 -5.001 7.910 -7.997 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -4.935 7.789 -10.406 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -6.638 7.386 -10.499 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -5.955 10.021 -9.279 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -5.647 9.842 -10.995 1.00 1.00 H new ATOM 1454 N GLN A 93 -8.239 7.306 -7.957 1.00 1.00 N ATOM 1455 CA GLN A 93 -9.440 7.624 -7.250 1.00 1.00 C ATOM 1456 C GLN A 93 -9.311 7.458 -5.774 1.00 1.00 C ATOM 1457 O GLN A 93 -9.662 8.340 -4.992 1.00 1.00 O ATOM 1458 CB GLN A 93 -10.601 6.769 -7.784 1.00 1.00 C ATOM 1459 CG GLN A 93 -11.978 7.299 -7.375 1.00 1.00 C ATOM 1460 CD GLN A 93 -13.121 6.430 -7.881 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -13.898 5.879 -7.103 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -13.257 6.324 -9.230 1.00 1.00 N ATOM 0 H GLN A 93 -8.345 6.536 -8.618 1.00 1.00 H new ATOM 0 HA GLN A 93 -9.644 8.680 -7.426 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -10.543 6.728 -8.872 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -10.489 5.748 -7.420 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -12.030 7.362 -6.288 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -12.101 8.312 -7.759 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -12.595 6.794 -9.848 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -14.021 5.775 -9.624 1.00 1.00 H new ATOM 1471 N ALA A 94 -8.726 6.329 -5.341 1.00 1.00 N ATOM 1472 CA ALA A 94 -8.350 6.015 -3.997 1.00 1.00 C ATOM 1473 C ALA A 94 -7.399 6.979 -3.375 1.00 1.00 C ATOM 1474 O ALA A 94 -7.489 7.315 -2.196 1.00 1.00 O ATOM 1475 CB ALA A 94 -7.736 4.605 -3.971 1.00 1.00 C ATOM 0 H ALA A 94 -8.497 5.572 -5.986 1.00 1.00 H new ATOM 0 HA ALA A 94 -9.262 6.074 -3.402 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -7.445 4.354 -2.951 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -8.470 3.882 -4.328 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.858 4.579 -4.616 1.00 1.00 H new ATOM 1481 N ALA A 95 -6.440 7.516 -4.152 1.00 1.00 N ATOM 1482 CA ALA A 95 -5.485 8.475 -3.696 1.00 1.00 C ATOM 1483 C ALA A 95 -6.060 9.839 -3.531 1.00 1.00 C ATOM 1484 O ALA A 95 -5.825 10.516 -2.532 1.00 1.00 O ATOM 1485 CB ALA A 95 -4.288 8.499 -4.664 1.00 1.00 C ATOM 0 H ALA A 95 -6.327 7.272 -5.136 1.00 1.00 H new ATOM 0 HA ALA A 95 -5.156 8.167 -2.703 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -3.556 9.230 -4.320 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -3.827 7.512 -4.697 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -4.632 8.772 -5.661 1.00 1.00 H new ATOM 1491 N THR A 96 -6.912 10.274 -4.477 1.00 1.00 N ATOM 1492 CA THR A 96 -7.726 11.447 -4.422 1.00 1.00 C ATOM 1493 C THR A 96 -8.653 11.457 -3.255 1.00 1.00 C ATOM 1494 O THR A 96 -8.992 12.498 -2.693 1.00 1.00 O ATOM 1495 CB THR A 96 -8.484 11.669 -5.697 1.00 1.00 C ATOM 1496 OG1 THR A 96 -7.595 11.651 -6.804 1.00 1.00 O ATOM 1497 CG2 THR A 96 -9.152 13.054 -5.740 1.00 1.00 C ATOM 0 H THR A 96 -7.040 9.762 -5.350 1.00 1.00 H new ATOM 0 HA THR A 96 -7.031 12.277 -4.291 1.00 1.00 H new ATOM 0 HB THR A 96 -9.231 10.877 -5.743 1.00 1.00 H new ATOM 0 HG1 THR A 96 -7.354 10.725 -7.015 1.00 1.00 H new ATOM 0 HG21 THR A 96 -9.689 13.170 -6.681 1.00 1.00 H new ATOM 0 HG22 THR A 96 -9.852 13.146 -4.909 1.00 1.00 H new ATOM 0 HG23 THR A 96 -8.389 13.828 -5.660 1.00 1.00 H new ATOM 1505 N GLN A 97 -9.047 10.255 -2.800 1.00 1.00 N ATOM 1506 CA GLN A 97 -9.790 9.970 -1.611 1.00 1.00 C ATOM 1507 C GLN A 97 -8.984 10.211 -0.381 1.00 1.00 C ATOM 1508 O GLN A 97 -9.377 10.992 0.483 1.00 1.00 O ATOM 1509 CB GLN A 97 -10.374 8.554 -1.732 1.00 1.00 C ATOM 1510 CG GLN A 97 -10.400 7.593 -0.541 1.00 1.00 C ATOM 1511 CD GLN A 97 -10.598 6.148 -0.972 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -9.877 5.242 -0.556 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -11.603 5.895 -1.854 1.00 1.00 N ATOM 0 H GLN A 97 -8.823 9.403 -3.314 1.00 1.00 H new ATOM 0 HA GLN A 97 -10.627 10.660 -1.507 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -11.404 8.664 -2.072 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -9.827 8.053 -2.531 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -9.466 7.680 0.014 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -11.202 7.881 0.138 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -12.192 6.658 -2.189 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -11.768 4.943 -2.180 1.00 1.00 H new ATOM 1522 N GLN A 98 -7.804 9.581 -0.234 1.00 1.00 N ATOM 1523 CA GLN A 98 -7.006 9.685 0.948 1.00 1.00 C ATOM 1524 C GLN A 98 -6.268 10.967 1.122 1.00 1.00 C ATOM 1525 O GLN A 98 -6.163 11.496 2.228 1.00 1.00 O ATOM 1526 CB GLN A 98 -5.994 8.527 1.015 1.00 1.00 C ATOM 1527 CG GLN A 98 -6.685 7.174 1.185 1.00 1.00 C ATOM 1528 CD GLN A 98 -5.686 6.101 1.592 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -4.979 5.527 0.765 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -5.617 5.801 2.917 1.00 1.00 N ATOM 0 H GLN A 98 -7.395 8.985 -0.954 1.00 1.00 H new ATOM 0 HA GLN A 98 -7.731 9.641 1.760 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -5.394 8.516 0.105 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -5.309 8.692 1.847 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -7.467 7.253 1.940 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -7.170 6.889 0.251 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -6.214 6.292 3.583 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -4.968 5.086 3.245 1.00 1.00 H new ATOM 1539 N ALA A 99 -5.693 11.527 0.043 1.00 1.00 N ATOM 1540 CA ALA A 99 -4.947 12.747 0.095 1.00 1.00 C ATOM 1541 C ALA A 99 -5.820 13.953 0.082 1.00 1.00 C ATOM 1542 O ALA A 99 -5.521 14.959 0.723 1.00 1.00 O ATOM 1543 CB ALA A 99 -3.981 12.806 -1.101 1.00 1.00 C ATOM 0 H ALA A 99 -5.748 11.121 -0.891 1.00 1.00 H new ATOM 0 HA ALA A 99 -4.398 12.752 1.036 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -3.412 13.735 -1.063 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -3.297 11.959 -1.058 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -4.549 12.766 -2.030 1.00 1.00 H new ATOM 1549 N GLY A 100 -6.940 13.914 -0.663 1.00 1.00 N ATOM 1550 CA GLY A 100 -7.790 15.044 -0.867 1.00 1.00 C ATOM 1551 C GLY A 100 -7.245 15.966 -1.903 1.00 1.00 C ATOM 1552 O GLY A 100 -7.352 17.187 -1.798 1.00 1.00 O ATOM 0 H GLY A 100 -7.263 13.071 -1.137 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -8.781 14.704 -1.168 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -7.910 15.583 0.073 1.00 1.00 H new ATOM 1556 N GLU A 101 -6.614 15.378 -2.935 1.00 1.00 N ATOM 1557 CA GLU A 101 -5.825 16.047 -3.921 1.00 1.00 C ATOM 1558 C GLU A 101 -5.557 14.994 -4.941 1.00 1.00 C ATOM 1559 O GLU A 101 -5.426 13.831 -4.564 1.00 1.00 O ATOM 1560 CB GLU A 101 -4.500 16.527 -3.308 1.00 1.00 C ATOM 1561 CG GLU A 101 -3.397 16.911 -4.298 1.00 1.00 C ATOM 1562 CD GLU A 101 -2.151 17.418 -3.585 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -2.182 18.548 -3.027 1.00 1.00 O ATOM 1564 OE2 GLU A 101 -1.117 16.699 -3.598 1.00 1.00 O ATOM 0 H GLU A 101 -6.659 14.371 -3.089 1.00 1.00 H new ATOM 0 HA GLU A 101 -6.324 16.925 -4.333 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -4.708 17.390 -2.675 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -4.118 15.740 -2.658 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -3.140 16.046 -4.909 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -3.768 17.681 -4.975 1.00 1.00 H new ATOM 1571 N THR A 102 -5.469 15.305 -6.247 1.00 1.00 N ATOM 1572 CA THR A 102 -5.191 14.315 -7.240 1.00 1.00 C ATOM 1573 C THR A 102 -3.775 13.857 -7.186 1.00 1.00 C ATOM 1574 O THR A 102 -2.855 14.464 -7.735 1.00 1.00 O ATOM 1575 CB THR A 102 -5.471 14.699 -8.663 1.00 1.00 C ATOM 1576 OG1 THR A 102 -6.823 15.114 -8.798 1.00 1.00 O ATOM 1577 CG2 THR A 102 -5.278 13.507 -9.616 1.00 1.00 C ATOM 0 H THR A 102 -5.591 16.248 -6.616 1.00 1.00 H new ATOM 0 HA THR A 102 -5.893 13.525 -6.972 1.00 1.00 H new ATOM 0 HB THR A 102 -4.777 15.500 -8.917 1.00 1.00 H new ATOM 0 HG1 THR A 102 -6.997 15.365 -9.729 1.00 1.00 H new ATOM 0 HG21 THR A 102 -5.489 13.821 -10.638 1.00 1.00 H new ATOM 0 HG22 THR A 102 -4.250 13.152 -9.550 1.00 1.00 H new ATOM 0 HG23 THR A 102 -5.958 12.703 -9.335 1.00 1.00 H new ATOM 1585 N VAL A 103 -3.554 12.719 -6.504 1.00 1.00 N ATOM 1586 CA VAL A 103 -2.306 12.021 -6.471 1.00 1.00 C ATOM 1587 C VAL A 103 -2.394 10.957 -7.510 1.00 1.00 C ATOM 1588 O VAL A 103 -3.106 9.961 -7.385 1.00 1.00 O ATOM 1589 CB VAL A 103 -2.066 11.416 -5.120 1.00 1.00 C ATOM 1590 CG1 VAL A 103 -0.756 10.610 -5.079 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -2.048 12.524 -4.052 1.00 1.00 C ATOM 0 H VAL A 103 -4.279 12.264 -5.950 1.00 1.00 H new ATOM 0 HA VAL A 103 -1.475 12.699 -6.665 1.00 1.00 H new ATOM 0 HB VAL A 103 -2.880 10.722 -4.911 1.00 1.00 H new ATOM 0 HG11 VAL A 103 -0.619 10.188 -4.083 1.00 1.00 H new ATOM 0 HG12 VAL A 103 -0.802 9.804 -5.811 1.00 1.00 H new ATOM 0 HG13 VAL A 103 0.082 11.266 -5.313 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -1.873 12.081 -3.071 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -1.251 13.233 -4.277 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -3.006 13.043 -4.050 1.00 1.00 H new ATOM 1601 N SER A 104 -1.674 11.171 -8.626 1.00 1.00 N ATOM 1602 CA SER A 104 -1.753 10.360 -9.800 1.00 1.00 C ATOM 1603 C SER A 104 -0.383 10.006 -10.268 1.00 1.00 C ATOM 1604 O SER A 104 0.533 10.827 -10.286 1.00 1.00 O ATOM 1605 CB SER A 104 -2.551 11.013 -10.940 1.00 1.00 C ATOM 1606 OG SER A 104 -2.085 12.317 -11.258 1.00 1.00 O ATOM 0 H SER A 104 -1.010 11.940 -8.713 1.00 1.00 H new ATOM 0 HA SER A 104 -2.297 9.458 -9.520 1.00 1.00 H new ATOM 0 HB2 SER A 104 -2.490 10.383 -11.828 1.00 1.00 H new ATOM 0 HB3 SER A 104 -3.603 11.066 -10.658 1.00 1.00 H new ATOM 0 HG SER A 104 -2.623 12.688 -11.989 1.00 1.00 H new ATOM 1612 N PHE A 105 -0.183 8.734 -10.658 1.00 1.00 N ATOM 1613 CA PHE A 105 1.060 8.230 -11.155 1.00 1.00 C ATOM 1614 C PHE A 105 1.134 8.286 -12.642 1.00 1.00 C ATOM 1615 O PHE A 105 2.198 8.080 -13.223 1.00 1.00 O ATOM 1616 CB PHE A 105 1.222 6.772 -10.691 1.00 1.00 C ATOM 1617 CG PHE A 105 1.582 6.681 -9.247 1.00 1.00 C ATOM 1618 CD1 PHE A 105 2.736 7.256 -8.770 1.00 1.00 C ATOM 1619 CD2 PHE A 105 0.788 5.975 -8.376 1.00 1.00 C ATOM 1620 CE1 PHE A 105 3.096 7.127 -7.450 1.00 1.00 C ATOM 1621 CE2 PHE A 105 1.142 5.829 -7.056 1.00 1.00 C ATOM 1622 CZ PHE A 105 2.299 6.409 -6.590 1.00 1.00 C ATOM 0 H PHE A 105 -0.918 8.028 -10.626 1.00 1.00 H new ATOM 0 HA PHE A 105 1.862 8.856 -10.763 1.00 1.00 H new ATOM 0 HB2 PHE A 105 0.293 6.230 -10.868 1.00 1.00 H new ATOM 0 HB3 PHE A 105 1.993 6.285 -11.288 1.00 1.00 H new ATOM 0 HD1 PHE A 105 3.369 7.817 -9.442 1.00 1.00 H new ATOM 0 HD2 PHE A 105 -0.128 5.528 -8.734 1.00 1.00 H new ATOM 0 HE1 PHE A 105 4.003 7.589 -7.089 1.00 1.00 H new ATOM 0 HE2 PHE A 105 0.514 5.260 -6.387 1.00 1.00 H new ATOM 0 HZ PHE A 105 2.580 6.301 -5.553 1.00 1.00 H new ATOM 1632 N ARG A 106 0.003 8.577 -13.309 1.00 1.00 N ATOM 1633 CA ARG A 106 -0.086 8.718 -14.729 1.00 1.00 C ATOM 1634 C ARG A 106 0.054 10.187 -15.099 1.00 1.00 C ATOM 1635 O ARG A 106 1.110 10.574 -15.667 1.00 1.00 O ATOM 1636 CB ARG A 106 -1.419 8.168 -15.264 1.00 1.00 C ATOM 1637 CG ARG A 106 -1.524 6.642 -15.254 1.00 1.00 C ATOM 1638 CD ARG A 106 -0.748 5.910 -16.351 1.00 1.00 C ATOM 1639 NE ARG A 106 -1.427 6.172 -17.651 1.00 1.00 N ATOM 1640 CZ ARG A 106 -0.969 6.990 -18.642 1.00 1.00 C ATOM 1641 NH1 ARG A 106 0.271 7.563 -18.627 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -1.776 7.273 -19.707 1.00 1.00 N ATOM 1643 OXT ARG A 106 -0.877 10.997 -14.837 1.00 1.00 O ATOM 0 H ARG A 106 -0.890 8.720 -12.837 1.00 1.00 H new ATOM 0 HA ARG A 106 0.720 8.142 -15.184 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -2.233 8.580 -14.668 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -1.561 8.523 -16.285 1.00 1.00 H new ATOM 0 HG2 ARG A 106 -1.176 6.280 -14.287 1.00 1.00 H new ATOM 0 HG3 ARG A 106 -2.576 6.369 -15.337 1.00 1.00 H new ATOM 0 HD2 ARG A 106 0.284 6.258 -16.384 1.00 1.00 H new ATOM 0 HD3 ARG A 106 -0.717 4.840 -16.146 1.00 1.00 H new ATOM 0 HE ARG A 106 -2.315 5.697 -17.815 1.00 1.00 H new ATOM 0 HH11 ARG A 106 0.905 7.386 -17.848 1.00 1.00 H new ATOM 0 HH12 ARG A 106 0.563 8.167 -19.395 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -2.713 6.874 -19.757 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -1.441 7.884 -20.452 1.00 1.00 H new TER 1657 ARG A 106