USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.517 K(o=-0.52,f=-1.7) USER MOD Single : A 8 MET CE :methyl -142:sc= -5.11! (180deg=-7.66!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 30:sc= -3.44! USER MOD Single : A 19 SER OG : rot -92:sc= 0.456! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.252 K(o=-0.25,f=-2.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -112:sc= 0.0947 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc=-0.00469 X(o=-0.0047,f=-0.27) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 22:sc= -1.82 USER MOD Single : A 54 ASN : amide:sc= -1.04 K(o=-1,f=-3.8!) USER MOD Single : A 55 SER OG : rot -17:sc= -0.803 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -13.2! C(o=-15!,f=-13!) USER MOD Single : A 68 THR OG1 : rot -147:sc= -1.7! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.000186 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 0.985 -13.345 1.505 1.00 0.00 N ATOM 2 CA ARG A 1 2.075 -12.455 1.144 1.00 0.00 C ATOM 3 C ARG A 1 2.651 -12.846 -0.218 1.00 0.00 C ATOM 4 O ARG A 1 3.668 -13.534 -0.291 1.00 0.00 O ATOM 5 CB ARG A 1 3.189 -12.494 2.192 1.00 0.00 C ATOM 6 CG ARG A 1 3.725 -11.089 2.476 1.00 0.00 C ATOM 7 CD ARG A 1 5.225 -11.123 2.771 1.00 0.00 C ATOM 8 NE ARG A 1 5.606 -9.956 3.596 1.00 0.00 N ATOM 9 CZ ARG A 1 5.524 -9.921 4.933 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.075 -10.989 5.605 1.00 0.00 N ATOM 11 NH2 ARG A 1 5.892 -8.817 5.598 1.00 0.00 N ATOM 0 H1 ARG A 1 0.603 -13.068 2.432 1.00 0.00 H new ATOM 0 H2 ARG A 1 0.234 -13.282 0.788 1.00 0.00 H new ATOM 0 H3 ARG A 1 1.337 -14.323 1.553 1.00 0.00 H new ATOM 0 HA ARG A 1 1.674 -11.443 1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.811 -12.936 3.114 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.000 -13.133 1.842 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.534 -10.443 1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.194 -10.658 3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.480 -12.046 3.292 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.788 -11.118 1.837 1.00 0.00 H new ATOM 0 HE ARG A 1 5.953 -9.125 3.117 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.795 -11.829 5.099 1.00 0.00 H new ATOM 0 HH12 ARG A 1 5.013 -10.962 6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 1 6.234 -8.004 5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 1 5.830 -8.790 6.616 1.00 0.00 H new ATOM 25 N SER A 2 1.977 -12.391 -1.264 1.00 0.00 N ATOM 26 CA SER A 2 2.409 -12.684 -2.619 1.00 0.00 C ATOM 27 C SER A 2 1.517 -11.953 -3.623 1.00 0.00 C ATOM 28 O SER A 2 0.681 -11.137 -3.237 1.00 0.00 O ATOM 29 CB SER A 2 2.388 -14.191 -2.890 1.00 0.00 C ATOM 30 OG SER A 2 1.096 -14.643 -3.283 1.00 0.00 O ATOM 0 H SER A 2 1.134 -11.821 -1.200 1.00 0.00 H new ATOM 0 HA SER A 2 3.435 -12.335 -2.733 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.109 -14.429 -3.672 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.702 -14.725 -1.993 1.00 0.00 H new ATOM 0 HG SER A 2 1.124 -15.609 -3.449 1.00 0.00 H new ATOM 36 N ALA A 3 1.726 -12.270 -4.893 1.00 0.00 N ATOM 37 CA ALA A 3 0.951 -11.652 -5.956 1.00 0.00 C ATOM 38 C ALA A 3 1.437 -10.217 -6.167 1.00 0.00 C ATOM 39 O ALA A 3 1.950 -9.882 -7.234 1.00 0.00 O ATOM 40 CB ALA A 3 -0.537 -11.718 -5.607 1.00 0.00 C ATOM 0 H ALA A 3 2.421 -12.947 -5.210 1.00 0.00 H new ATOM 0 HA ALA A 3 1.090 -12.189 -6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.119 -11.255 -6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.839 -12.759 -5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.715 -11.187 -4.672 1.00 0.00 H new ATOM 46 N LEU A 4 1.258 -9.407 -5.134 1.00 0.00 N ATOM 47 CA LEU A 4 1.672 -8.015 -5.193 1.00 0.00 C ATOM 48 C LEU A 4 2.708 -7.749 -4.099 1.00 0.00 C ATOM 49 O LEU A 4 3.909 -7.731 -4.368 1.00 0.00 O ATOM 50 CB LEU A 4 0.455 -7.090 -5.126 1.00 0.00 C ATOM 51 CG LEU A 4 -0.454 -7.087 -6.356 1.00 0.00 C ATOM 52 CD1 LEU A 4 -1.477 -5.952 -6.279 1.00 0.00 C ATOM 53 CD2 LEU A 4 0.370 -7.032 -7.645 1.00 0.00 C ATOM 0 H LEU A 4 0.832 -9.688 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 4 2.153 -7.801 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.142 -7.370 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.806 -6.072 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.013 -8.022 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.111 -5.973 -7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.094 -6.078 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.956 -4.996 -6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.300 -7.031 -8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.973 -6.124 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.025 -7.902 -7.696 1.00 0.00 H new ATOM 65 N SER A 5 2.207 -7.549 -2.890 1.00 0.00 N ATOM 66 CA SER A 5 3.073 -7.284 -1.754 1.00 0.00 C ATOM 67 C SER A 5 3.844 -5.982 -1.977 1.00 0.00 C ATOM 68 O SER A 5 3.444 -4.927 -1.485 1.00 0.00 O ATOM 69 CB SER A 5 4.045 -8.442 -1.521 1.00 0.00 C ATOM 70 OG SER A 5 3.390 -9.588 -0.982 1.00 0.00 O ATOM 0 H SER A 5 1.211 -7.565 -2.672 1.00 0.00 H new ATOM 0 HA SER A 5 2.450 -7.183 -0.865 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.525 -8.708 -2.463 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.834 -8.122 -0.841 1.00 0.00 H new ATOM 0 HG SER A 5 4.044 -10.306 -0.849 1.00 0.00 H new ATOM 76 N CYS A 6 4.936 -6.097 -2.719 1.00 0.00 N ATOM 77 CA CYS A 6 5.767 -4.941 -3.013 1.00 0.00 C ATOM 78 C CYS A 6 4.893 -3.880 -3.685 1.00 0.00 C ATOM 79 O CYS A 6 4.669 -2.810 -3.124 1.00 0.00 O ATOM 80 CB CYS A 6 6.974 -5.317 -3.874 1.00 0.00 C ATOM 81 SG CYS A 6 8.169 -3.960 -4.155 1.00 0.00 S ATOM 0 H CYS A 6 5.265 -6.973 -3.125 1.00 0.00 H new ATOM 0 HA CYS A 6 6.177 -4.538 -2.087 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.495 -6.149 -3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.617 -5.673 -4.840 1.00 0.00 H new ATOM 86 N GLN A 7 4.425 -4.215 -4.878 1.00 0.00 N ATOM 87 CA GLN A 7 3.582 -3.304 -5.634 1.00 0.00 C ATOM 88 C GLN A 7 2.623 -2.568 -4.696 1.00 0.00 C ATOM 89 O GLN A 7 2.566 -1.340 -4.701 1.00 0.00 O ATOM 90 CB GLN A 7 2.815 -4.048 -6.729 1.00 0.00 C ATOM 91 CG GLN A 7 3.579 -4.013 -8.054 1.00 0.00 C ATOM 92 CD GLN A 7 2.768 -4.670 -9.173 1.00 0.00 C ATOM 93 OE1 GLN A 7 1.560 -4.523 -9.268 1.00 0.00 O ATOM 94 NE2 GLN A 7 3.497 -5.400 -10.012 1.00 0.00 N ATOM 0 H GLN A 7 4.613 -5.105 -5.340 1.00 0.00 H new ATOM 0 HA GLN A 7 4.221 -2.567 -6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.653 -5.082 -6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.832 -3.596 -6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.804 -2.980 -8.321 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.533 -4.528 -7.941 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.504 -5.481 -9.875 1.00 0.00 H new ATOM 0 HE22 GLN A 7 3.049 -5.879 -10.793 1.00 0.00 H new ATOM 103 N MET A 8 1.893 -3.351 -3.914 1.00 0.00 N ATOM 104 CA MET A 8 0.941 -2.789 -2.973 1.00 0.00 C ATOM 105 C MET A 8 1.555 -1.618 -2.203 1.00 0.00 C ATOM 106 O MET A 8 0.883 -0.621 -1.942 1.00 0.00 O ATOM 107 CB MET A 8 0.497 -3.872 -1.987 1.00 0.00 C ATOM 108 CG MET A 8 -0.188 -5.029 -2.716 1.00 0.00 C ATOM 109 SD MET A 8 -1.428 -5.764 -1.664 1.00 0.00 S ATOM 110 CE MET A 8 -1.993 -7.084 -2.726 1.00 0.00 C ATOM 0 H MET A 8 1.943 -4.370 -3.914 1.00 0.00 H new ATOM 0 HA MET A 8 0.082 -2.420 -3.533 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.361 -4.245 -1.437 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.187 -3.444 -1.254 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.647 -4.669 -3.637 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.550 -5.779 -3.000 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.071 -7.201 -2.619 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.755 -6.844 -3.762 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.498 -8.014 -2.446 1.00 0.00 H new ATOM 120 N CYS A 9 2.825 -1.778 -1.860 1.00 0.00 N ATOM 121 CA CYS A 9 3.537 -0.747 -1.126 1.00 0.00 C ATOM 122 C CYS A 9 3.625 0.498 -2.010 1.00 0.00 C ATOM 123 O CYS A 9 3.525 1.622 -1.518 1.00 0.00 O ATOM 124 CB CYS A 9 4.919 -1.225 -0.674 1.00 0.00 C ATOM 125 SG CYS A 9 6.270 -0.901 -1.865 1.00 0.00 S ATOM 0 H CYS A 9 3.379 -2.607 -2.077 1.00 0.00 H new ATOM 0 HA CYS A 9 2.992 -0.506 -0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.164 -0.742 0.272 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.872 -2.297 -0.482 1.00 0.00 H new ATOM 130 N GLU A 10 3.814 0.258 -3.299 1.00 0.00 N ATOM 131 CA GLU A 10 3.916 1.346 -4.256 1.00 0.00 C ATOM 132 C GLU A 10 2.542 1.977 -4.493 1.00 0.00 C ATOM 133 O GLU A 10 2.430 2.985 -5.188 1.00 0.00 O ATOM 134 CB GLU A 10 4.534 0.864 -5.570 1.00 0.00 C ATOM 135 CG GLU A 10 5.985 1.331 -5.699 1.00 0.00 C ATOM 136 CD GLU A 10 6.872 0.219 -6.263 1.00 0.00 C ATOM 137 OE1 GLU A 10 6.362 -0.531 -7.123 1.00 0.00 O ATOM 138 OE2 GLU A 10 8.038 0.144 -5.819 1.00 0.00 O ATOM 0 H GLU A 10 3.899 -0.675 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 10 4.576 2.108 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.493 -0.224 -5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.951 1.242 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.033 2.204 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.359 1.640 -4.723 1.00 0.00 H new ATOM 146 N LEU A 11 1.532 1.355 -3.903 1.00 0.00 N ATOM 147 CA LEU A 11 0.170 1.842 -4.042 1.00 0.00 C ATOM 148 C LEU A 11 -0.151 2.784 -2.879 1.00 0.00 C ATOM 149 O LEU A 11 -0.638 3.892 -3.091 1.00 0.00 O ATOM 150 CB LEU A 11 -0.806 0.672 -4.174 1.00 0.00 C ATOM 151 CG LEU A 11 -2.293 1.035 -4.164 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.628 2.008 -5.295 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.164 -0.222 -4.212 1.00 0.00 C ATOM 0 H LEU A 11 1.629 0.518 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 11 0.063 2.420 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.587 0.145 -5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.617 -0.027 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.514 1.544 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.691 2.249 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.045 2.921 -5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.387 1.548 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.216 0.064 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.947 -0.781 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.951 -0.846 -3.344 1.00 0.00 H new ATOM 165 N VAL A 12 0.134 2.306 -1.677 1.00 0.00 N ATOM 166 CA VAL A 12 -0.118 3.091 -0.481 1.00 0.00 C ATOM 167 C VAL A 12 0.757 4.346 -0.506 1.00 0.00 C ATOM 168 O VAL A 12 0.280 5.445 -0.228 1.00 0.00 O ATOM 169 CB VAL A 12 0.104 2.233 0.765 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.707 0.938 0.690 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.591 1.936 0.969 1.00 0.00 C ATOM 0 H VAL A 12 0.537 1.385 -1.506 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.157 3.419 -0.452 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.246 2.799 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.531 0.346 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.768 1.177 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.401 0.367 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.721 1.324 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.977 1.399 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.136 2.872 1.088 1.00 0.00 H new ATOM 181 N VAL A 13 2.022 4.140 -0.840 1.00 0.00 N ATOM 182 CA VAL A 13 2.968 5.241 -0.904 1.00 0.00 C ATOM 183 C VAL A 13 2.542 6.211 -2.009 1.00 0.00 C ATOM 184 O VAL A 13 2.294 7.386 -1.747 1.00 0.00 O ATOM 185 CB VAL A 13 4.387 4.702 -1.098 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.780 3.770 0.051 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.526 3.997 -2.447 1.00 0.00 C ATOM 0 H VAL A 13 2.414 3.227 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 13 2.970 5.796 0.034 1.00 0.00 H new ATOM 0 HB VAL A 13 5.072 5.550 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.793 3.400 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.739 4.317 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.088 2.928 0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.544 3.624 -2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.826 3.163 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.307 4.701 -3.250 1.00 0.00 H new ATOM 197 N LYS A 14 2.469 5.681 -3.221 1.00 0.00 N ATOM 198 CA LYS A 14 2.076 6.484 -4.367 1.00 0.00 C ATOM 199 C LYS A 14 0.854 7.327 -3.998 1.00 0.00 C ATOM 200 O LYS A 14 0.666 8.420 -4.530 1.00 0.00 O ATOM 201 CB LYS A 14 1.864 5.597 -5.595 1.00 0.00 C ATOM 202 CG LYS A 14 1.334 6.413 -6.776 1.00 0.00 C ATOM 203 CD LYS A 14 2.137 6.125 -8.046 1.00 0.00 C ATOM 204 CE LYS A 14 1.335 5.255 -9.015 1.00 0.00 C ATOM 205 NZ LYS A 14 0.587 6.099 -9.974 1.00 0.00 N ATOM 0 H LYS A 14 2.675 4.705 -3.435 1.00 0.00 H new ATOM 0 HA LYS A 14 2.872 7.178 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.805 5.121 -5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.161 4.799 -5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.283 6.176 -6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.387 7.476 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.406 7.063 -8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.068 5.622 -7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.007 4.589 -9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.641 4.625 -8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.048 5.492 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.068 6.717 -9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.255 6.682 -10.518 1.00 0.00 H new ATOM 219 N LYS A 15 0.054 6.787 -3.091 1.00 0.00 N ATOM 220 CA LYS A 15 -1.145 7.475 -2.646 1.00 0.00 C ATOM 221 C LYS A 15 -0.771 8.499 -1.573 1.00 0.00 C ATOM 222 O LYS A 15 -1.307 9.607 -1.552 1.00 0.00 O ATOM 223 CB LYS A 15 -2.205 6.469 -2.193 1.00 0.00 C ATOM 224 CG LYS A 15 -2.792 5.714 -3.388 1.00 0.00 C ATOM 225 CD LYS A 15 -3.680 6.631 -4.232 1.00 0.00 C ATOM 226 CE LYS A 15 -4.320 5.859 -5.387 1.00 0.00 C ATOM 227 NZ LYS A 15 -4.688 6.781 -6.485 1.00 0.00 N ATOM 0 H LYS A 15 0.213 5.880 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.596 8.026 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.763 5.761 -1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.001 6.989 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.985 5.316 -4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.374 4.862 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.458 7.067 -3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.087 7.457 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.626 5.103 -5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.207 5.333 -5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.121 6.241 -7.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.366 7.486 -6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.835 7.264 -6.833 1.00 0.00 H new ATOM 241 N TYR A 16 0.145 8.093 -0.705 1.00 0.00 N ATOM 242 CA TYR A 16 0.597 8.961 0.368 1.00 0.00 C ATOM 243 C TYR A 16 1.544 10.039 -0.161 1.00 0.00 C ATOM 244 O TYR A 16 1.204 11.221 -0.165 1.00 0.00 O ATOM 245 CB TYR A 16 1.360 8.062 1.343 1.00 0.00 C ATOM 246 CG TYR A 16 1.895 8.795 2.576 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.588 10.126 2.774 1.00 0.00 C ATOM 248 CD2 TYR A 16 2.682 8.125 3.490 1.00 0.00 C ATOM 249 CE1 TYR A 16 2.092 10.815 3.934 1.00 0.00 C ATOM 250 CE2 TYR A 16 3.185 8.814 4.650 1.00 0.00 C ATOM 251 CZ TYR A 16 2.864 10.125 4.814 1.00 0.00 C ATOM 252 OH TYR A 16 3.339 10.776 5.910 1.00 0.00 O ATOM 0 H TYR A 16 0.586 7.174 -0.724 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.248 9.464 0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.702 7.256 1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.195 7.599 0.817 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.970 10.650 2.060 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.921 7.083 3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.861 11.857 4.101 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.803 8.302 5.373 1.00 0.00 H new ATOM 0 HH TYR A 16 2.710 11.482 6.169 1.00 0.00 H new ATOM 262 N GLU A 17 2.714 9.594 -0.595 1.00 0.00 N ATOM 263 CA GLU A 17 3.712 10.506 -1.126 1.00 0.00 C ATOM 264 C GLU A 17 3.077 11.455 -2.144 1.00 0.00 C ATOM 265 O GLU A 17 3.432 12.631 -2.209 1.00 0.00 O ATOM 266 CB GLU A 17 4.881 9.739 -1.745 1.00 0.00 C ATOM 267 CG GLU A 17 4.490 9.144 -3.100 1.00 0.00 C ATOM 268 CD GLU A 17 4.513 10.212 -4.195 1.00 0.00 C ATOM 269 OE1 GLU A 17 5.396 11.092 -4.112 1.00 0.00 O ATOM 270 OE2 GLU A 17 3.647 10.124 -5.092 1.00 0.00 O ATOM 0 H GLU A 17 2.993 8.613 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 17 4.107 11.101 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.734 10.407 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.196 8.942 -1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.176 8.338 -3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.494 8.706 -3.035 1.00 0.00 H new ATOM 278 N GLY A 18 2.148 10.908 -2.915 1.00 0.00 N ATOM 279 CA GLY A 18 1.460 11.691 -3.927 1.00 0.00 C ATOM 280 C GLY A 18 -0.012 11.893 -3.557 1.00 0.00 C ATOM 281 O GLY A 18 -0.873 11.950 -4.434 1.00 0.00 O ATOM 0 H GLY A 18 1.856 9.932 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.948 12.660 -4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.531 11.188 -4.891 1.00 0.00 H new ATOM 285 N SER A 19 -0.253 11.996 -2.259 1.00 0.00 N ATOM 286 CA SER A 19 -1.605 12.191 -1.763 1.00 0.00 C ATOM 287 C SER A 19 -2.052 13.632 -2.015 1.00 0.00 C ATOM 288 O SER A 19 -3.023 13.868 -2.733 1.00 0.00 O ATOM 289 CB SER A 19 -1.698 11.858 -0.272 1.00 0.00 C ATOM 290 OG SER A 19 -1.500 13.009 0.544 1.00 0.00 O ATOM 0 H SER A 19 0.464 11.948 -1.535 1.00 0.00 H new ATOM 0 HA SER A 19 -2.268 11.513 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.675 11.425 -0.057 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.953 11.103 -0.022 1.00 0.00 H new ATOM 0 HG SER A 19 -0.551 13.087 0.775 1.00 0.00 H new ATOM 296 N ALA A 20 -1.324 14.558 -1.409 1.00 0.00 N ATOM 297 CA ALA A 20 -1.634 15.970 -1.559 1.00 0.00 C ATOM 298 C ALA A 20 -2.725 16.357 -0.559 1.00 0.00 C ATOM 299 O ALA A 20 -3.062 17.533 -0.426 1.00 0.00 O ATOM 300 CB ALA A 20 -2.043 16.253 -3.006 1.00 0.00 C ATOM 0 H ALA A 20 -0.520 14.359 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.757 16.580 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.275 17.312 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.223 15.989 -3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.922 15.660 -3.258 1.00 0.00 H new ATOM 306 N ASP A 21 -3.247 15.346 0.119 1.00 0.00 N ATOM 307 CA ASP A 21 -4.293 15.565 1.103 1.00 0.00 C ATOM 308 C ASP A 21 -3.712 15.392 2.508 1.00 0.00 C ATOM 309 O ASP A 21 -4.279 15.879 3.483 1.00 0.00 O ATOM 310 CB ASP A 21 -5.430 14.555 0.934 1.00 0.00 C ATOM 311 CG ASP A 21 -6.692 14.859 1.743 1.00 0.00 C ATOM 312 OD1 ASP A 21 -7.058 16.054 1.796 1.00 0.00 O ATOM 313 OD2 ASP A 21 -7.262 13.891 2.292 1.00 0.00 O ATOM 0 H ASP A 21 -2.965 14.372 0.006 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.682 16.573 0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.697 14.505 -0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.064 13.568 1.218 1.00 0.00 H new ATOM 319 N LYS A 22 -2.586 14.695 2.565 1.00 0.00 N ATOM 320 CA LYS A 22 -1.921 14.450 3.834 1.00 0.00 C ATOM 321 C LYS A 22 -2.907 13.798 4.804 1.00 0.00 C ATOM 322 O LYS A 22 -3.070 14.258 5.933 1.00 0.00 O ATOM 323 CB LYS A 22 -1.296 15.740 4.368 1.00 0.00 C ATOM 324 CG LYS A 22 -0.640 16.540 3.240 1.00 0.00 C ATOM 325 CD LYS A 22 0.506 15.750 2.603 1.00 0.00 C ATOM 326 CE LYS A 22 1.856 16.400 2.910 1.00 0.00 C ATOM 327 NZ LYS A 22 2.850 15.373 3.294 1.00 0.00 N ATOM 0 H LYS A 22 -2.118 14.292 1.753 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.094 13.752 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.062 16.347 4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.553 15.500 5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.384 16.784 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.262 17.485 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.498 14.726 2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.361 15.697 1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.209 16.948 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.743 17.124 3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.761 15.831 3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.518 14.868 4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.971 14.697 2.513 1.00 0.00 H new ATOM 341 N ASP A 23 -3.539 12.734 4.329 1.00 0.00 N ATOM 342 CA ASP A 23 -4.505 12.012 5.141 1.00 0.00 C ATOM 343 C ASP A 23 -4.277 10.509 4.980 1.00 0.00 C ATOM 344 O ASP A 23 -4.924 9.864 4.155 1.00 0.00 O ATOM 345 CB ASP A 23 -5.936 12.325 4.700 1.00 0.00 C ATOM 346 CG ASP A 23 -6.884 12.737 5.829 1.00 0.00 C ATOM 347 OD1 ASP A 23 -7.409 11.817 6.493 1.00 0.00 O ATOM 348 OD2 ASP A 23 -7.063 13.962 6.001 1.00 0.00 O ATOM 0 H ASP A 23 -3.401 12.355 3.392 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.372 12.319 6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.906 13.125 3.961 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.347 11.447 4.202 1.00 0.00 H new ATOM 354 N ALA A 24 -3.357 9.992 5.780 1.00 0.00 N ATOM 355 CA ALA A 24 -3.036 8.576 5.737 1.00 0.00 C ATOM 356 C ALA A 24 -4.328 7.769 5.593 1.00 0.00 C ATOM 357 O ALA A 24 -4.321 6.673 5.033 1.00 0.00 O ATOM 358 CB ALA A 24 -2.247 8.192 6.990 1.00 0.00 C ATOM 0 H ALA A 24 -2.823 10.529 6.463 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.408 8.352 4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.006 7.129 6.957 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.325 8.772 7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.847 8.401 7.876 1.00 0.00 H new ATOM 364 N ASN A 25 -5.406 8.343 6.105 1.00 0.00 N ATOM 365 CA ASN A 25 -6.703 7.691 6.040 1.00 0.00 C ATOM 366 C ASN A 25 -7.136 7.570 4.578 1.00 0.00 C ATOM 367 O ASN A 25 -7.468 6.482 4.112 1.00 0.00 O ATOM 368 CB ASN A 25 -7.766 8.503 6.783 1.00 0.00 C ATOM 369 CG ASN A 25 -8.250 7.763 8.031 1.00 0.00 C ATOM 370 OD1 ASN A 25 -7.649 6.803 8.487 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.365 8.260 8.558 1.00 0.00 N ATOM 0 H ASN A 25 -5.408 9.252 6.567 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.610 6.709 6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.355 9.472 7.067 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.610 8.696 6.121 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.767 7.836 9.394 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.818 9.066 8.127 1.00 0.00 H new ATOM 378 N VAL A 26 -7.119 8.705 3.894 1.00 0.00 N ATOM 379 CA VAL A 26 -7.506 8.741 2.494 1.00 0.00 C ATOM 380 C VAL A 26 -6.386 8.138 1.644 1.00 0.00 C ATOM 381 O VAL A 26 -6.521 8.016 0.428 1.00 0.00 O ATOM 382 CB VAL A 26 -7.862 10.172 2.086 1.00 0.00 C ATOM 383 CG1 VAL A 26 -8.666 10.186 0.783 1.00 0.00 C ATOM 384 CG2 VAL A 26 -8.619 10.890 3.205 1.00 0.00 C ATOM 0 H VAL A 26 -6.843 9.606 4.284 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.399 8.139 2.329 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.931 10.712 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.906 11.215 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.076 9.732 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.588 9.621 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.860 11.905 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.540 10.351 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.997 10.927 4.100 1.00 0.00 H new ATOM 394 N ILE A 27 -5.303 7.777 2.319 1.00 0.00 N ATOM 395 CA ILE A 27 -4.161 7.190 1.641 1.00 0.00 C ATOM 396 C ILE A 27 -4.322 5.669 1.602 1.00 0.00 C ATOM 397 O ILE A 27 -4.199 5.054 0.543 1.00 0.00 O ATOM 398 CB ILE A 27 -2.856 7.654 2.291 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.665 9.163 2.123 1.00 0.00 C ATOM 400 CG2 ILE A 27 -1.662 6.862 1.752 1.00 0.00 C ATOM 401 CD1 ILE A 27 -1.421 9.646 2.873 1.00 0.00 C ATOM 0 H ILE A 27 -5.194 7.880 3.328 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.115 7.532 0.607 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.919 7.454 3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.573 9.406 1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.545 9.688 2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.747 7.212 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.801 5.802 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.586 7.007 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.309 10.722 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.527 9.424 3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.540 9.137 2.482 1.00 0.00 H new ATOM 413 N LYS A 28 -4.594 5.105 2.770 1.00 0.00 N ATOM 414 CA LYS A 28 -4.774 3.668 2.883 1.00 0.00 C ATOM 415 C LYS A 28 -6.058 3.259 2.157 1.00 0.00 C ATOM 416 O LYS A 28 -6.116 2.196 1.543 1.00 0.00 O ATOM 417 CB LYS A 28 -4.733 3.236 4.350 1.00 0.00 C ATOM 418 CG LYS A 28 -3.611 3.956 5.102 1.00 0.00 C ATOM 419 CD LYS A 28 -4.112 4.504 6.440 1.00 0.00 C ATOM 420 CE LYS A 28 -4.357 3.372 7.439 1.00 0.00 C ATOM 421 NZ LYS A 28 -5.392 3.764 8.424 1.00 0.00 N ATOM 0 H LYS A 28 -4.694 5.618 3.646 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.952 3.143 2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.691 3.453 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.584 2.158 4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.783 3.268 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.225 4.773 4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.381 5.202 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.035 5.063 6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.673 2.473 6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.429 3.128 7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.546 2.984 9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.076 4.609 8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.281 3.975 7.928 1.00 0.00 H new ATOM 435 N LYS A 29 -7.055 4.127 2.253 1.00 0.00 N ATOM 436 CA LYS A 29 -8.333 3.870 1.613 1.00 0.00 C ATOM 437 C LYS A 29 -8.144 3.844 0.095 1.00 0.00 C ATOM 438 O LYS A 29 -8.525 2.880 -0.566 1.00 0.00 O ATOM 439 CB LYS A 29 -9.381 4.880 2.085 1.00 0.00 C ATOM 440 CG LYS A 29 -10.127 4.361 3.316 1.00 0.00 C ATOM 441 CD LYS A 29 -10.455 5.504 4.280 1.00 0.00 C ATOM 442 CE LYS A 29 -11.389 6.523 3.624 1.00 0.00 C ATOM 443 NZ LYS A 29 -12.779 6.016 3.605 1.00 0.00 N ATOM 0 H LYS A 29 -7.003 5.008 2.764 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.714 2.891 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.897 5.828 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.091 5.076 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.047 3.866 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.519 3.613 3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.922 5.103 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.534 5.997 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.347 7.466 4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.056 6.727 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.399 6.720 3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.817 5.127 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.099 5.844 4.579 1.00 0.00 H new ATOM 457 N ASP A 30 -7.555 4.917 -0.414 1.00 0.00 N ATOM 458 CA ASP A 30 -7.310 5.030 -1.841 1.00 0.00 C ATOM 459 C ASP A 30 -6.709 3.720 -2.356 1.00 0.00 C ATOM 460 O ASP A 30 -7.256 3.098 -3.266 1.00 0.00 O ATOM 461 CB ASP A 30 -6.318 6.156 -2.143 1.00 0.00 C ATOM 462 CG ASP A 30 -6.799 7.184 -3.168 1.00 0.00 C ATOM 463 OD1 ASP A 30 -7.238 6.742 -4.252 1.00 0.00 O ATOM 464 OD2 ASP A 30 -6.718 8.389 -2.845 1.00 0.00 O ATOM 0 H ASP A 30 -7.241 5.716 0.137 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.260 5.246 -2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.086 6.674 -1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.389 5.714 -2.503 1.00 0.00 H new ATOM 470 N PHE A 31 -5.592 3.342 -1.754 1.00 0.00 N ATOM 471 CA PHE A 31 -4.911 2.117 -2.140 1.00 0.00 C ATOM 472 C PHE A 31 -5.916 1.016 -2.485 1.00 0.00 C ATOM 473 O PHE A 31 -5.838 0.412 -3.553 1.00 0.00 O ATOM 474 CB PHE A 31 -4.077 1.671 -0.938 1.00 0.00 C ATOM 475 CG PHE A 31 -3.621 0.212 -1.004 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.493 -0.788 -0.704 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.344 -0.086 -1.363 1.00 0.00 C ATOM 478 CE1 PHE A 31 -4.071 -2.142 -0.765 1.00 0.00 C ATOM 479 CE2 PHE A 31 -1.920 -1.441 -1.424 1.00 0.00 C ATOM 480 CZ PHE A 31 -2.794 -2.440 -1.124 1.00 0.00 C ATOM 0 H PHE A 31 -5.141 3.862 -1.001 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.293 2.297 -3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.199 2.312 -0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.661 1.818 -0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.508 -0.552 -0.419 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.651 0.707 -1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.764 -2.935 -0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.905 -1.678 -1.708 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.473 -3.470 -1.171 1.00 0.00 H new ATOM 490 N ASP A 32 -6.838 0.789 -1.560 1.00 0.00 N ATOM 491 CA ASP A 32 -7.856 -0.228 -1.753 1.00 0.00 C ATOM 492 C ASP A 32 -8.818 0.222 -2.855 1.00 0.00 C ATOM 493 O ASP A 32 -9.269 -0.592 -3.660 1.00 0.00 O ATOM 494 CB ASP A 32 -8.671 -0.441 -0.474 1.00 0.00 C ATOM 495 CG ASP A 32 -9.596 -1.660 -0.493 1.00 0.00 C ATOM 496 OD1 ASP A 32 -9.209 -2.657 -1.139 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.670 -1.567 0.140 1.00 0.00 O ATOM 0 H ASP A 32 -6.900 1.293 -0.675 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.356 -1.158 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.983 -0.539 0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.272 0.450 -0.291 1.00 0.00 H new ATOM 503 N ALA A 33 -9.102 1.515 -2.857 1.00 0.00 N ATOM 504 CA ALA A 33 -10.001 2.083 -3.848 1.00 0.00 C ATOM 505 C ALA A 33 -9.534 1.675 -5.247 1.00 0.00 C ATOM 506 O ALA A 33 -10.321 1.167 -6.045 1.00 0.00 O ATOM 507 CB ALA A 33 -10.062 3.601 -3.673 1.00 0.00 C ATOM 0 H ALA A 33 -8.726 2.187 -2.188 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.012 1.699 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.736 4.026 -4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.428 3.838 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.065 4.023 -3.804 1.00 0.00 H new ATOM 513 N GLU A 34 -8.256 1.913 -5.502 1.00 0.00 N ATOM 514 CA GLU A 34 -7.675 1.577 -6.791 1.00 0.00 C ATOM 515 C GLU A 34 -7.530 0.060 -6.928 1.00 0.00 C ATOM 516 O GLU A 34 -8.195 -0.558 -7.759 1.00 0.00 O ATOM 517 CB GLU A 34 -6.327 2.275 -6.983 1.00 0.00 C ATOM 518 CG GLU A 34 -5.844 2.146 -8.429 1.00 0.00 C ATOM 519 CD GLU A 34 -6.980 2.425 -9.414 1.00 0.00 C ATOM 520 OE1 GLU A 34 -7.380 3.607 -9.500 1.00 0.00 O ATOM 521 OE2 GLU A 34 -7.425 1.451 -10.059 1.00 0.00 O ATOM 0 H GLU A 34 -7.606 2.334 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.346 1.931 -7.574 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.418 3.329 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.589 1.840 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.025 2.843 -8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.451 1.143 -8.597 1.00 0.00 H new ATOM 529 N CYS A 35 -6.658 -0.498 -6.101 1.00 0.00 N ATOM 530 CA CYS A 35 -6.418 -1.930 -6.120 1.00 0.00 C ATOM 531 C CYS A 35 -7.751 -2.637 -6.375 1.00 0.00 C ATOM 532 O CYS A 35 -7.789 -3.682 -7.024 1.00 0.00 O ATOM 533 CB CYS A 35 -5.755 -2.410 -4.827 1.00 0.00 C ATOM 534 SG CYS A 35 -5.328 -4.189 -4.798 1.00 0.00 S ATOM 0 H CYS A 35 -6.109 0.017 -5.413 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.720 -2.174 -6.921 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.847 -1.830 -4.664 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.423 -2.197 -3.992 1.00 0.00 H new ATOM 539 N LYS A 36 -8.810 -2.040 -5.850 1.00 0.00 N ATOM 540 CA LYS A 36 -10.142 -2.599 -6.012 1.00 0.00 C ATOM 541 C LYS A 36 -10.471 -2.696 -7.504 1.00 0.00 C ATOM 542 O LYS A 36 -10.550 -3.792 -8.056 1.00 0.00 O ATOM 543 CB LYS A 36 -11.164 -1.793 -5.208 1.00 0.00 C ATOM 544 CG LYS A 36 -11.332 -2.370 -3.802 1.00 0.00 C ATOM 545 CD LYS A 36 -11.967 -3.762 -3.852 1.00 0.00 C ATOM 546 CE LYS A 36 -13.206 -3.767 -4.751 1.00 0.00 C ATOM 547 NZ LYS A 36 -14.239 -4.676 -4.204 1.00 0.00 N ATOM 0 H LYS A 36 -8.773 -1.174 -5.312 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.182 -3.611 -5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.843 -0.754 -5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.124 -1.798 -5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.361 -2.427 -3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.954 -1.704 -3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.240 -4.484 -4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.242 -4.077 -2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.608 -2.757 -4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.931 -4.083 -5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.073 -4.668 -4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.858 -5.642 -4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.513 -4.357 -3.253 1.00 0.00 H new ATOM 561 N LYS A 37 -10.654 -1.534 -8.113 1.00 0.00 N ATOM 562 CA LYS A 37 -10.973 -1.474 -9.530 1.00 0.00 C ATOM 563 C LYS A 37 -9.811 -2.060 -10.335 1.00 0.00 C ATOM 564 O LYS A 37 -10.027 -2.771 -11.316 1.00 0.00 O ATOM 565 CB LYS A 37 -11.344 -0.046 -9.936 1.00 0.00 C ATOM 566 CG LYS A 37 -10.098 0.836 -10.037 1.00 0.00 C ATOM 567 CD LYS A 37 -10.422 2.168 -10.717 1.00 0.00 C ATOM 568 CE LYS A 37 -11.355 3.014 -9.848 1.00 0.00 C ATOM 569 NZ LYS A 37 -10.575 3.801 -8.866 1.00 0.00 N ATOM 0 H LYS A 37 -10.588 -0.627 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.851 -2.081 -9.749 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.863 -0.060 -10.894 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.034 0.376 -9.206 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.697 1.021 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.324 0.315 -10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.500 2.717 -10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.889 1.983 -11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.940 3.684 -10.478 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.062 2.368 -9.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.766 3.447 -7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.560 3.708 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.850 4.802 -8.926 1.00 0.00 H new ATOM 583 N LEU A 38 -8.604 -1.740 -9.891 1.00 0.00 N ATOM 584 CA LEU A 38 -7.409 -2.227 -10.558 1.00 0.00 C ATOM 585 C LEU A 38 -7.431 -3.756 -10.583 1.00 0.00 C ATOM 586 O LEU A 38 -7.345 -4.364 -11.650 1.00 0.00 O ATOM 587 CB LEU A 38 -6.155 -1.640 -9.905 1.00 0.00 C ATOM 588 CG LEU A 38 -5.031 -2.632 -9.601 1.00 0.00 C ATOM 589 CD1 LEU A 38 -4.406 -3.165 -10.891 1.00 0.00 C ATOM 590 CD2 LEU A 38 -3.986 -2.009 -8.672 1.00 0.00 C ATOM 0 H LEU A 38 -8.428 -1.150 -9.078 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.388 -1.892 -11.595 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.760 -0.862 -10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.447 -1.156 -8.973 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.461 -3.485 -9.076 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.610 -3.868 -10.646 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.169 -3.672 -11.482 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.994 -2.335 -11.465 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.198 -2.735 -8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.555 -1.128 -9.148 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.460 -1.720 -7.734 1.00 0.00 H new ATOM 602 N PHE A 39 -7.544 -4.334 -9.397 1.00 0.00 N ATOM 603 CA PHE A 39 -7.578 -5.781 -9.270 1.00 0.00 C ATOM 604 C PHE A 39 -8.917 -6.251 -8.698 1.00 0.00 C ATOM 605 O PHE A 39 -8.953 -6.966 -7.699 1.00 0.00 O ATOM 606 CB PHE A 39 -6.459 -6.172 -8.302 1.00 0.00 C ATOM 607 CG PHE A 39 -5.092 -6.340 -8.967 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.914 -5.966 -10.263 1.00 0.00 C ATOM 609 CD2 PHE A 39 -4.053 -6.865 -8.263 1.00 0.00 C ATOM 610 CE1 PHE A 39 -3.645 -6.122 -10.880 1.00 0.00 C ATOM 611 CE2 PHE A 39 -2.784 -7.023 -8.880 1.00 0.00 C ATOM 612 CZ PHE A 39 -2.607 -6.648 -10.175 1.00 0.00 C ATOM 0 H PHE A 39 -7.613 -3.827 -8.515 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.450 -6.243 -10.249 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.383 -5.412 -7.525 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.729 -7.106 -7.809 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.739 -5.550 -10.823 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.194 -7.162 -7.234 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.504 -5.823 -11.908 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.960 -7.441 -8.321 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.642 -6.768 -10.644 1.00 0.00 H new ATOM 622 N HIS A 40 -9.986 -5.828 -9.358 1.00 0.00 N ATOM 623 CA HIS A 40 -11.325 -6.197 -8.928 1.00 0.00 C ATOM 624 C HIS A 40 -11.625 -7.634 -9.357 1.00 0.00 C ATOM 625 O HIS A 40 -12.483 -8.293 -8.774 1.00 0.00 O ATOM 626 CB HIS A 40 -12.357 -5.194 -9.448 1.00 0.00 C ATOM 627 CG HIS A 40 -13.667 -5.821 -9.861 1.00 0.00 C ATOM 628 ND1 HIS A 40 -14.605 -6.270 -8.948 1.00 0.00 N ATOM 629 CD2 HIS A 40 -14.186 -6.068 -11.099 1.00 0.00 C ATOM 630 CE1 HIS A 40 -15.636 -6.764 -9.617 1.00 0.00 C ATOM 631 NE2 HIS A 40 -15.374 -6.638 -10.949 1.00 0.00 N ATOM 0 H HIS A 40 -9.952 -5.234 -10.186 1.00 0.00 H new ATOM 0 HA HIS A 40 -11.385 -6.161 -7.840 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -12.549 -4.451 -8.674 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.935 -4.663 -10.301 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -13.710 -5.838 -12.041 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -16.528 -7.192 -9.183 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -15.991 -6.934 -11.706 1.00 0.00 H new ATOM 640 N THR A 41 -10.899 -8.077 -10.374 1.00 0.00 N ATOM 641 CA THR A 41 -11.077 -9.424 -10.888 1.00 0.00 C ATOM 642 C THR A 41 -10.094 -10.385 -10.217 1.00 0.00 C ATOM 643 O THR A 41 -10.439 -11.530 -9.927 1.00 0.00 O ATOM 644 CB THR A 41 -10.933 -9.372 -12.410 1.00 0.00 C ATOM 645 OG1 THR A 41 -9.685 -8.715 -12.618 1.00 0.00 O ATOM 646 CG2 THR A 41 -11.957 -8.443 -13.064 1.00 0.00 C ATOM 0 H THR A 41 -10.187 -7.527 -10.855 1.00 0.00 H new ATOM 0 HA THR A 41 -12.070 -9.809 -10.654 1.00 0.00 H new ATOM 0 HB THR A 41 -11.042 -10.376 -12.819 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.511 -8.640 -13.580 1.00 0.00 H new ATOM 0 HG21 THR A 41 -11.811 -8.443 -14.144 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.964 -8.792 -12.834 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.827 -7.431 -12.680 1.00 0.00 H new ATOM 654 N ILE A 42 -8.888 -9.885 -9.990 1.00 0.00 N ATOM 655 CA ILE A 42 -7.853 -10.685 -9.358 1.00 0.00 C ATOM 656 C ILE A 42 -8.473 -11.521 -8.238 1.00 0.00 C ATOM 657 O ILE A 42 -9.356 -11.049 -7.522 1.00 0.00 O ATOM 658 CB ILE A 42 -6.697 -9.796 -8.895 1.00 0.00 C ATOM 659 CG1 ILE A 42 -6.007 -9.128 -10.086 1.00 0.00 C ATOM 660 CG2 ILE A 42 -5.712 -10.585 -8.029 1.00 0.00 C ATOM 661 CD1 ILE A 42 -5.576 -10.167 -11.123 1.00 0.00 C ATOM 0 H ILE A 42 -8.605 -8.936 -10.233 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.420 -11.383 -10.074 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.106 -9.000 -8.273 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.684 -8.408 -10.546 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.136 -8.571 -9.741 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.900 -9.930 -7.713 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.229 -10.972 -7.151 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.305 -11.416 -8.606 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.088 -9.666 -11.959 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.880 -10.871 -10.666 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.452 -10.706 -11.484 1.00 0.00 H new ATOM 673 N PRO A 43 -7.974 -12.781 -8.117 1.00 0.00 N ATOM 674 CA PRO A 43 -8.470 -13.687 -7.096 1.00 0.00 C ATOM 675 C PRO A 43 -7.932 -13.305 -5.715 1.00 0.00 C ATOM 676 O PRO A 43 -6.773 -13.572 -5.401 1.00 0.00 O ATOM 677 CB PRO A 43 -8.024 -15.069 -7.545 1.00 0.00 C ATOM 678 CG PRO A 43 -6.904 -14.840 -8.547 1.00 0.00 C ATOM 679 CD PRO A 43 -6.930 -13.373 -8.947 1.00 0.00 C ATOM 0 HA PRO A 43 -9.554 -13.648 -6.990 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.676 -15.661 -6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.849 -15.617 -8.000 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.940 -15.099 -8.108 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.038 -15.477 -9.422 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.966 -12.897 -8.770 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.153 -13.256 -10.007 1.00 0.00 H new ATOM 687 N PHE A 44 -8.799 -12.686 -4.928 1.00 0.00 N ATOM 688 CA PHE A 44 -8.426 -12.264 -3.588 1.00 0.00 C ATOM 689 C PHE A 44 -7.532 -11.024 -3.634 1.00 0.00 C ATOM 690 O PHE A 44 -7.112 -10.518 -2.594 1.00 0.00 O ATOM 691 CB PHE A 44 -7.645 -13.419 -2.957 1.00 0.00 C ATOM 692 CG PHE A 44 -8.152 -14.806 -3.358 1.00 0.00 C ATOM 693 CD1 PHE A 44 -9.471 -15.111 -3.225 1.00 0.00 C ATOM 694 CD2 PHE A 44 -7.285 -15.731 -3.847 1.00 0.00 C ATOM 695 CE1 PHE A 44 -9.941 -16.399 -3.597 1.00 0.00 C ATOM 696 CE2 PHE A 44 -7.756 -17.018 -4.218 1.00 0.00 C ATOM 697 CZ PHE A 44 -9.075 -17.325 -4.086 1.00 0.00 C ATOM 0 H PHE A 44 -9.759 -12.466 -5.192 1.00 0.00 H new ATOM 0 HA PHE A 44 -9.318 -12.015 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.596 -13.331 -3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.692 -13.326 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.160 -14.375 -2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.238 -15.487 -3.953 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -10.988 -16.642 -3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.067 -17.754 -4.605 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.433 -18.304 -4.370 1.00 0.00 H new ATOM 707 N GLY A 45 -7.266 -10.569 -4.850 1.00 0.00 N ATOM 708 CA GLY A 45 -6.430 -9.397 -5.044 1.00 0.00 C ATOM 709 C GLY A 45 -6.944 -8.213 -4.223 1.00 0.00 C ATOM 710 O GLY A 45 -6.160 -7.387 -3.759 1.00 0.00 O ATOM 0 H GLY A 45 -7.615 -10.991 -5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.404 -9.626 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.412 -9.130 -6.101 1.00 0.00 H new ATOM 714 N THR A 46 -8.259 -8.168 -4.069 1.00 0.00 N ATOM 715 CA THR A 46 -8.888 -7.099 -3.313 1.00 0.00 C ATOM 716 C THR A 46 -8.791 -7.380 -1.812 1.00 0.00 C ATOM 717 O THR A 46 -8.610 -6.459 -1.015 1.00 0.00 O ATOM 718 CB THR A 46 -10.327 -6.950 -3.811 1.00 0.00 C ATOM 719 OG1 THR A 46 -10.877 -8.259 -3.680 1.00 0.00 O ATOM 720 CG2 THR A 46 -10.401 -6.664 -5.312 1.00 0.00 C ATOM 0 H THR A 46 -8.906 -8.855 -4.455 1.00 0.00 H new ATOM 0 HA THR A 46 -8.375 -6.150 -3.469 1.00 0.00 H new ATOM 0 HB THR A 46 -10.819 -6.146 -3.264 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.810 -8.253 -3.980 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.444 -6.567 -5.613 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.872 -5.737 -5.532 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.939 -7.484 -5.862 1.00 0.00 H new ATOM 728 N ARG A 47 -8.915 -8.654 -1.471 1.00 0.00 N ATOM 729 CA ARG A 47 -8.843 -9.067 -0.080 1.00 0.00 C ATOM 730 C ARG A 47 -7.472 -8.723 0.506 1.00 0.00 C ATOM 731 O ARG A 47 -7.381 -8.014 1.507 1.00 0.00 O ATOM 732 CB ARG A 47 -9.089 -10.571 0.062 1.00 0.00 C ATOM 733 CG ARG A 47 -10.544 -10.921 -0.253 1.00 0.00 C ATOM 734 CD ARG A 47 -11.491 -10.316 0.786 1.00 0.00 C ATOM 735 NE ARG A 47 -12.580 -9.576 0.109 1.00 0.00 N ATOM 736 CZ ARG A 47 -13.547 -8.909 0.752 1.00 0.00 C ATOM 737 NH1 ARG A 47 -13.567 -8.884 2.092 1.00 0.00 N ATOM 738 NH2 ARG A 47 -14.494 -8.266 0.056 1.00 0.00 N ATOM 0 H ARG A 47 -9.065 -9.414 -2.134 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.620 -8.531 0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.426 -11.116 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.846 -10.889 1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.804 -10.552 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.665 -12.004 -0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.910 -11.105 1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.940 -9.646 1.446 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.595 -9.574 -0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.846 -9.373 2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.304 -8.376 2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.479 -8.284 -0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.231 -7.758 0.546 1.00 0.00 H new ATOM 752 N GLU A 48 -6.440 -9.242 -0.143 1.00 0.00 N ATOM 753 CA GLU A 48 -5.078 -8.999 0.301 1.00 0.00 C ATOM 754 C GLU A 48 -4.825 -7.496 0.439 1.00 0.00 C ATOM 755 O GLU A 48 -4.259 -7.047 1.433 1.00 0.00 O ATOM 756 CB GLU A 48 -4.068 -9.641 -0.652 1.00 0.00 C ATOM 757 CG GLU A 48 -2.920 -10.292 0.123 1.00 0.00 C ATOM 758 CD GLU A 48 -2.362 -9.337 1.181 1.00 0.00 C ATOM 759 OE1 GLU A 48 -3.036 -9.188 2.222 1.00 0.00 O ATOM 760 OE2 GLU A 48 -1.275 -8.778 0.923 1.00 0.00 O ATOM 0 H GLU A 48 -6.520 -9.830 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.947 -9.460 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.568 -10.390 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.671 -8.885 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.272 -11.206 0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.127 -10.579 -0.567 1.00 0.00 H new ATOM 768 N CYS A 49 -5.255 -6.760 -0.576 1.00 0.00 N ATOM 769 CA CYS A 49 -5.082 -5.318 -0.582 1.00 0.00 C ATOM 770 C CYS A 49 -5.796 -4.744 0.644 1.00 0.00 C ATOM 771 O CYS A 49 -5.232 -3.924 1.367 1.00 0.00 O ATOM 772 CB CYS A 49 -5.590 -4.692 -1.883 1.00 0.00 C ATOM 773 SG CYS A 49 -4.280 -4.235 -3.076 1.00 0.00 S ATOM 0 H CYS A 49 -5.723 -7.136 -1.400 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.020 -5.076 -0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.272 -5.392 -2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.168 -3.800 -1.640 1.00 0.00 H new ATOM 778 N ASP A 50 -7.025 -5.199 0.840 1.00 0.00 N ATOM 779 CA ASP A 50 -7.822 -4.740 1.966 1.00 0.00 C ATOM 780 C ASP A 50 -7.141 -5.161 3.270 1.00 0.00 C ATOM 781 O ASP A 50 -7.482 -4.659 4.340 1.00 0.00 O ATOM 782 CB ASP A 50 -9.220 -5.361 1.940 1.00 0.00 C ATOM 783 CG ASP A 50 -10.372 -4.365 2.087 1.00 0.00 C ATOM 784 OD1 ASP A 50 -10.390 -3.666 3.124 1.00 0.00 O ATOM 785 OD2 ASP A 50 -11.209 -4.325 1.160 1.00 0.00 O ATOM 0 H ASP A 50 -7.488 -5.880 0.239 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.908 -3.655 1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.344 -5.901 1.001 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.290 -6.096 2.742 1.00 0.00 H new ATOM 791 N HIS A 51 -6.194 -6.077 3.138 1.00 0.00 N ATOM 792 CA HIS A 51 -5.464 -6.570 4.293 1.00 0.00 C ATOM 793 C HIS A 51 -4.071 -5.940 4.327 1.00 0.00 C ATOM 794 O HIS A 51 -3.266 -6.249 5.205 1.00 0.00 O ATOM 795 CB HIS A 51 -5.423 -8.100 4.297 1.00 0.00 C ATOM 796 CG HIS A 51 -6.463 -8.740 5.184 1.00 0.00 C ATOM 797 ND1 HIS A 51 -7.822 -8.634 4.943 1.00 0.00 N ATOM 798 CD2 HIS A 51 -6.331 -9.495 6.313 1.00 0.00 C ATOM 799 CE1 HIS A 51 -8.468 -9.299 5.890 1.00 0.00 C ATOM 800 NE2 HIS A 51 -7.543 -9.831 6.738 1.00 0.00 N ATOM 0 H HIS A 51 -5.915 -6.491 2.249 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.980 -6.276 5.207 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.559 -8.459 3.277 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.434 -8.426 4.620 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.398 -9.772 6.782 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.540 -9.401 5.975 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.748 -10.394 7.563 1.00 0.00 H new ATOM 809 N TYR A 52 -3.827 -5.068 3.360 1.00 0.00 N ATOM 810 CA TYR A 52 -2.545 -4.390 3.268 1.00 0.00 C ATOM 811 C TYR A 52 -2.622 -2.987 3.871 1.00 0.00 C ATOM 812 O TYR A 52 -1.698 -2.549 4.556 1.00 0.00 O ATOM 813 CB TYR A 52 -2.235 -4.274 1.775 1.00 0.00 C ATOM 814 CG TYR A 52 -0.766 -3.978 1.465 1.00 0.00 C ATOM 815 CD1 TYR A 52 0.199 -4.928 1.726 1.00 0.00 C ATOM 816 CD2 TYR A 52 -0.408 -2.759 0.925 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.581 -4.648 1.435 1.00 0.00 C ATOM 818 CE2 TYR A 52 0.974 -2.480 0.633 1.00 0.00 C ATOM 819 CZ TYR A 52 1.900 -3.438 0.903 1.00 0.00 C ATOM 820 OH TYR A 52 3.206 -3.174 0.627 1.00 0.00 O ATOM 0 H TYR A 52 -4.496 -4.815 2.633 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.779 -4.943 3.812 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.519 -5.204 1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.852 -3.484 1.347 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.082 -5.881 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.164 -2.015 0.722 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.347 -5.383 1.635 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.268 -1.531 0.209 1.00 0.00 H new ATOM 0 HH TYR A 52 3.696 -4.017 0.528 1.00 0.00 H new ATOM 830 N VAL A 53 -3.732 -2.318 3.595 1.00 0.00 N ATOM 831 CA VAL A 53 -3.941 -0.973 4.101 1.00 0.00 C ATOM 832 C VAL A 53 -4.088 -1.022 5.624 1.00 0.00 C ATOM 833 O VAL A 53 -4.154 0.017 6.279 1.00 0.00 O ATOM 834 CB VAL A 53 -5.145 -0.333 3.406 1.00 0.00 C ATOM 835 CG1 VAL A 53 -5.178 -0.699 1.921 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.451 -0.728 4.098 1.00 0.00 C ATOM 0 H VAL A 53 -4.496 -2.683 3.027 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.080 -0.344 3.877 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.040 0.749 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.043 -0.232 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.267 -0.345 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.248 -1.782 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.291 -0.260 3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.565 -1.812 4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.428 -0.394 5.135 1.00 0.00 H new ATOM 846 N ASN A 54 -4.135 -2.241 6.143 1.00 0.00 N ATOM 847 CA ASN A 54 -4.271 -2.440 7.575 1.00 0.00 C ATOM 848 C ASN A 54 -3.369 -3.595 8.014 1.00 0.00 C ATOM 849 O ASN A 54 -3.820 -4.515 8.695 1.00 0.00 O ATOM 850 CB ASN A 54 -5.712 -2.797 7.946 1.00 0.00 C ATOM 851 CG ASN A 54 -6.564 -1.538 8.115 1.00 0.00 C ATOM 852 OD1 ASN A 54 -6.302 -0.498 7.534 1.00 0.00 O ATOM 853 ND2 ASN A 54 -7.595 -1.690 8.942 1.00 0.00 N ATOM 0 H ASN A 54 -4.081 -3.100 5.596 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.989 -1.512 8.073 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.144 -3.431 7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.721 -3.373 8.871 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.224 -0.907 9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.757 -2.589 9.396 1.00 0.00 H new ATOM 860 N SER A 55 -2.111 -3.508 7.607 1.00 0.00 N ATOM 861 CA SER A 55 -1.141 -4.535 7.950 1.00 0.00 C ATOM 862 C SER A 55 0.271 -4.056 7.607 1.00 0.00 C ATOM 863 O SER A 55 1.183 -4.167 8.425 1.00 0.00 O ATOM 864 CB SER A 55 -1.448 -5.846 7.223 1.00 0.00 C ATOM 865 OG SER A 55 -2.744 -6.343 7.544 1.00 0.00 O ATOM 0 H SER A 55 -1.741 -2.743 7.043 1.00 0.00 H new ATOM 0 HA SER A 55 -1.204 -4.722 9.022 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.376 -5.689 6.147 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.698 -6.591 7.487 1.00 0.00 H new ATOM 0 HG SER A 55 -3.068 -5.908 8.360 1.00 0.00 H new ATOM 871 N LYS A 56 0.407 -3.535 6.397 1.00 0.00 N ATOM 872 CA LYS A 56 1.692 -3.038 5.936 1.00 0.00 C ATOM 873 C LYS A 56 1.560 -1.561 5.560 1.00 0.00 C ATOM 874 O LYS A 56 2.374 -1.033 4.804 1.00 0.00 O ATOM 875 CB LYS A 56 2.231 -3.914 4.804 1.00 0.00 C ATOM 876 CG LYS A 56 2.707 -5.267 5.337 1.00 0.00 C ATOM 877 CD LYS A 56 1.576 -6.297 5.309 1.00 0.00 C ATOM 878 CE LYS A 56 2.109 -7.689 4.965 1.00 0.00 C ATOM 879 NZ LYS A 56 0.998 -8.592 4.592 1.00 0.00 N ATOM 0 H LYS A 56 -0.352 -3.446 5.721 1.00 0.00 H new ATOM 0 HA LYS A 56 2.431 -3.099 6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.453 -4.067 4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.056 -3.404 4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.544 -5.624 4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.073 -5.151 6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.080 -6.323 6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.827 -5.999 4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.821 -7.619 4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.648 -8.100 5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.377 -9.532 4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.334 -8.672 5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.501 -8.207 3.764 1.00 0.00 H new ATOM 893 N VAL A 57 0.527 -0.935 6.106 1.00 0.00 N ATOM 894 CA VAL A 57 0.277 0.471 5.838 1.00 0.00 C ATOM 895 C VAL A 57 0.839 1.313 6.985 1.00 0.00 C ATOM 896 O VAL A 57 1.533 2.302 6.753 1.00 0.00 O ATOM 897 CB VAL A 57 -1.218 0.702 5.604 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.799 1.641 6.662 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.476 1.236 4.194 1.00 0.00 C ATOM 0 H VAL A 57 -0.146 -1.376 6.733 1.00 0.00 H new ATOM 0 HA VAL A 57 0.787 0.782 4.926 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.724 -0.259 5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.862 1.789 6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.664 1.203 7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.286 2.602 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.546 1.391 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.951 2.182 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.115 0.515 3.460 1.00 0.00 H new ATOM 909 N ASP A 58 0.520 0.889 8.199 1.00 0.00 N ATOM 910 CA ASP A 58 0.985 1.592 9.383 1.00 0.00 C ATOM 911 C ASP A 58 2.504 1.758 9.310 1.00 0.00 C ATOM 912 O ASP A 58 3.031 2.826 9.615 1.00 0.00 O ATOM 913 CB ASP A 58 0.656 0.806 10.654 1.00 0.00 C ATOM 914 CG ASP A 58 -0.059 1.609 11.744 1.00 0.00 C ATOM 915 OD1 ASP A 58 -1.308 1.631 11.704 1.00 0.00 O ATOM 916 OD2 ASP A 58 0.660 2.180 12.591 1.00 0.00 O ATOM 0 H ASP A 58 -0.055 0.068 8.388 1.00 0.00 H new ATOM 0 HA ASP A 58 0.486 2.560 9.418 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.033 -0.047 10.385 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.583 0.407 11.066 1.00 0.00 H new ATOM 922 N PRO A 59 3.182 0.656 8.891 1.00 0.00 N ATOM 923 CA PRO A 59 4.630 0.669 8.773 1.00 0.00 C ATOM 924 C PRO A 59 5.073 1.453 7.536 1.00 0.00 C ATOM 925 O PRO A 59 5.869 2.385 7.640 1.00 0.00 O ATOM 926 CB PRO A 59 5.034 -0.795 8.724 1.00 0.00 C ATOM 927 CG PRO A 59 3.776 -1.563 8.348 1.00 0.00 C ATOM 928 CD PRO A 59 2.591 -0.626 8.521 1.00 0.00 C ATOM 0 HA PRO A 59 5.115 1.175 9.608 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.824 -0.958 7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.420 -1.126 9.688 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.837 -1.916 7.318 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.662 -2.443 8.980 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.013 -0.544 7.600 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.911 -0.986 9.293 1.00 0.00 H new ATOM 936 N ILE A 60 4.538 1.048 6.395 1.00 0.00 N ATOM 937 CA ILE A 60 4.867 1.700 5.139 1.00 0.00 C ATOM 938 C ILE A 60 4.826 3.217 5.333 1.00 0.00 C ATOM 939 O ILE A 60 5.833 3.898 5.142 1.00 0.00 O ATOM 940 CB ILE A 60 3.954 1.199 4.019 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.427 -0.157 3.491 1.00 0.00 C ATOM 942 CG2 ILE A 60 3.835 2.238 2.902 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.492 -0.677 2.398 1.00 0.00 C ATOM 0 H ILE A 60 3.878 0.275 6.313 1.00 0.00 H new ATOM 0 HA ILE A 60 5.880 1.443 4.830 1.00 0.00 H new ATOM 0 HB ILE A 60 2.956 1.054 4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.438 -0.064 3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.470 -0.875 4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.180 1.856 2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.418 3.160 3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.822 2.438 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.851 -1.642 2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.487 -0.792 2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.471 0.032 1.570 1.00 0.00 H new ATOM 955 N ILE A 61 3.653 3.703 5.709 1.00 0.00 N ATOM 956 CA ILE A 61 3.468 5.128 5.930 1.00 0.00 C ATOM 957 C ILE A 61 4.462 5.607 6.989 1.00 0.00 C ATOM 958 O ILE A 61 4.779 6.794 7.057 1.00 0.00 O ATOM 959 CB ILE A 61 2.009 5.430 6.275 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.060 4.779 5.267 1.00 0.00 C ATOM 961 CG2 ILE A 61 1.775 6.938 6.389 1.00 0.00 C ATOM 962 CD1 ILE A 61 -0.190 5.634 5.058 1.00 0.00 C ATOM 0 H ILE A 61 2.820 3.136 5.867 1.00 0.00 H new ATOM 0 HA ILE A 61 3.678 5.687 5.018 1.00 0.00 H new ATOM 0 HB ILE A 61 1.791 4.994 7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.574 4.641 4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.772 3.789 5.620 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.730 7.126 6.635 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.412 7.347 7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.016 7.416 5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.847 5.148 4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.715 5.750 6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.099 6.615 4.681 1.00 0.00 H new ATOM 974 N HIS A 62 4.928 4.661 7.790 1.00 0.00 N ATOM 975 CA HIS A 62 5.881 4.972 8.843 1.00 0.00 C ATOM 976 C HIS A 62 7.201 5.429 8.221 1.00 0.00 C ATOM 977 O HIS A 62 7.937 6.212 8.821 1.00 0.00 O ATOM 978 CB HIS A 62 6.051 3.783 9.791 1.00 0.00 C ATOM 979 CG HIS A 62 7.381 3.080 9.660 1.00 0.00 C ATOM 980 ND1 HIS A 62 8.117 2.760 8.557 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 8.098 2.623 10.753 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 9.222 2.142 8.954 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 9.212 2.056 10.315 1.00 0.00 N flip ATOM 0 H HIS A 62 4.664 3.678 7.732 1.00 0.00 H new ATOM 0 HA HIS A 62 5.502 5.794 9.450 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.934 4.130 10.818 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.252 3.065 9.605 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.800 2.714 11.787 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.001 1.769 8.306 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.935 1.630 10.894 1.00 0.00 H new ATOM 992 N GLU A 63 7.463 4.919 7.026 1.00 0.00 N ATOM 993 CA GLU A 63 8.683 5.265 6.316 1.00 0.00 C ATOM 994 C GLU A 63 8.559 6.658 5.694 1.00 0.00 C ATOM 995 O GLU A 63 9.393 7.527 5.938 1.00 0.00 O ATOM 996 CB GLU A 63 9.014 4.218 5.252 1.00 0.00 C ATOM 997 CG GLU A 63 10.104 3.263 5.744 1.00 0.00 C ATOM 998 CD GLU A 63 11.456 3.974 5.837 1.00 0.00 C ATOM 999 OE1 GLU A 63 11.478 5.073 6.431 1.00 0.00 O ATOM 1000 OE2 GLU A 63 12.435 3.403 5.311 1.00 0.00 O ATOM 0 H GLU A 63 6.851 4.269 6.532 1.00 0.00 H new ATOM 0 HA GLU A 63 9.505 5.280 7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.116 3.653 5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.344 4.714 4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.830 2.866 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.182 2.414 5.065 1.00 0.00 H new ATOM 1008 N LEU A 64 7.510 6.826 4.902 1.00 0.00 N ATOM 1009 CA LEU A 64 7.265 8.098 4.243 1.00 0.00 C ATOM 1010 C LEU A 64 7.157 9.201 5.298 1.00 0.00 C ATOM 1011 O LEU A 64 7.549 10.340 5.052 1.00 0.00 O ATOM 1012 CB LEU A 64 6.044 8.000 3.327 1.00 0.00 C ATOM 1013 CG LEU A 64 6.093 6.909 2.256 1.00 0.00 C ATOM 1014 CD1 LEU A 64 4.687 6.547 1.776 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.006 7.318 1.099 1.00 0.00 C ATOM 0 H LEU A 64 6.820 6.102 4.702 1.00 0.00 H new ATOM 0 HA LEU A 64 8.101 8.359 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.163 7.834 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.908 8.961 2.832 1.00 0.00 H new ATOM 0 HG LEU A 64 6.521 6.011 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.751 5.769 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.098 6.183 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.208 7.430 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.023 6.525 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.631 8.236 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.016 7.485 1.474 1.00 0.00 H new ATOM 1027 N GLU A 65 6.622 8.824 6.450 1.00 0.00 N ATOM 1028 CA GLU A 65 6.458 9.767 7.543 1.00 0.00 C ATOM 1029 C GLU A 65 7.809 10.062 8.197 1.00 0.00 C ATOM 1030 O GLU A 65 8.002 11.131 8.776 1.00 0.00 O ATOM 1031 CB GLU A 65 5.454 9.244 8.572 1.00 0.00 C ATOM 1032 CG GLU A 65 4.031 9.683 8.221 1.00 0.00 C ATOM 1033 CD GLU A 65 3.071 9.411 9.382 1.00 0.00 C ATOM 1034 OE1 GLU A 65 2.682 8.234 9.533 1.00 0.00 O ATOM 1035 OE2 GLU A 65 2.748 10.388 10.092 1.00 0.00 O ATOM 0 H GLU A 65 6.297 7.878 6.650 1.00 0.00 H new ATOM 0 HA GLU A 65 6.062 10.698 7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.503 8.156 8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.718 9.613 9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.024 10.746 7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.692 9.152 7.332 1.00 0.00 H new ATOM 1043 N GLY A 66 8.710 9.097 8.083 1.00 0.00 N ATOM 1044 CA GLY A 66 10.037 9.241 8.656 1.00 0.00 C ATOM 1045 C GLY A 66 10.934 10.095 7.757 1.00 0.00 C ATOM 1046 O GLY A 66 11.601 11.012 8.231 1.00 0.00 O ATOM 0 H GLY A 66 8.547 8.212 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.963 9.699 9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.486 8.257 8.794 1.00 0.00 H new ATOM 1050 N GLY A 67 10.920 9.761 6.475 1.00 0.00 N ATOM 1051 CA GLY A 67 11.723 10.486 5.504 1.00 0.00 C ATOM 1052 C GLY A 67 11.986 9.631 4.263 1.00 0.00 C ATOM 1053 O GLY A 67 12.268 10.160 3.189 1.00 0.00 O ATOM 0 H GLY A 67 10.366 8.998 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.211 11.404 5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.671 10.778 5.956 1.00 0.00 H new ATOM 1057 N THR A 68 11.885 8.323 4.452 1.00 0.00 N ATOM 1058 CA THR A 68 12.109 7.390 3.361 1.00 0.00 C ATOM 1059 C THR A 68 11.268 7.781 2.144 1.00 0.00 C ATOM 1060 O THR A 68 10.248 8.454 2.281 1.00 0.00 O ATOM 1061 CB THR A 68 11.814 5.980 3.877 1.00 0.00 C ATOM 1062 OG1 THR A 68 12.961 5.648 4.653 1.00 0.00 O ATOM 1063 CG2 THR A 68 11.807 4.937 2.757 1.00 0.00 C ATOM 0 H THR A 68 11.651 7.888 5.344 1.00 0.00 H new ATOM 0 HA THR A 68 13.145 7.417 3.023 1.00 0.00 H new ATOM 0 HB THR A 68 10.850 5.973 4.386 1.00 0.00 H new ATOM 0 HG1 THR A 68 13.129 4.684 4.592 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.593 3.954 3.177 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.041 5.194 2.025 1.00 0.00 H new ATOM 0 HG23 THR A 68 12.782 4.919 2.270 1.00 0.00 H new ATOM 1071 N ALA A 69 11.728 7.342 0.981 1.00 0.00 N ATOM 1072 CA ALA A 69 11.030 7.636 -0.259 1.00 0.00 C ATOM 1073 C ALA A 69 9.945 6.583 -0.491 1.00 0.00 C ATOM 1074 O ALA A 69 9.968 5.517 0.122 1.00 0.00 O ATOM 1075 CB ALA A 69 12.038 7.699 -1.409 1.00 0.00 C ATOM 0 H ALA A 69 12.575 6.785 0.872 1.00 0.00 H new ATOM 0 HA ALA A 69 10.539 8.607 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.515 7.920 -2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.769 8.482 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.549 6.740 -1.498 1.00 0.00 H new ATOM 1081 N PRO A 70 8.995 6.928 -1.401 1.00 0.00 N ATOM 1082 CA PRO A 70 7.903 6.026 -1.722 1.00 0.00 C ATOM 1083 C PRO A 70 8.385 4.876 -2.610 1.00 0.00 C ATOM 1084 O PRO A 70 7.834 4.644 -3.685 1.00 0.00 O ATOM 1085 CB PRO A 70 6.856 6.898 -2.396 1.00 0.00 C ATOM 1086 CG PRO A 70 7.586 8.154 -2.845 1.00 0.00 C ATOM 1087 CD PRO A 70 8.935 8.183 -2.146 1.00 0.00 C ATOM 0 HA PRO A 70 7.487 5.539 -0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.406 6.383 -3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.048 7.141 -1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.717 8.154 -3.927 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.007 9.043 -2.594 1.00 0.00 H new ATOM 0 HD2 PRO A 70 9.751 8.256 -2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.018 9.043 -1.481 1.00 0.00 H new ATOM 1095 N LYS A 71 9.408 4.187 -2.127 1.00 0.00 N ATOM 1096 CA LYS A 71 9.971 3.067 -2.863 1.00 0.00 C ATOM 1097 C LYS A 71 10.872 2.253 -1.934 1.00 0.00 C ATOM 1098 O LYS A 71 10.832 1.023 -1.946 1.00 0.00 O ATOM 1099 CB LYS A 71 10.676 3.560 -4.129 1.00 0.00 C ATOM 1100 CG LYS A 71 11.971 4.296 -3.783 1.00 0.00 C ATOM 1101 CD LYS A 71 12.723 4.709 -5.051 1.00 0.00 C ATOM 1102 CE LYS A 71 12.246 6.073 -5.552 1.00 0.00 C ATOM 1103 NZ LYS A 71 13.239 6.661 -6.478 1.00 0.00 N ATOM 0 H LYS A 71 9.862 4.382 -1.235 1.00 0.00 H new ATOM 0 HA LYS A 71 9.181 2.399 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.897 2.714 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.013 4.224 -4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.743 5.180 -3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.606 3.654 -3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.793 4.746 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.572 3.959 -5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.287 5.966 -6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.087 6.742 -4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.900 7.587 -6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.146 6.781 -5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.370 6.029 -7.293 1.00 0.00 H new ATOM 1117 N ASP A 72 11.662 2.970 -1.149 1.00 0.00 N ATOM 1118 CA ASP A 72 12.571 2.329 -0.214 1.00 0.00 C ATOM 1119 C ASP A 72 11.842 2.071 1.105 1.00 0.00 C ATOM 1120 O ASP A 72 12.472 1.781 2.120 1.00 0.00 O ATOM 1121 CB ASP A 72 13.778 3.222 0.080 1.00 0.00 C ATOM 1122 CG ASP A 72 14.950 2.519 0.768 1.00 0.00 C ATOM 1123 OD1 ASP A 72 15.285 1.401 0.319 1.00 0.00 O ATOM 1124 OD2 ASP A 72 15.486 3.115 1.728 1.00 0.00 O ATOM 0 H ASP A 72 11.692 3.990 -1.141 1.00 0.00 H new ATOM 0 HA ASP A 72 12.913 1.396 -0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.131 3.651 -0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.453 4.052 0.707 1.00 0.00 H new ATOM 1130 N VAL A 73 10.523 2.185 1.047 1.00 0.00 N ATOM 1131 CA VAL A 73 9.700 1.967 2.225 1.00 0.00 C ATOM 1132 C VAL A 73 9.571 0.465 2.480 1.00 0.00 C ATOM 1133 O VAL A 73 10.280 -0.090 3.318 1.00 0.00 O ATOM 1134 CB VAL A 73 8.349 2.665 2.055 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.330 2.138 3.069 1.00 0.00 C ATOM 1136 CG2 VAL A 73 8.497 4.183 2.166 1.00 0.00 C ATOM 0 H VAL A 73 10.004 2.426 0.203 1.00 0.00 H new ATOM 0 HA VAL A 73 10.168 2.406 3.106 1.00 0.00 H new ATOM 0 HB VAL A 73 7.978 2.438 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.378 2.650 2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.191 1.067 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.694 2.322 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.522 4.654 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.901 4.439 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.174 4.540 1.390 1.00 0.00 H new ATOM 1146 N CYS A 74 8.660 -0.152 1.742 1.00 0.00 N ATOM 1147 CA CYS A 74 8.428 -1.580 1.878 1.00 0.00 C ATOM 1148 C CYS A 74 9.775 -2.265 2.113 1.00 0.00 C ATOM 1149 O CYS A 74 9.923 -3.047 3.050 1.00 0.00 O ATOM 1150 CB CYS A 74 7.700 -2.153 0.661 1.00 0.00 C ATOM 1151 SG CYS A 74 8.002 -1.257 -0.906 1.00 0.00 S ATOM 0 H CYS A 74 8.074 0.311 1.048 1.00 0.00 H new ATOM 0 HA CYS A 74 7.774 -1.766 2.730 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.000 -3.193 0.532 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.629 -2.153 0.863 1.00 0.00 H new ATOM 1156 N THR A 75 10.725 -1.946 1.245 1.00 0.00 N ATOM 1157 CA THR A 75 12.055 -2.522 1.346 1.00 0.00 C ATOM 1158 C THR A 75 12.558 -2.453 2.790 1.00 0.00 C ATOM 1159 O THR A 75 13.003 -3.456 3.344 1.00 0.00 O ATOM 1160 CB THR A 75 12.961 -1.794 0.351 1.00 0.00 C ATOM 1161 OG1 THR A 75 12.375 -2.070 -0.918 1.00 0.00 O ATOM 1162 CG2 THR A 75 14.355 -2.419 0.263 1.00 0.00 C ATOM 0 H THR A 75 10.599 -1.296 0.469 1.00 0.00 H new ATOM 0 HA THR A 75 12.049 -3.581 1.088 1.00 0.00 H new ATOM 0 HB THR A 75 13.051 -0.747 0.640 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.899 -1.634 -1.622 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.957 -1.865 -0.457 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.833 -2.381 1.242 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.269 -3.457 -0.059 1.00 0.00 H new ATOM 1170 N LYS A 76 12.470 -1.258 3.356 1.00 0.00 N ATOM 1171 CA LYS A 76 12.910 -1.044 4.724 1.00 0.00 C ATOM 1172 C LYS A 76 12.219 -2.055 5.641 1.00 0.00 C ATOM 1173 O LYS A 76 12.852 -2.631 6.525 1.00 0.00 O ATOM 1174 CB LYS A 76 12.689 0.412 5.137 1.00 0.00 C ATOM 1175 CG LYS A 76 13.876 1.286 4.722 1.00 0.00 C ATOM 1176 CD LYS A 76 14.507 1.965 5.939 1.00 0.00 C ATOM 1177 CE LYS A 76 15.776 1.232 6.379 1.00 0.00 C ATOM 1178 NZ LYS A 76 15.751 0.985 7.838 1.00 0.00 N ATOM 0 H LYS A 76 12.101 -0.428 2.892 1.00 0.00 H new ATOM 0 HA LYS A 76 13.983 -1.216 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.776 0.790 4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.549 0.470 6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.622 0.675 4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.545 2.042 4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.746 3.001 5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.791 1.985 6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.860 0.285 5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.654 1.824 6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.619 0.487 8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.693 1.892 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.924 0.402 8.077 1.00 0.00 H new ATOM 1192 N LEU A 77 10.928 -2.239 5.401 1.00 0.00 N ATOM 1193 CA LEU A 77 10.145 -3.171 6.195 1.00 0.00 C ATOM 1194 C LEU A 77 10.162 -4.546 5.524 1.00 0.00 C ATOM 1195 O LEU A 77 9.186 -5.290 5.602 1.00 0.00 O ATOM 1196 CB LEU A 77 8.738 -2.619 6.432 1.00 0.00 C ATOM 1197 CG LEU A 77 8.612 -1.095 6.471 1.00 0.00 C ATOM 1198 CD1 LEU A 77 7.201 -0.651 6.081 1.00 0.00 C ATOM 1199 CD2 LEU A 77 9.030 -0.545 7.837 1.00 0.00 C ATOM 0 H LEU A 77 10.405 -1.759 4.668 1.00 0.00 H new ATOM 0 HA LEU A 77 10.586 -3.294 7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.084 -2.998 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.367 -3.018 7.376 1.00 0.00 H new ATOM 0 HG LEU A 77 9.296 -0.677 5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.139 0.437 6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.978 -0.994 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.480 -1.079 6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.931 0.541 7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.390 -0.968 8.611 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.067 -0.815 8.036 1.00 0.00 H new ATOM 1211 N ASN A 78 11.281 -4.840 4.879 1.00 0.00 N ATOM 1212 CA ASN A 78 11.437 -6.112 4.194 1.00 0.00 C ATOM 1213 C ASN A 78 10.125 -6.475 3.496 1.00 0.00 C ATOM 1214 O ASN A 78 9.815 -7.653 3.324 1.00 0.00 O ATOM 1215 CB ASN A 78 11.773 -7.232 5.182 1.00 0.00 C ATOM 1216 CG ASN A 78 13.230 -7.673 5.036 1.00 0.00 C ATOM 1217 OD1 ASN A 78 13.619 -8.311 4.073 1.00 0.00 O ATOM 1218 ND2 ASN A 78 14.013 -7.297 6.044 1.00 0.00 N ATOM 0 H ASN A 78 12.088 -4.220 4.816 1.00 0.00 H new ATOM 0 HA ASN A 78 12.249 -6.010 3.474 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.594 -6.889 6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.113 -8.083 5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.003 -7.542 6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.623 -6.764 6.821 1.00 0.00 H new ATOM 1225 N GLU A 79 9.390 -5.442 3.112 1.00 0.00 N ATOM 1226 CA GLU A 79 8.118 -5.638 2.437 1.00 0.00 C ATOM 1227 C GLU A 79 8.328 -5.709 0.923 1.00 0.00 C ATOM 1228 O GLU A 79 7.542 -6.334 0.212 1.00 0.00 O ATOM 1229 CB GLU A 79 7.128 -4.531 2.802 1.00 0.00 C ATOM 1230 CG GLU A 79 5.883 -5.110 3.477 1.00 0.00 C ATOM 1231 CD GLU A 79 4.817 -5.476 2.442 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.782 -4.790 1.398 1.00 0.00 O ATOM 1233 OE2 GLU A 79 4.062 -6.434 2.718 1.00 0.00 O ATOM 0 H GLU A 79 9.651 -4.466 3.255 1.00 0.00 H new ATOM 0 HA GLU A 79 7.693 -6.584 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.608 -3.815 3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.839 -3.986 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.155 -5.995 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.477 -4.385 4.182 1.00 0.00 H new ATOM 1241 N CYS A 80 9.391 -5.058 0.473 1.00 0.00 N ATOM 1242 CA CYS A 80 9.713 -5.040 -0.944 1.00 0.00 C ATOM 1243 C CYS A 80 11.042 -5.772 -1.144 1.00 0.00 C ATOM 1244 O CYS A 80 11.996 -5.545 -0.404 1.00 0.00 O ATOM 1245 CB CYS A 80 9.758 -3.613 -1.495 1.00 0.00 C ATOM 1246 SG CYS A 80 8.229 -3.069 -2.339 1.00 0.00 S ATOM 0 H CYS A 80 10.040 -4.539 1.065 1.00 0.00 H new ATOM 0 HA CYS A 80 8.930 -5.551 -1.505 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.966 -2.928 -0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.590 -3.535 -2.195 1.00 0.00 H new ATOM 1251 N PRO A 81 11.060 -6.658 -2.176 1.00 0.00 N ATOM 1252 CA PRO A 81 9.884 -6.867 -3.003 1.00 0.00 C ATOM 1253 C PRO A 81 8.833 -7.697 -2.264 1.00 0.00 C ATOM 1254 O PRO A 81 8.948 -8.919 -2.180 1.00 0.00 O ATOM 1255 CB PRO A 81 10.404 -7.548 -4.260 1.00 0.00 C ATOM 1256 CG PRO A 81 11.767 -8.114 -3.893 1.00 0.00 C ATOM 1257 CD PRO A 81 12.196 -7.482 -2.579 1.00 0.00 C ATOM 0 HA PRO A 81 9.374 -5.936 -3.252 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.727 -8.338 -4.585 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.484 -6.839 -5.084 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.716 -9.199 -3.796 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.494 -7.897 -4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.421 -8.241 -1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.097 -6.881 -2.704 1.00 0.00 H new TER 1265 PRO A 81