USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 655 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 15 GLN : amide:sc= 0.348 K(o=-3.2,f=-8.5!) USER MOD Set 1.2: A 54 SER OG : rot -69:sc= -3.5! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 9 LYS NZ :NH3+ -149:sc= -0.282 (180deg=-1.11) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -68:sc= -1.37 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot -58:sc= -4.91! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -1.77 K(o=-1.8,f=-2.8!) USER MOD Single : A 45 GLN : amide:sc=-0.00952 X(o=-0.0095,f=0) USER MOD Single : A 48 GLN : amide:sc= -5.94! C(o=-5.9!,f=-6.2!) USER MOD Single : A 49 MET CE :methyl 172:sc= -1.53 (180deg=-1.77) USER MOD Single : A 55 LYS NZ :NH3+ 155:sc= -0.689 (180deg=-2.06!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.144 23.488 -10.636 1.00 0.00 N ATOM 2 CA MET A 1 -4.971 24.300 -11.053 1.00 0.00 C ATOM 3 C MET A 1 -3.772 24.041 -10.147 1.00 0.00 C ATOM 4 O MET A 1 -3.885 24.085 -8.922 1.00 0.00 O ATOM 5 CB MET A 1 -5.363 25.778 -11.004 1.00 0.00 C ATOM 6 CG MET A 1 -4.519 26.663 -11.908 1.00 0.00 C ATOM 7 SD MET A 1 -4.932 26.468 -13.652 1.00 0.00 S ATOM 8 CE MET A 1 -3.320 26.679 -14.407 1.00 0.00 C ATOM 0 H1 MET A 1 -6.945 23.684 -11.270 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.902 22.478 -10.686 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.407 23.733 -9.660 1.00 0.00 H new ATOM 0 HA MET A 1 -4.681 24.021 -12.066 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.411 25.877 -11.288 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.276 26.134 -9.977 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.656 27.705 -11.620 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.465 26.427 -11.760 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.410 26.585 -15.489 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.929 27.666 -14.159 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.640 25.914 -14.032 1.00 0.00 H new ATOM 20 N ARG A 2 -2.623 23.769 -10.759 1.00 0.00 N ATOM 21 CA ARG A 2 -1.402 23.499 -10.009 1.00 0.00 C ATOM 22 C ARG A 2 -0.817 24.786 -9.435 1.00 0.00 C ATOM 23 O ARG A 2 -1.034 25.872 -9.972 1.00 0.00 O ATOM 24 CB ARG A 2 -0.370 22.814 -10.907 1.00 0.00 C ATOM 25 CG ARG A 2 0.755 22.141 -10.136 1.00 0.00 C ATOM 26 CD ARG A 2 1.759 21.487 -11.070 1.00 0.00 C ATOM 27 NE ARG A 2 2.862 20.871 -10.339 1.00 0.00 N ATOM 28 CZ ARG A 2 3.925 20.329 -10.925 1.00 0.00 C ATOM 29 NH1 ARG A 2 4.027 20.329 -12.247 1.00 0.00 N ATOM 30 NH2 ARG A 2 4.886 19.788 -10.189 1.00 0.00 N ATOM 0 H ARG A 2 -2.513 23.730 -11.772 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.654 22.836 -9.181 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -0.874 22.069 -11.523 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.057 23.553 -11.585 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.262 22.878 -9.514 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.339 21.390 -9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.255 20.731 -11.672 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.153 22.233 -11.760 1.00 0.00 H new ATOM 0 HE ARG A 2 2.814 20.856 -9.320 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.289 20.745 -12.815 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.843 19.913 -12.696 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.810 19.787 -9.172 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.701 19.372 -10.640 1.00 0.00 H new ATOM 44 N GLN A 3 -0.074 24.656 -8.340 1.00 0.00 N ATOM 45 CA GLN A 3 0.543 25.808 -7.694 1.00 0.00 C ATOM 46 C GLN A 3 1.672 25.374 -6.765 1.00 0.00 C ATOM 47 O GLN A 3 2.838 25.692 -6.998 1.00 0.00 O ATOM 48 CB GLN A 3 -0.506 26.598 -6.906 1.00 0.00 C ATOM 49 CG GLN A 3 -0.767 27.987 -7.466 1.00 0.00 C ATOM 50 CD GLN A 3 0.146 29.038 -6.866 1.00 0.00 C ATOM 51 OE1 GLN A 3 1.349 28.822 -6.722 1.00 0.00 O ATOM 52 NE2 GLN A 3 -0.423 30.185 -6.514 1.00 0.00 N ATOM 0 H GLN A 3 0.115 23.764 -7.882 1.00 0.00 H new ATOM 0 HA GLN A 3 0.963 26.446 -8.471 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.441 26.037 -6.897 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.179 26.688 -5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.634 27.970 -8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.805 28.262 -7.277 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.425 30.321 -6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.141 30.930 -6.106 1.00 0.00 H new ATOM 61 N GLN A 4 1.318 24.645 -5.711 1.00 0.00 N ATOM 62 CA GLN A 4 2.302 24.167 -4.748 1.00 0.00 C ATOM 63 C GLN A 4 1.974 22.749 -4.290 1.00 0.00 C ATOM 64 O GLN A 4 1.446 22.547 -3.197 1.00 0.00 O ATOM 65 CB GLN A 4 2.361 25.103 -3.539 1.00 0.00 C ATOM 66 CG GLN A 4 3.592 25.994 -3.518 1.00 0.00 C ATOM 67 CD GLN A 4 3.734 26.760 -2.216 1.00 0.00 C ATOM 68 OE1 GLN A 4 4.352 26.282 -1.265 1.00 0.00 O ATOM 69 NE2 GLN A 4 3.160 27.957 -2.169 1.00 0.00 N ATOM 0 H GLN A 4 0.357 24.373 -5.503 1.00 0.00 H new ATOM 0 HA GLN A 4 3.275 24.155 -5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 4 1.469 25.730 -3.532 1.00 0.00 H new ATOM 0 HB3 GLN A 4 2.339 24.506 -2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 4 4.481 25.383 -3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.540 26.700 -4.347 1.00 0.00 H new ATOM 0 HE21 GLN A 4 2.657 28.314 -2.982 1.00 0.00 H new ATOM 0 HE22 GLN A 4 3.222 28.519 -1.320 1.00 0.00 H new ATOM 78 N LEU A 5 2.293 21.772 -5.132 1.00 0.00 N ATOM 79 CA LEU A 5 2.034 20.374 -4.811 1.00 0.00 C ATOM 80 C LEU A 5 3.235 19.504 -5.166 1.00 0.00 C ATOM 81 O LEU A 5 3.960 19.789 -6.121 1.00 0.00 O ATOM 82 CB LEU A 5 0.792 19.881 -5.557 1.00 0.00 C ATOM 83 CG LEU A 5 -0.524 20.529 -5.123 1.00 0.00 C ATOM 84 CD1 LEU A 5 -1.618 20.248 -6.142 1.00 0.00 C ATOM 85 CD2 LEU A 5 -0.933 20.033 -3.746 1.00 0.00 C ATOM 0 H LEU A 5 2.731 21.923 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 5 1.859 20.298 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.933 20.059 -6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.710 18.802 -5.422 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.376 21.608 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.547 20.716 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.326 20.654 -7.110 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.766 19.172 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.871 20.504 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.063 18.951 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.158 20.287 -3.023 1.00 0.00 H new ATOM 97 N GLU A 6 3.444 18.447 -4.389 1.00 0.00 N ATOM 98 CA GLU A 6 4.561 17.539 -4.618 1.00 0.00 C ATOM 99 C GLU A 6 4.147 16.381 -5.521 1.00 0.00 C ATOM 100 O GLU A 6 4.384 15.214 -5.202 1.00 0.00 O ATOM 101 CB GLU A 6 5.090 17.002 -3.286 1.00 0.00 C ATOM 102 CG GLU A 6 6.596 17.136 -3.130 1.00 0.00 C ATOM 103 CD GLU A 6 7.352 16.706 -4.371 1.00 0.00 C ATOM 104 OE1 GLU A 6 6.892 15.763 -5.050 1.00 0.00 O ATOM 105 OE2 GLU A 6 8.405 17.311 -4.666 1.00 0.00 O ATOM 0 H GLU A 6 2.854 18.198 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 6 5.354 18.097 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.600 17.533 -2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.816 15.951 -3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.843 18.172 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.925 16.534 -2.282 1.00 0.00 H new ATOM 112 N MET A 7 3.530 16.709 -6.651 1.00 0.00 N ATOM 113 CA MET A 7 3.082 15.697 -7.601 1.00 0.00 C ATOM 114 C MET A 7 1.897 14.915 -7.047 1.00 0.00 C ATOM 115 O MET A 7 1.613 14.961 -5.850 1.00 0.00 O ATOM 116 CB MET A 7 4.227 14.738 -7.935 1.00 0.00 C ATOM 117 CG MET A 7 4.022 13.973 -9.233 1.00 0.00 C ATOM 118 SD MET A 7 5.574 13.607 -10.076 1.00 0.00 S ATOM 119 CE MET A 7 5.248 11.954 -10.686 1.00 0.00 C ATOM 0 H MET A 7 3.329 17.669 -6.932 1.00 0.00 H new ATOM 0 HA MET A 7 2.765 16.206 -8.511 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.156 15.304 -8.000 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.343 14.026 -7.118 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.499 13.040 -9.022 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.381 14.555 -9.896 1.00 0.00 H new ATOM 0 HE1 MET A 7 6.118 11.589 -11.231 1.00 0.00 H new ATOM 0 HE2 MET A 7 5.042 11.290 -9.846 1.00 0.00 H new ATOM 0 HE3 MET A 7 4.385 11.975 -11.352 1.00 0.00 H new ATOM 129 N GLN A 8 1.206 14.199 -7.926 1.00 0.00 N ATOM 130 CA GLN A 8 0.052 13.402 -7.528 1.00 0.00 C ATOM 131 C GLN A 8 0.449 11.947 -7.309 1.00 0.00 C ATOM 132 O GLN A 8 -0.363 11.038 -7.479 1.00 0.00 O ATOM 133 CB GLN A 8 -1.044 13.489 -8.591 1.00 0.00 C ATOM 134 CG GLN A 8 -2.452 13.453 -8.020 1.00 0.00 C ATOM 135 CD GLN A 8 -3.432 14.274 -8.836 1.00 0.00 C ATOM 136 OE1 GLN A 8 -3.277 14.424 -10.047 1.00 0.00 O ATOM 137 NE2 GLN A 8 -4.449 14.812 -8.172 1.00 0.00 N ATOM 0 H GLN A 8 1.425 14.154 -8.921 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.330 13.802 -6.589 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.915 14.410 -9.159 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.924 12.663 -9.292 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.797 12.420 -7.977 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.435 13.826 -6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.539 14.662 -7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.140 15.375 -8.667 1.00 0.00 H new ATOM 146 N LYS A 9 1.706 11.733 -6.933 1.00 0.00 N ATOM 147 CA LYS A 9 2.215 10.387 -6.693 1.00 0.00 C ATOM 148 C LYS A 9 3.330 10.400 -5.651 1.00 0.00 C ATOM 149 O LYS A 9 3.369 9.552 -4.758 1.00 0.00 O ATOM 150 CB LYS A 9 2.731 9.776 -7.997 1.00 0.00 C ATOM 151 CG LYS A 9 1.708 8.902 -8.706 1.00 0.00 C ATOM 152 CD LYS A 9 1.648 7.510 -8.099 1.00 0.00 C ATOM 153 CE LYS A 9 0.239 6.942 -8.146 1.00 0.00 C ATOM 154 NZ LYS A 9 -0.738 7.821 -7.446 1.00 0.00 N ATOM 0 H LYS A 9 2.391 12.475 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 9 1.394 9.780 -6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.038 10.578 -8.668 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.619 9.181 -7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.725 9.369 -8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.962 8.828 -9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.326 6.848 -8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.992 7.548 -7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.067 6.815 -9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.231 5.953 -7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.498 7.240 -7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.255 8.341 -6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.145 8.497 -8.124 1.00 0.00 H new ATOM 168 N LYS A 10 4.233 11.369 -5.766 1.00 0.00 N ATOM 169 CA LYS A 10 5.350 11.488 -4.836 1.00 0.00 C ATOM 170 C LYS A 10 4.862 11.517 -3.391 1.00 0.00 C ATOM 171 O LYS A 10 5.539 11.026 -2.488 1.00 0.00 O ATOM 172 CB LYS A 10 6.157 12.752 -5.137 1.00 0.00 C ATOM 173 CG LYS A 10 7.659 12.560 -5.005 1.00 0.00 C ATOM 174 CD LYS A 10 8.331 12.477 -6.366 1.00 0.00 C ATOM 175 CE LYS A 10 9.824 12.742 -6.268 1.00 0.00 C ATOM 176 NZ LYS A 10 10.612 11.795 -7.103 1.00 0.00 N ATOM 0 H LYS A 10 4.213 12.083 -6.494 1.00 0.00 H new ATOM 0 HA LYS A 10 5.989 10.614 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.929 13.086 -6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.840 13.546 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.084 13.388 -4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.862 11.650 -4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.163 11.489 -6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.876 13.201 -7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.033 13.764 -6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.140 12.659 -5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.625 12.009 -7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.433 10.821 -6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.329 11.892 -8.099 1.00 0.00 H new ATOM 190 N GLN A 11 3.686 12.099 -3.177 1.00 0.00 N ATOM 191 CA GLN A 11 3.115 12.196 -1.840 1.00 0.00 C ATOM 192 C GLN A 11 3.036 10.823 -1.179 1.00 0.00 C ATOM 193 O GLN A 11 3.506 10.635 -0.058 1.00 0.00 O ATOM 194 CB GLN A 11 1.721 12.825 -1.903 1.00 0.00 C ATOM 195 CG GLN A 11 1.717 14.248 -2.437 1.00 0.00 C ATOM 196 CD GLN A 11 0.658 15.113 -1.781 1.00 0.00 C ATOM 197 OE1 GLN A 11 0.784 15.490 -0.616 1.00 0.00 O ATOM 198 NE2 GLN A 11 -0.393 15.432 -2.527 1.00 0.00 N ATOM 0 H GLN A 11 3.111 12.510 -3.912 1.00 0.00 H new ATOM 0 HA GLN A 11 3.767 12.831 -1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.082 12.208 -2.534 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.284 12.820 -0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.698 14.696 -2.276 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.549 14.228 -3.514 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.456 15.097 -3.488 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.137 16.012 -2.139 1.00 0.00 H new ATOM 207 N ILE A 12 2.441 9.867 -1.885 1.00 0.00 N ATOM 208 CA ILE A 12 2.310 8.508 -1.373 1.00 0.00 C ATOM 209 C ILE A 12 3.669 7.826 -1.309 1.00 0.00 C ATOM 210 O ILE A 12 3.983 7.126 -0.346 1.00 0.00 O ATOM 211 CB ILE A 12 1.359 7.648 -2.236 1.00 0.00 C ATOM 212 CG1 ILE A 12 0.244 8.508 -2.847 1.00 0.00 C ATOM 213 CG2 ILE A 12 0.772 6.540 -1.399 1.00 0.00 C ATOM 214 CD1 ILE A 12 -0.903 7.715 -3.444 1.00 0.00 C ATOM 0 H ILE A 12 2.042 10.008 -2.813 1.00 0.00 H new ATOM 0 HA ILE A 12 1.886 8.592 -0.372 1.00 0.00 H new ATOM 0 HB ILE A 12 1.931 7.211 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.151 9.171 -2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.674 9.142 -3.623 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.102 5.937 -2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.575 5.912 -1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.214 6.969 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.645 8.401 -3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.526 7.072 -4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.363 7.102 -2.669 1.00 0.00 H new ATOM 226 N MET A 13 4.469 8.039 -2.345 1.00 0.00 N ATOM 227 CA MET A 13 5.800 7.471 -2.422 1.00 0.00 C ATOM 228 C MET A 13 6.642 7.888 -1.223 1.00 0.00 C ATOM 229 O MET A 13 7.552 7.169 -0.810 1.00 0.00 O ATOM 230 CB MET A 13 6.460 7.901 -3.725 1.00 0.00 C ATOM 231 CG MET A 13 6.327 6.878 -4.843 1.00 0.00 C ATOM 232 SD MET A 13 7.916 6.196 -5.353 1.00 0.00 S ATOM 233 CE MET A 13 7.926 6.619 -7.093 1.00 0.00 C ATOM 0 H MET A 13 4.211 8.609 -3.151 1.00 0.00 H new ATOM 0 HA MET A 13 5.722 6.384 -2.404 1.00 0.00 H new ATOM 0 HB2 MET A 13 6.020 8.843 -4.052 1.00 0.00 H new ATOM 0 HB3 MET A 13 7.518 8.090 -3.541 1.00 0.00 H new ATOM 0 HG2 MET A 13 5.677 6.067 -4.513 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.844 7.345 -5.702 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.849 6.262 -7.549 1.00 0.00 H new ATOM 0 HE2 MET A 13 7.074 6.152 -7.586 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.861 7.701 -7.205 1.00 0.00 H new ATOM 243 N MET A 14 6.340 9.056 -0.676 1.00 0.00 N ATOM 244 CA MET A 14 7.065 9.578 0.467 1.00 0.00 C ATOM 245 C MET A 14 6.531 9.008 1.785 1.00 0.00 C ATOM 246 O MET A 14 7.185 9.129 2.822 1.00 0.00 O ATOM 247 CB MET A 14 6.976 11.111 0.466 1.00 0.00 C ATOM 248 CG MET A 14 7.392 11.761 1.773 1.00 0.00 C ATOM 249 SD MET A 14 7.613 13.544 1.626 1.00 0.00 S ATOM 250 CE MET A 14 8.294 13.936 3.235 1.00 0.00 C ATOM 0 H MET A 14 5.591 9.663 -1.010 1.00 0.00 H new ATOM 0 HA MET A 14 8.108 9.271 0.384 1.00 0.00 H new ATOM 0 HB2 MET A 14 7.604 11.499 -0.336 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.951 11.404 0.238 1.00 0.00 H new ATOM 0 HG2 MET A 14 6.638 11.554 2.533 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.323 11.311 2.117 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.485 15.007 3.298 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.584 13.648 4.010 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.228 13.392 3.377 1.00 0.00 H new ATOM 260 N GLN A 15 5.332 8.421 1.762 1.00 0.00 N ATOM 261 CA GLN A 15 4.725 7.917 2.993 1.00 0.00 C ATOM 262 C GLN A 15 4.919 6.412 3.188 1.00 0.00 C ATOM 263 O GLN A 15 5.352 5.989 4.256 1.00 0.00 O ATOM 264 CB GLN A 15 3.230 8.242 3.003 1.00 0.00 C ATOM 265 CG GLN A 15 2.931 9.728 3.123 1.00 0.00 C ATOM 266 CD GLN A 15 1.470 10.005 3.422 1.00 0.00 C ATOM 267 OE1 GLN A 15 0.615 9.135 3.249 1.00 0.00 O ATOM 268 NE2 GLN A 15 1.178 11.218 3.873 1.00 0.00 N ATOM 0 H GLN A 15 4.772 8.285 0.920 1.00 0.00 H new ATOM 0 HA GLN A 15 5.233 8.415 3.819 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.778 7.862 2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.758 7.717 3.833 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.548 10.157 3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.209 10.227 2.195 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.919 11.907 4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.212 11.462 4.092 1.00 0.00 H new ATOM 277 N ILE A 16 4.666 5.617 2.144 1.00 0.00 N ATOM 278 CA ILE A 16 4.830 4.157 2.221 1.00 0.00 C ATOM 279 C ILE A 16 4.481 3.485 0.895 1.00 0.00 C ATOM 280 O ILE A 16 3.836 2.438 0.873 1.00 0.00 O ATOM 281 CB ILE A 16 3.960 3.507 3.328 1.00 0.00 C ATOM 282 CG1 ILE A 16 2.609 4.225 3.444 1.00 0.00 C ATOM 283 CG2 ILE A 16 4.703 3.490 4.658 1.00 0.00 C ATOM 284 CD1 ILE A 16 1.855 3.936 4.728 1.00 0.00 C ATOM 0 H ILE A 16 4.347 5.956 1.236 1.00 0.00 H new ATOM 0 HA ILE A 16 5.882 4.002 2.462 1.00 0.00 H new ATOM 0 HB ILE A 16 3.761 2.472 3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.775 5.300 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.985 3.938 2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.074 3.030 5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.624 2.917 4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.943 4.511 4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.912 4.483 4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.654 2.867 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.456 4.250 5.581 1.00 0.00 H new ATOM 296 N LEU A 17 4.903 4.086 -0.208 1.00 0.00 N ATOM 297 CA LEU A 17 4.648 3.513 -1.523 1.00 0.00 C ATOM 298 C LEU A 17 5.894 2.807 -2.044 1.00 0.00 C ATOM 299 O LEU A 17 6.993 3.360 -2.000 1.00 0.00 O ATOM 300 CB LEU A 17 4.235 4.601 -2.511 1.00 0.00 C ATOM 301 CG LEU A 17 2.997 4.322 -3.348 1.00 0.00 C ATOM 302 CD1 LEU A 17 2.945 5.292 -4.519 1.00 0.00 C ATOM 303 CD2 LEU A 17 2.992 2.880 -3.838 1.00 0.00 C ATOM 0 H LEU A 17 5.420 4.965 -0.220 1.00 0.00 H new ATOM 0 HA LEU A 17 3.837 2.791 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.069 5.523 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.070 4.783 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 17 2.110 4.466 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.057 5.091 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.906 6.314 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.835 5.166 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.098 2.702 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.877 2.700 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.998 2.205 -2.982 1.00 0.00 H new ATOM 315 N THR A 18 5.720 1.594 -2.548 1.00 0.00 N ATOM 316 CA THR A 18 6.835 0.839 -3.101 1.00 0.00 C ATOM 317 C THR A 18 6.594 0.541 -4.576 1.00 0.00 C ATOM 318 O THR A 18 5.456 0.336 -4.996 1.00 0.00 O ATOM 319 CB THR A 18 7.040 -0.464 -2.328 1.00 0.00 C ATOM 320 OG1 THR A 18 5.922 -0.739 -1.502 1.00 0.00 O ATOM 321 CG2 THR A 18 8.270 -0.451 -1.448 1.00 0.00 C ATOM 0 H THR A 18 4.821 1.113 -2.586 1.00 0.00 H new ATOM 0 HA THR A 18 7.737 1.443 -3.007 1.00 0.00 H new ATOM 0 HB THR A 18 7.167 -1.234 -3.089 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.877 -0.077 -0.781 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.356 -1.405 -0.928 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.156 -0.292 -2.063 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.186 0.354 -0.718 1.00 0.00 H new ATOM 329 N PRO A 19 7.659 0.546 -5.392 1.00 0.00 N ATOM 330 CA PRO A 19 7.550 0.260 -6.822 1.00 0.00 C ATOM 331 C PRO A 19 6.730 -0.997 -7.071 1.00 0.00 C ATOM 332 O PRO A 19 5.932 -1.061 -8.006 1.00 0.00 O ATOM 333 CB PRO A 19 9.005 0.064 -7.277 1.00 0.00 C ATOM 334 CG PRO A 19 9.816 -0.005 -6.023 1.00 0.00 C ATOM 335 CD PRO A 19 9.050 0.764 -4.986 1.00 0.00 C ATOM 0 HA PRO A 19 7.043 1.057 -7.367 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.112 -0.849 -7.863 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.332 0.889 -7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.963 -1.039 -5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.806 0.426 -6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.242 0.391 -3.980 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.313 1.822 -4.989 1.00 0.00 H new ATOM 343 N GLU A 20 6.926 -1.991 -6.215 1.00 0.00 N ATOM 344 CA GLU A 20 6.192 -3.244 -6.309 1.00 0.00 C ATOM 345 C GLU A 20 4.748 -3.069 -5.848 1.00 0.00 C ATOM 346 O GLU A 20 3.845 -3.722 -6.358 1.00 0.00 O ATOM 347 CB GLU A 20 6.875 -4.324 -5.468 1.00 0.00 C ATOM 348 CG GLU A 20 6.870 -5.696 -6.123 1.00 0.00 C ATOM 349 CD GLU A 20 7.767 -6.687 -5.406 1.00 0.00 C ATOM 350 OE1 GLU A 20 8.936 -6.342 -5.135 1.00 0.00 O ATOM 351 OE2 GLU A 20 7.299 -7.809 -5.117 1.00 0.00 O ATOM 0 H GLU A 20 7.592 -1.952 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 20 6.187 -3.552 -7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.906 -4.026 -5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.376 -4.390 -4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.851 -6.082 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.195 -5.601 -7.159 1.00 0.00 H new ATOM 358 N ALA A 21 4.536 -2.186 -4.879 1.00 0.00 N ATOM 359 CA ALA A 21 3.204 -1.973 -4.320 1.00 0.00 C ATOM 360 C ALA A 21 2.169 -1.696 -5.410 1.00 0.00 C ATOM 361 O ALA A 21 1.131 -2.360 -5.476 1.00 0.00 O ATOM 362 CB ALA A 21 3.235 -0.825 -3.319 1.00 0.00 C ATOM 0 H ALA A 21 5.266 -1.607 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 21 2.907 -2.890 -3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.237 -0.674 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.928 -1.064 -2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.563 0.086 -3.820 1.00 0.00 H new ATOM 368 N ARG A 22 2.472 -0.743 -6.284 1.00 0.00 N ATOM 369 CA ARG A 22 1.548 -0.363 -7.347 1.00 0.00 C ATOM 370 C ARG A 22 1.469 -1.432 -8.437 1.00 0.00 C ATOM 371 O ARG A 22 0.378 -1.849 -8.831 1.00 0.00 O ATOM 372 CB ARG A 22 1.979 0.973 -7.959 1.00 0.00 C ATOM 373 CG ARG A 22 1.675 2.175 -7.082 1.00 0.00 C ATOM 374 CD ARG A 22 0.688 3.118 -7.752 1.00 0.00 C ATOM 375 NE ARG A 22 1.267 3.776 -8.920 1.00 0.00 N ATOM 376 CZ ARG A 22 0.560 4.497 -9.785 1.00 0.00 C ATOM 377 NH1 ARG A 22 -0.746 4.653 -9.612 1.00 0.00 N ATOM 378 NH2 ARG A 22 1.159 5.064 -10.824 1.00 0.00 N ATOM 0 H ARG A 22 3.348 -0.220 -6.278 1.00 0.00 H new ATOM 0 HA ARG A 22 0.556 -0.263 -6.906 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.050 0.942 -8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.480 1.100 -8.919 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.268 1.838 -6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.599 2.710 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.199 2.561 -8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.363 3.872 -7.035 1.00 0.00 H new ATOM 0 HE ARG A 22 2.269 3.677 -9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.210 4.219 -8.814 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.286 5.207 -10.277 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.163 4.947 -10.960 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.615 5.617 -11.487 1.00 0.00 H new ATOM 392 N SER A 23 2.625 -1.872 -8.921 1.00 0.00 N ATOM 393 CA SER A 23 2.679 -2.868 -9.987 1.00 0.00 C ATOM 394 C SER A 23 2.163 -4.225 -9.515 1.00 0.00 C ATOM 395 O SER A 23 1.429 -4.901 -10.236 1.00 0.00 O ATOM 396 CB SER A 23 4.111 -3.011 -10.505 1.00 0.00 C ATOM 397 OG SER A 23 4.360 -2.109 -11.571 1.00 0.00 O ATOM 0 H SER A 23 3.537 -1.555 -8.593 1.00 0.00 H new ATOM 0 HA SER A 23 2.033 -2.522 -10.794 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.815 -2.824 -9.694 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.279 -4.034 -10.843 1.00 0.00 H new ATOM 0 HG SER A 23 5.282 -2.219 -11.884 1.00 0.00 H new ATOM 403 N ARG A 24 2.561 -4.628 -8.314 1.00 0.00 N ATOM 404 CA ARG A 24 2.144 -5.913 -7.768 1.00 0.00 C ATOM 405 C ARG A 24 0.627 -6.009 -7.689 1.00 0.00 C ATOM 406 O ARG A 24 0.029 -6.945 -8.220 1.00 0.00 O ATOM 407 CB ARG A 24 2.746 -6.131 -6.378 1.00 0.00 C ATOM 408 CG ARG A 24 2.291 -7.421 -5.723 1.00 0.00 C ATOM 409 CD ARG A 24 1.931 -7.210 -4.261 1.00 0.00 C ATOM 410 NE ARG A 24 1.570 -8.461 -3.598 1.00 0.00 N ATOM 411 CZ ARG A 24 2.442 -9.423 -3.316 1.00 0.00 C ATOM 412 NH1 ARG A 24 3.720 -9.278 -3.638 1.00 0.00 N ATOM 413 NH2 ARG A 24 2.037 -10.532 -2.710 1.00 0.00 N ATOM 0 H ARG A 24 3.170 -4.085 -7.702 1.00 0.00 H new ATOM 0 HA ARG A 24 2.508 -6.690 -8.440 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.833 -6.136 -6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.477 -5.291 -5.737 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.427 -7.816 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.082 -8.167 -5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.775 -6.756 -3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.099 -6.509 -4.190 1.00 0.00 H new ATOM 0 HE ARG A 24 0.594 -8.604 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.035 -8.427 -4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.388 -10.018 -3.421 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.055 -10.647 -2.460 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.708 -11.269 -2.494 1.00 0.00 H new ATOM 427 N LEU A 25 0.004 -5.041 -7.022 1.00 0.00 N ATOM 428 CA LEU A 25 -1.445 -5.042 -6.878 1.00 0.00 C ATOM 429 C LEU A 25 -2.123 -5.188 -8.234 1.00 0.00 C ATOM 430 O LEU A 25 -2.966 -6.065 -8.427 1.00 0.00 O ATOM 431 CB LEU A 25 -1.915 -3.764 -6.188 1.00 0.00 C ATOM 432 CG LEU A 25 -2.881 -3.984 -5.023 1.00 0.00 C ATOM 433 CD1 LEU A 25 -2.780 -2.843 -4.027 1.00 0.00 C ATOM 434 CD2 LEU A 25 -4.308 -4.129 -5.532 1.00 0.00 C ATOM 0 H LEU A 25 0.476 -4.254 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.723 -5.896 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.042 -3.223 -5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.398 -3.125 -6.927 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.605 -4.908 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.474 -3.016 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.763 -2.788 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.030 -1.905 -4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.981 -4.285 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.598 -3.224 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.369 -4.983 -6.207 1.00 0.00 H new ATOM 446 N ALA A 26 -1.735 -4.339 -9.175 1.00 0.00 N ATOM 447 CA ALA A 26 -2.285 -4.394 -10.523 1.00 0.00 C ATOM 448 C ALA A 26 -2.139 -5.795 -11.105 1.00 0.00 C ATOM 449 O ALA A 26 -3.021 -6.287 -11.808 1.00 0.00 O ATOM 450 CB ALA A 26 -1.579 -3.383 -11.412 1.00 0.00 C ATOM 0 H ALA A 26 -1.042 -3.604 -9.031 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.346 -4.149 -10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.995 -3.430 -12.418 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.721 -2.381 -11.007 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.514 -3.612 -11.449 1.00 0.00 H new ATOM 456 N ASN A 27 -0.995 -6.410 -10.833 1.00 0.00 N ATOM 457 CA ASN A 27 -0.695 -7.748 -11.324 1.00 0.00 C ATOM 458 C ASN A 27 -1.498 -8.810 -10.588 1.00 0.00 C ATOM 459 O ASN A 27 -2.013 -9.748 -11.191 1.00 0.00 O ATOM 460 CB ASN A 27 0.790 -8.035 -11.133 1.00 0.00 C ATOM 461 CG ASN A 27 1.209 -9.360 -11.740 1.00 0.00 C ATOM 462 OD1 ASN A 27 1.294 -10.373 -11.047 1.00 0.00 O ATOM 463 ND2 ASN A 27 1.469 -9.359 -13.043 1.00 0.00 N ATOM 0 H ASN A 27 -0.252 -5.997 -10.268 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.963 -7.784 -12.380 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.373 -7.232 -11.584 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.022 -8.038 -10.068 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.752 -10.222 -13.507 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.386 -8.495 -13.579 1.00 0.00 H new ATOM 470 N LEU A 28 -1.575 -8.659 -9.275 1.00 0.00 N ATOM 471 CA LEU A 28 -2.244 -9.630 -8.425 1.00 0.00 C ATOM 472 C LEU A 28 -3.649 -9.958 -8.922 1.00 0.00 C ATOM 473 O LEU A 28 -4.174 -11.037 -8.650 1.00 0.00 O ATOM 474 CB LEU A 28 -2.299 -9.106 -6.995 1.00 0.00 C ATOM 475 CG LEU A 28 -1.352 -9.800 -6.016 1.00 0.00 C ATOM 476 CD1 LEU A 28 -1.799 -11.231 -5.770 1.00 0.00 C ATOM 477 CD2 LEU A 28 0.074 -9.770 -6.544 1.00 0.00 C ATOM 0 H LEU A 28 -1.178 -7.865 -8.772 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.668 -10.555 -8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.070 -8.040 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.319 -9.209 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.379 -9.262 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.114 -11.711 -5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.805 -11.231 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.799 -11.779 -6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.735 -10.268 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.117 -10.285 -7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.393 -8.736 -6.672 1.00 0.00 H new ATOM 489 N ARG A 29 -4.260 -9.027 -9.640 1.00 0.00 N ATOM 490 CA ARG A 29 -5.607 -9.236 -10.161 1.00 0.00 C ATOM 491 C ARG A 29 -5.699 -10.557 -10.919 1.00 0.00 C ATOM 492 O ARG A 29 -6.757 -11.183 -10.966 1.00 0.00 O ATOM 493 CB ARG A 29 -6.000 -8.080 -11.084 1.00 0.00 C ATOM 494 CG ARG A 29 -6.659 -6.919 -10.360 1.00 0.00 C ATOM 495 CD ARG A 29 -5.626 -5.978 -9.760 1.00 0.00 C ATOM 496 NE ARG A 29 -5.902 -4.583 -10.088 1.00 0.00 N ATOM 497 CZ ARG A 29 -5.652 -4.044 -11.276 1.00 0.00 C ATOM 498 NH1 ARG A 29 -5.122 -4.782 -12.243 1.00 0.00 N ATOM 499 NH2 ARG A 29 -5.931 -2.768 -11.500 1.00 0.00 N ATOM 0 H ARG A 29 -3.849 -8.124 -9.875 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.296 -9.273 -9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.110 -7.718 -11.598 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.680 -8.453 -11.850 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.294 -6.369 -11.055 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.306 -7.301 -9.571 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.611 -6.100 -8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.635 -6.247 -10.125 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.309 -3.989 -9.365 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.906 -5.765 -12.075 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.931 -4.367 -13.155 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.339 -2.197 -10.759 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.738 -2.356 -12.413 1.00 0.00 H new ATOM 513 N LEU A 30 -4.584 -10.978 -11.507 1.00 0.00 N ATOM 514 CA LEU A 30 -4.548 -12.221 -12.276 1.00 0.00 C ATOM 515 C LEU A 30 -4.307 -13.443 -11.377 1.00 0.00 C ATOM 516 O LEU A 30 -4.178 -14.562 -11.874 1.00 0.00 O ATOM 517 CB LEU A 30 -3.477 -12.124 -13.385 1.00 0.00 C ATOM 518 CG LEU A 30 -2.149 -12.853 -13.129 1.00 0.00 C ATOM 519 CD1 LEU A 30 -1.285 -12.838 -14.380 1.00 0.00 C ATOM 520 CD2 LEU A 30 -1.404 -12.225 -11.962 1.00 0.00 C ATOM 0 H LEU A 30 -3.695 -10.480 -11.467 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.524 -12.360 -12.741 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.907 -12.514 -14.308 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.259 -11.070 -13.556 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.373 -13.889 -12.873 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.348 -13.358 -14.181 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.813 -13.338 -15.193 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.074 -11.807 -14.664 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.467 -12.758 -11.799 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.193 -11.179 -12.186 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.017 -12.287 -11.063 1.00 0.00 H new ATOM 532 N THR A 31 -4.243 -13.233 -10.064 1.00 0.00 N ATOM 533 CA THR A 31 -4.011 -14.334 -9.133 1.00 0.00 C ATOM 534 C THR A 31 -5.242 -14.596 -8.268 1.00 0.00 C ATOM 535 O THR A 31 -6.020 -15.508 -8.545 1.00 0.00 O ATOM 536 CB THR A 31 -2.806 -14.038 -8.242 1.00 0.00 C ATOM 537 OG1 THR A 31 -3.004 -12.836 -7.522 1.00 0.00 O ATOM 538 CG2 THR A 31 -1.507 -13.908 -9.010 1.00 0.00 C ATOM 0 H THR A 31 -4.348 -12.319 -9.624 1.00 0.00 H new ATOM 0 HA THR A 31 -3.808 -15.228 -9.723 1.00 0.00 H new ATOM 0 HB THR A 31 -2.724 -14.893 -7.571 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.151 -12.099 -8.151 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.693 -13.698 -8.316 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.302 -14.839 -9.538 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.590 -13.093 -9.729 1.00 0.00 H new ATOM 546 N ARG A 32 -5.403 -13.806 -7.210 1.00 0.00 N ATOM 547 CA ARG A 32 -6.542 -13.966 -6.312 1.00 0.00 C ATOM 548 C ARG A 32 -7.378 -12.689 -6.248 1.00 0.00 C ATOM 549 O ARG A 32 -6.847 -11.605 -6.009 1.00 0.00 O ATOM 550 CB ARG A 32 -6.069 -14.321 -4.898 1.00 0.00 C ATOM 551 CG ARG A 32 -4.905 -15.300 -4.853 1.00 0.00 C ATOM 552 CD ARG A 32 -3.561 -14.591 -4.919 1.00 0.00 C ATOM 553 NE ARG A 32 -2.476 -15.511 -5.251 1.00 0.00 N ATOM 554 CZ ARG A 32 -1.191 -15.238 -5.048 1.00 0.00 C ATOM 555 NH1 ARG A 32 -0.834 -14.076 -4.520 1.00 0.00 N ATOM 556 NH2 ARG A 32 -0.262 -16.127 -5.375 1.00 0.00 N ATOM 0 H ARG A 32 -4.764 -13.053 -6.955 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.156 -14.775 -6.708 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.778 -13.405 -4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.906 -14.745 -4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.960 -15.887 -3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.987 -15.999 -5.685 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.605 -13.798 -5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.354 -14.116 -3.960 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.718 -16.413 -5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.546 -13.390 -4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.152 -13.868 -4.365 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.533 -17.022 -5.783 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.724 -15.916 -5.219 1.00 0.00 H new ATOM 570 N PRO A 33 -8.707 -12.802 -6.424 1.00 0.00 N ATOM 571 CA PRO A 33 -9.611 -11.654 -6.325 1.00 0.00 C ATOM 572 C PRO A 33 -9.759 -11.167 -4.883 1.00 0.00 C ATOM 573 O PRO A 33 -10.197 -10.042 -4.639 1.00 0.00 O ATOM 574 CB PRO A 33 -10.937 -12.202 -6.850 1.00 0.00 C ATOM 575 CG PRO A 33 -10.883 -13.661 -6.554 1.00 0.00 C ATOM 576 CD PRO A 33 -9.437 -14.058 -6.682 1.00 0.00 C ATOM 0 HA PRO A 33 -9.247 -10.791 -6.882 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.785 -11.728 -6.356 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.047 -12.018 -7.919 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.257 -13.870 -5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.505 -14.224 -7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.169 -14.832 -5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.216 -14.453 -7.673 1.00 0.00 H new ATOM 584 N ASP A 34 -9.408 -12.033 -3.933 1.00 0.00 N ATOM 585 CA ASP A 34 -9.506 -11.704 -2.514 1.00 0.00 C ATOM 586 C ASP A 34 -8.568 -10.565 -2.152 1.00 0.00 C ATOM 587 O ASP A 34 -8.988 -9.558 -1.580 1.00 0.00 O ATOM 588 CB ASP A 34 -9.182 -12.938 -1.669 1.00 0.00 C ATOM 589 CG ASP A 34 -10.053 -14.127 -2.025 1.00 0.00 C ATOM 590 OD1 ASP A 34 -11.288 -14.020 -1.880 1.00 0.00 O ATOM 591 OD2 ASP A 34 -9.500 -15.164 -2.447 1.00 0.00 O ATOM 0 H ASP A 34 -9.052 -12.970 -4.123 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.527 -11.383 -2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.134 -13.204 -1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.314 -12.697 -0.614 1.00 0.00 H new ATOM 596 N PHE A 35 -7.300 -10.720 -2.504 1.00 0.00 N ATOM 597 CA PHE A 35 -6.298 -9.709 -2.205 1.00 0.00 C ATOM 598 C PHE A 35 -6.679 -8.364 -2.828 1.00 0.00 C ATOM 599 O PHE A 35 -6.800 -7.362 -2.127 1.00 0.00 O ATOM 600 CB PHE A 35 -4.924 -10.195 -2.687 1.00 0.00 C ATOM 601 CG PHE A 35 -3.938 -9.113 -3.041 1.00 0.00 C ATOM 602 CD1 PHE A 35 -3.946 -8.543 -4.300 1.00 0.00 C ATOM 603 CD2 PHE A 35 -2.995 -8.683 -2.122 1.00 0.00 C ATOM 604 CE1 PHE A 35 -3.042 -7.556 -4.637 1.00 0.00 C ATOM 605 CE2 PHE A 35 -2.074 -7.710 -2.459 1.00 0.00 C ATOM 606 CZ PHE A 35 -2.105 -7.137 -3.715 1.00 0.00 C ATOM 0 H PHE A 35 -6.941 -11.537 -2.997 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.248 -9.554 -1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.486 -10.820 -1.909 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.069 -10.829 -3.561 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.670 -8.874 -5.030 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.980 -9.113 -1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.068 -7.112 -5.621 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.330 -7.398 -1.741 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.398 -6.363 -3.975 1.00 0.00 H new ATOM 616 N VAL A 36 -6.912 -8.352 -4.136 1.00 0.00 N ATOM 617 CA VAL A 36 -7.250 -7.114 -4.830 1.00 0.00 C ATOM 618 C VAL A 36 -8.516 -6.471 -4.266 1.00 0.00 C ATOM 619 O VAL A 36 -8.536 -5.273 -3.995 1.00 0.00 O ATOM 620 CB VAL A 36 -7.435 -7.332 -6.348 1.00 0.00 C ATOM 621 CG1 VAL A 36 -7.772 -6.018 -7.038 1.00 0.00 C ATOM 622 CG2 VAL A 36 -6.190 -7.954 -6.962 1.00 0.00 C ATOM 0 H VAL A 36 -6.874 -9.178 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.406 -6.444 -4.668 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.266 -8.022 -6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.899 -6.190 -8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.696 -5.616 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.963 -5.305 -6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.345 -8.098 -8.031 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.338 -7.293 -6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.994 -8.917 -6.491 1.00 0.00 H new ATOM 632 N GLU A 37 -9.579 -7.256 -4.119 1.00 0.00 N ATOM 633 CA GLU A 37 -10.861 -6.721 -3.659 1.00 0.00 C ATOM 634 C GLU A 37 -10.747 -6.039 -2.295 1.00 0.00 C ATOM 635 O GLU A 37 -11.114 -4.870 -2.145 1.00 0.00 O ATOM 636 CB GLU A 37 -11.901 -7.842 -3.589 1.00 0.00 C ATOM 637 CG GLU A 37 -12.287 -8.398 -4.950 1.00 0.00 C ATOM 638 CD GLU A 37 -13.498 -7.704 -5.542 1.00 0.00 C ATOM 639 OE1 GLU A 37 -14.561 -7.704 -4.886 1.00 0.00 O ATOM 640 OE2 GLU A 37 -13.382 -7.159 -6.659 1.00 0.00 O ATOM 0 H GLU A 37 -9.581 -8.258 -4.310 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.175 -5.967 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.510 -8.651 -2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.795 -7.466 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.444 -8.295 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.493 -9.464 -4.857 1.00 0.00 H new ATOM 647 N GLN A 38 -10.204 -6.751 -1.313 1.00 0.00 N ATOM 648 CA GLN A 38 -10.055 -6.199 0.026 1.00 0.00 C ATOM 649 C GLN A 38 -9.027 -5.077 0.027 1.00 0.00 C ATOM 650 O GLN A 38 -9.300 -3.959 0.478 1.00 0.00 O ATOM 651 CB GLN A 38 -9.636 -7.300 0.998 1.00 0.00 C ATOM 652 CG GLN A 38 -9.686 -6.881 2.451 1.00 0.00 C ATOM 653 CD GLN A 38 -11.055 -7.079 3.071 1.00 0.00 C ATOM 654 OE1 GLN A 38 -11.863 -6.151 3.131 1.00 0.00 O ATOM 655 NE2 GLN A 38 -11.324 -8.293 3.537 1.00 0.00 N ATOM 0 H GLN A 38 -9.862 -7.706 -1.419 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.013 -5.789 0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.285 -8.164 0.856 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.622 -7.619 0.756 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.950 -7.454 3.015 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.404 -5.831 2.532 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.625 -9.033 3.467 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.229 -8.486 3.965 1.00 0.00 H new ATOM 664 N ILE A 39 -7.853 -5.371 -0.515 1.00 0.00 N ATOM 665 CA ILE A 39 -6.801 -4.379 -0.607 1.00 0.00 C ATOM 666 C ILE A 39 -7.308 -3.150 -1.349 1.00 0.00 C ATOM 667 O ILE A 39 -7.084 -2.031 -0.914 1.00 0.00 O ATOM 668 CB ILE A 39 -5.538 -4.948 -1.301 1.00 0.00 C ATOM 669 CG1 ILE A 39 -4.892 -6.011 -0.381 1.00 0.00 C ATOM 670 CG2 ILE A 39 -4.554 -3.827 -1.661 1.00 0.00 C ATOM 671 CD1 ILE A 39 -3.380 -6.080 -0.440 1.00 0.00 C ATOM 0 H ILE A 39 -7.610 -6.286 -0.895 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.517 -4.095 0.406 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.821 -5.425 -2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.191 -5.808 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.295 -6.989 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.677 -4.255 -2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.037 -3.123 -2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.248 -3.306 -0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.024 -6.854 0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.066 -6.317 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.960 -5.118 -0.146 1.00 0.00 H new ATOM 683 N GLU A 40 -8.046 -3.362 -2.434 1.00 0.00 N ATOM 684 CA GLU A 40 -8.556 -2.247 -3.225 1.00 0.00 C ATOM 685 C GLU A 40 -9.286 -1.251 -2.336 1.00 0.00 C ATOM 686 O GLU A 40 -8.982 -0.060 -2.352 1.00 0.00 O ATOM 687 CB GLU A 40 -9.496 -2.740 -4.327 1.00 0.00 C ATOM 688 CG GLU A 40 -8.797 -2.999 -5.652 1.00 0.00 C ATOM 689 CD GLU A 40 -9.759 -3.420 -6.746 1.00 0.00 C ATOM 690 OE1 GLU A 40 -10.578 -4.331 -6.499 1.00 0.00 O ATOM 691 OE2 GLU A 40 -9.694 -2.839 -7.849 1.00 0.00 O ATOM 0 H GLU A 40 -8.302 -4.285 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.703 -1.752 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.981 -3.658 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.283 -2.001 -4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.271 -2.097 -5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.045 -3.776 -5.516 1.00 0.00 H new ATOM 698 N LEU A 41 -10.224 -1.748 -1.537 1.00 0.00 N ATOM 699 CA LEU A 41 -10.974 -0.887 -0.630 1.00 0.00 C ATOM 700 C LEU A 41 -10.028 -0.026 0.206 1.00 0.00 C ATOM 701 O LEU A 41 -10.135 1.204 0.220 1.00 0.00 O ATOM 702 CB LEU A 41 -11.861 -1.731 0.288 1.00 0.00 C ATOM 703 CG LEU A 41 -12.591 -0.949 1.382 1.00 0.00 C ATOM 704 CD1 LEU A 41 -13.908 -0.401 0.856 1.00 0.00 C ATOM 705 CD2 LEU A 41 -12.824 -1.828 2.600 1.00 0.00 C ATOM 0 H LEU A 41 -10.482 -2.734 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.604 -0.228 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.601 -2.249 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.245 -2.497 0.760 1.00 0.00 H new ATOM 0 HG LEU A 41 -11.965 -0.108 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.414 0.152 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.715 0.264 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.541 -1.226 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.344 -1.255 3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.429 -2.689 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.866 -2.171 2.990 1.00 0.00 H new ATOM 717 N GLN A 42 -9.072 -0.671 0.866 1.00 0.00 N ATOM 718 CA GLN A 42 -8.103 0.050 1.686 1.00 0.00 C ATOM 719 C GLN A 42 -7.186 0.907 0.816 1.00 0.00 C ATOM 720 O GLN A 42 -7.009 2.099 1.063 1.00 0.00 O ATOM 721 CB GLN A 42 -7.271 -0.930 2.515 1.00 0.00 C ATOM 722 CG GLN A 42 -7.438 -0.752 4.013 1.00 0.00 C ATOM 723 CD GLN A 42 -6.118 -0.791 4.757 1.00 0.00 C ATOM 724 OE1 GLN A 42 -5.339 -1.733 4.613 1.00 0.00 O ATOM 725 NE2 GLN A 42 -5.859 0.236 5.559 1.00 0.00 N ATOM 0 H GLN A 42 -8.947 -1.683 0.850 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.653 0.706 2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.549 -1.949 2.245 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.219 -0.808 2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.933 0.199 4.209 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.091 -1.536 4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.533 0.996 5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.986 0.265 6.085 1.00 0.00 H new ATOM 734 N LEU A 43 -6.626 0.288 -0.216 1.00 0.00 N ATOM 735 CA LEU A 43 -5.725 0.965 -1.138 1.00 0.00 C ATOM 736 C LEU A 43 -6.365 2.223 -1.710 1.00 0.00 C ATOM 737 O LEU A 43 -5.771 3.301 -1.680 1.00 0.00 O ATOM 738 CB LEU A 43 -5.343 0.019 -2.279 1.00 0.00 C ATOM 739 CG LEU A 43 -3.891 0.104 -2.738 1.00 0.00 C ATOM 740 CD1 LEU A 43 -3.632 1.440 -3.419 1.00 0.00 C ATOM 741 CD2 LEU A 43 -2.951 -0.108 -1.558 1.00 0.00 C ATOM 0 H LEU A 43 -6.784 -0.695 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.831 1.256 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.548 -1.004 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.989 0.226 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.700 -0.686 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.592 1.488 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.286 1.540 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.832 2.250 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.918 -0.045 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.132 0.660 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.130 -1.091 -1.123 1.00 0.00 H new ATOM 753 N ILE A 44 -7.577 2.080 -2.237 1.00 0.00 N ATOM 754 CA ILE A 44 -8.284 3.211 -2.823 1.00 0.00 C ATOM 755 C ILE A 44 -8.470 4.324 -1.796 1.00 0.00 C ATOM 756 O ILE A 44 -8.421 5.506 -2.132 1.00 0.00 O ATOM 757 CB ILE A 44 -9.655 2.795 -3.405 1.00 0.00 C ATOM 758 CG1 ILE A 44 -10.207 3.902 -4.303 1.00 0.00 C ATOM 759 CG2 ILE A 44 -10.653 2.462 -2.302 1.00 0.00 C ATOM 760 CD1 ILE A 44 -11.014 3.387 -5.474 1.00 0.00 C ATOM 0 H ILE A 44 -8.087 1.197 -2.270 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.670 3.582 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.505 1.895 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.832 4.565 -3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.377 4.500 -4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.605 2.174 -2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.269 1.638 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.799 3.336 -1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.373 4.228 -6.066 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.387 2.748 -6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.864 2.813 -5.106 1.00 0.00 H new ATOM 772 N GLN A 45 -8.650 3.936 -0.537 1.00 0.00 N ATOM 773 CA GLN A 45 -8.851 4.903 0.534 1.00 0.00 C ATOM 774 C GLN A 45 -7.593 5.737 0.789 1.00 0.00 C ATOM 775 O GLN A 45 -7.663 6.962 0.879 1.00 0.00 O ATOM 776 CB GLN A 45 -9.268 4.187 1.819 1.00 0.00 C ATOM 777 CG GLN A 45 -10.337 4.927 2.607 1.00 0.00 C ATOM 778 CD GLN A 45 -10.605 4.301 3.961 1.00 0.00 C ATOM 779 OE1 GLN A 45 -10.532 4.969 4.992 1.00 0.00 O ATOM 780 NE2 GLN A 45 -10.919 3.011 3.965 1.00 0.00 N ATOM 0 H GLN A 45 -8.661 2.962 -0.235 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.644 5.581 0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.636 3.192 1.568 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.390 4.052 2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.029 5.963 2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.261 4.944 2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.968 2.495 3.086 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.111 2.536 4.847 1.00 0.00 H new ATOM 789 N LEU A 46 -6.451 5.068 0.944 1.00 0.00 N ATOM 790 CA LEU A 46 -5.199 5.761 1.249 1.00 0.00 C ATOM 791 C LEU A 46 -4.675 6.567 0.062 1.00 0.00 C ATOM 792 O LEU A 46 -4.408 7.761 0.185 1.00 0.00 O ATOM 793 CB LEU A 46 -4.127 4.761 1.696 1.00 0.00 C ATOM 794 CG LEU A 46 -4.647 3.514 2.418 1.00 0.00 C ATOM 795 CD1 LEU A 46 -3.506 2.799 3.127 1.00 0.00 C ATOM 796 CD2 LEU A 46 -5.748 3.875 3.406 1.00 0.00 C ATOM 0 H LEU A 46 -6.366 4.055 0.864 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.417 6.459 2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.564 4.443 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.427 5.275 2.355 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.071 2.841 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.891 1.915 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.755 2.499 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.054 3.470 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.100 2.972 3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.357 4.571 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.577 4.341 2.873 1.00 0.00 H new ATOM 808 N ALA A 47 -4.523 5.914 -1.085 1.00 0.00 N ATOM 809 CA ALA A 47 -3.969 6.571 -2.264 1.00 0.00 C ATOM 810 C ALA A 47 -4.784 7.796 -2.674 1.00 0.00 C ATOM 811 O ALA A 47 -4.228 8.871 -2.896 1.00 0.00 O ATOM 812 CB ALA A 47 -3.854 5.587 -3.416 1.00 0.00 C ATOM 0 H ALA A 47 -4.774 4.935 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.971 6.924 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.439 6.094 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.199 4.765 -3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.842 5.196 -3.660 1.00 0.00 H new ATOM 818 N GLN A 48 -6.097 7.632 -2.779 1.00 0.00 N ATOM 819 CA GLN A 48 -6.967 8.734 -3.172 1.00 0.00 C ATOM 820 C GLN A 48 -6.811 9.924 -2.232 1.00 0.00 C ATOM 821 O GLN A 48 -7.101 11.062 -2.603 1.00 0.00 O ATOM 822 CB GLN A 48 -8.424 8.277 -3.190 1.00 0.00 C ATOM 823 CG GLN A 48 -8.719 7.253 -4.270 1.00 0.00 C ATOM 824 CD GLN A 48 -10.170 6.816 -4.274 1.00 0.00 C ATOM 825 OE1 GLN A 48 -10.808 6.732 -3.224 1.00 0.00 O ATOM 826 NE2 GLN A 48 -10.702 6.538 -5.459 1.00 0.00 N ATOM 0 H GLN A 48 -6.581 6.752 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.675 9.049 -4.174 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.676 7.853 -2.218 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.068 9.144 -3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.467 7.673 -5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.081 6.382 -4.124 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.137 6.621 -6.304 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.676 6.242 -5.524 1.00 0.00 H new ATOM 835 N MET A 49 -6.356 9.657 -1.014 1.00 0.00 N ATOM 836 CA MET A 49 -6.168 10.709 -0.021 1.00 0.00 C ATOM 837 C MET A 49 -4.888 11.494 -0.291 1.00 0.00 C ATOM 838 O MET A 49 -4.082 11.114 -1.140 1.00 0.00 O ATOM 839 CB MET A 49 -6.122 10.108 1.384 1.00 0.00 C ATOM 840 CG MET A 49 -7.492 9.962 2.027 1.00 0.00 C ATOM 841 SD MET A 49 -7.397 9.539 3.777 1.00 0.00 S ATOM 842 CE MET A 49 -6.679 11.036 4.451 1.00 0.00 C ATOM 0 H MET A 49 -6.110 8.722 -0.690 1.00 0.00 H new ATOM 0 HA MET A 49 -7.013 11.394 -0.091 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.646 9.129 1.336 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.497 10.736 2.019 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.044 10.895 1.912 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.056 9.191 1.501 1.00 0.00 H new ATOM 0 HE1 MET A 49 -6.689 10.986 5.540 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.651 11.136 4.101 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.260 11.898 4.122 1.00 0.00 H new ATOM 852 N GLY A 50 -4.710 12.592 0.438 1.00 0.00 N ATOM 853 CA GLY A 50 -3.529 13.416 0.263 1.00 0.00 C ATOM 854 C GLY A 50 -3.204 14.238 1.496 1.00 0.00 C ATOM 855 O GLY A 50 -3.358 15.460 1.494 1.00 0.00 O ATOM 0 H GLY A 50 -5.363 12.925 1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.678 12.779 0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.679 14.084 -0.585 1.00 0.00 H new ATOM 859 N ARG A 51 -2.751 13.568 2.550 1.00 0.00 N ATOM 860 CA ARG A 51 -2.399 14.243 3.793 1.00 0.00 C ATOM 861 C ARG A 51 -1.623 13.312 4.716 1.00 0.00 C ATOM 862 O ARG A 51 -0.450 13.547 5.009 1.00 0.00 O ATOM 863 CB ARG A 51 -3.659 14.746 4.500 1.00 0.00 C ATOM 864 CG ARG A 51 -3.385 15.816 5.543 1.00 0.00 C ATOM 865 CD ARG A 51 -4.366 16.972 5.428 1.00 0.00 C ATOM 866 NE ARG A 51 -5.715 16.584 5.827 1.00 0.00 N ATOM 867 CZ ARG A 51 -6.808 17.254 5.477 1.00 0.00 C ATOM 868 NH1 ARG A 51 -6.709 18.341 4.724 1.00 0.00 N ATOM 869 NH2 ARG A 51 -8.001 16.838 5.879 1.00 0.00 N ATOM 0 H ARG A 51 -2.619 12.557 2.568 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.764 15.094 3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.349 15.144 3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.158 13.903 4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.451 15.379 6.540 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.367 16.188 5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.027 17.799 6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.382 17.334 4.400 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.825 15.752 6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.793 18.664 4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.549 18.854 4.456 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.081 16.002 6.458 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.839 17.354 5.609 1.00 0.00 H new ATOM 883 N VAL A 52 -2.282 12.251 5.169 1.00 0.00 N ATOM 884 CA VAL A 52 -1.654 11.280 6.055 1.00 0.00 C ATOM 885 C VAL A 52 -2.135 9.867 5.748 1.00 0.00 C ATOM 886 O VAL A 52 -2.176 9.008 6.631 1.00 0.00 O ATOM 887 CB VAL A 52 -1.939 11.596 7.534 1.00 0.00 C ATOM 888 CG1 VAL A 52 -1.076 10.732 8.440 1.00 0.00 C ATOM 889 CG2 VAL A 52 -1.712 13.073 7.819 1.00 0.00 C ATOM 0 H VAL A 52 -3.253 12.042 4.936 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.580 11.344 5.881 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.985 11.367 7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.291 10.969 9.482 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.294 9.680 8.255 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.024 10.926 8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.919 13.277 8.870 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.677 13.332 7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.378 13.670 7.196 1.00 0.00 H new ATOM 899 N ARG A 53 -2.502 9.632 4.492 1.00 0.00 N ATOM 900 CA ARG A 53 -2.983 8.322 4.070 1.00 0.00 C ATOM 901 C ARG A 53 -2.379 7.929 2.727 1.00 0.00 C ATOM 902 O ARG A 53 -2.691 8.523 1.697 1.00 0.00 O ATOM 903 CB ARG A 53 -4.510 8.322 3.975 1.00 0.00 C ATOM 904 CG ARG A 53 -5.159 7.122 4.644 1.00 0.00 C ATOM 905 CD ARG A 53 -5.024 7.186 6.157 1.00 0.00 C ATOM 906 NE ARG A 53 -6.149 7.876 6.780 1.00 0.00 N ATOM 907 CZ ARG A 53 -6.103 8.408 7.997 1.00 0.00 C ATOM 908 NH1 ARG A 53 -4.991 8.328 8.716 1.00 0.00 N ATOM 909 NH2 ARG A 53 -7.168 9.020 8.496 1.00 0.00 N ATOM 0 H ARG A 53 -2.475 10.331 3.750 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.673 7.591 4.816 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.894 9.234 4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.801 8.344 2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.214 7.080 4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.699 6.205 4.275 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.953 6.175 6.557 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.097 7.697 6.416 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.018 7.954 6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.170 7.858 8.335 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.957 8.737 9.650 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.024 9.083 7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.131 9.428 9.430 1.00 0.00 H new ATOM 923 N SER A 54 -1.494 6.941 2.753 1.00 0.00 N ATOM 924 CA SER A 54 -0.843 6.459 1.540 1.00 0.00 C ATOM 925 C SER A 54 -1.130 4.976 1.328 1.00 0.00 C ATOM 926 O SER A 54 -1.334 4.235 2.290 1.00 0.00 O ATOM 927 CB SER A 54 0.664 6.695 1.618 1.00 0.00 C ATOM 928 OG SER A 54 1.115 6.624 2.958 1.00 0.00 O ATOM 0 H SER A 54 -1.209 6.456 3.604 1.00 0.00 H new ATOM 0 HA SER A 54 -1.244 7.014 0.692 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.185 5.952 1.014 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.906 7.672 1.199 1.00 0.00 H new ATOM 0 HG SER A 54 0.773 7.393 3.460 1.00 0.00 H new ATOM 934 N LYS A 55 -1.138 4.542 0.071 1.00 0.00 N ATOM 935 CA LYS A 55 -1.408 3.150 -0.245 1.00 0.00 C ATOM 936 C LYS A 55 -0.400 2.229 0.431 1.00 0.00 C ATOM 937 O LYS A 55 0.771 2.573 0.597 1.00 0.00 O ATOM 938 CB LYS A 55 -1.392 2.926 -1.753 1.00 0.00 C ATOM 939 CG LYS A 55 -0.010 2.977 -2.366 1.00 0.00 C ATOM 940 CD LYS A 55 -0.028 2.478 -3.799 1.00 0.00 C ATOM 941 CE LYS A 55 0.386 1.018 -3.885 1.00 0.00 C ATOM 942 NZ LYS A 55 -0.639 0.189 -4.575 1.00 0.00 N ATOM 0 H LYS A 55 -0.961 5.135 -0.740 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.401 2.911 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.840 1.956 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.018 3.681 -2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.366 4.000 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.676 2.370 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.028 2.599 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.645 3.085 -4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.334 0.940 -4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.552 0.628 -2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.186 -0.651 -4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.363 -0.109 -3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.086 0.747 -5.330 1.00 0.00 H new ATOM 956 N ILE A 56 -0.882 1.065 0.841 1.00 0.00 N ATOM 957 CA ILE A 56 -0.068 0.084 1.546 1.00 0.00 C ATOM 958 C ILE A 56 1.066 -0.459 0.679 1.00 0.00 C ATOM 959 O ILE A 56 0.917 -0.622 -0.533 1.00 0.00 O ATOM 960 CB ILE A 56 -0.935 -1.093 2.029 1.00 0.00 C ATOM 961 CG1 ILE A 56 -2.101 -0.584 2.879 1.00 0.00 C ATOM 962 CG2 ILE A 56 -0.096 -2.084 2.812 1.00 0.00 C ATOM 963 CD1 ILE A 56 -3.450 -1.079 2.409 1.00 0.00 C ATOM 0 H ILE A 56 -1.848 0.773 0.695 1.00 0.00 H new ATOM 0 HA ILE A 56 0.371 0.601 2.400 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.343 -1.603 1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.949 -0.894 3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.099 0.506 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.725 -2.909 3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.701 -2.469 2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.340 -1.587 3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.230 -0.679 3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.623 -0.747 1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.471 -2.168 2.445 1.00 0.00 H new ATOM 975 N THR A 57 2.205 -0.728 1.316 1.00 0.00 N ATOM 976 CA THR A 57 3.382 -1.244 0.621 1.00 0.00 C ATOM 977 C THR A 57 3.217 -2.720 0.275 1.00 0.00 C ATOM 978 O THR A 57 2.388 -3.418 0.858 1.00 0.00 O ATOM 979 CB THR A 57 4.631 -1.064 1.487 1.00 0.00 C ATOM 980 OG1 THR A 57 4.691 -2.065 2.490 1.00 0.00 O ATOM 981 CG2 THR A 57 4.706 0.280 2.178 1.00 0.00 C ATOM 0 H THR A 57 2.337 -0.596 2.319 1.00 0.00 H new ATOM 0 HA THR A 57 3.493 -0.679 -0.305 1.00 0.00 H new ATOM 0 HB THR A 57 5.469 -1.139 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.496 -1.936 3.033 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.618 0.333 2.773 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.714 1.073 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.841 0.403 2.829 1.00 0.00 H new ATOM 989 N ASP A 58 4.018 -3.188 -0.679 1.00 0.00 N ATOM 990 CA ASP A 58 3.972 -4.582 -1.104 1.00 0.00 C ATOM 991 C ASP A 58 4.100 -5.518 0.093 1.00 0.00 C ATOM 992 O ASP A 58 3.480 -6.581 0.132 1.00 0.00 O ATOM 993 CB ASP A 58 5.093 -4.868 -2.104 1.00 0.00 C ATOM 994 CG ASP A 58 6.470 -4.641 -1.511 1.00 0.00 C ATOM 995 OD1 ASP A 58 6.582 -3.831 -0.567 1.00 0.00 O ATOM 996 OD2 ASP A 58 7.434 -5.272 -1.990 1.00 0.00 O ATOM 0 H ASP A 58 4.707 -2.620 -1.172 1.00 0.00 H new ATOM 0 HA ASP A 58 3.009 -4.758 -1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.014 -5.899 -2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.967 -4.230 -2.978 1.00 0.00 H new ATOM 1001 N GLU A 59 4.913 -5.118 1.064 1.00 0.00 N ATOM 1002 CA GLU A 59 5.129 -5.921 2.260 1.00 0.00 C ATOM 1003 C GLU A 59 3.825 -6.110 3.029 1.00 0.00 C ATOM 1004 O GLU A 59 3.416 -7.237 3.314 1.00 0.00 O ATOM 1005 CB GLU A 59 6.176 -5.246 3.153 1.00 0.00 C ATOM 1006 CG GLU A 59 6.299 -5.864 4.539 1.00 0.00 C ATOM 1007 CD GLU A 59 7.673 -6.449 4.797 1.00 0.00 C ATOM 1008 OE1 GLU A 59 8.615 -5.665 5.043 1.00 0.00 O ATOM 1009 OE2 GLU A 59 7.808 -7.689 4.755 1.00 0.00 O ATOM 0 H GLU A 59 5.434 -4.241 1.046 1.00 0.00 H new ATOM 0 HA GLU A 59 5.491 -6.904 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.146 -5.294 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.923 -4.191 3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.084 -5.105 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.548 -6.646 4.652 1.00 0.00 H new ATOM 1016 N GLN A 60 3.160 -5.002 3.341 1.00 0.00 N ATOM 1017 CA GLN A 60 1.892 -5.060 4.053 1.00 0.00 C ATOM 1018 C GLN A 60 0.799 -5.571 3.125 1.00 0.00 C ATOM 1019 O GLN A 60 -0.094 -6.309 3.543 1.00 0.00 O ATOM 1020 CB GLN A 60 1.525 -3.686 4.612 1.00 0.00 C ATOM 1021 CG GLN A 60 2.067 -3.438 6.011 1.00 0.00 C ATOM 1022 CD GLN A 60 1.292 -2.370 6.755 1.00 0.00 C ATOM 1023 OE1 GLN A 60 0.670 -2.639 7.783 1.00 0.00 O ATOM 1024 NE2 GLN A 60 1.327 -1.148 6.238 1.00 0.00 N ATOM 0 H GLN A 60 3.477 -4.060 3.113 1.00 0.00 H new ATOM 0 HA GLN A 60 1.991 -5.750 4.891 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.906 -2.916 3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.440 -3.587 4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.035 -4.368 6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.114 -3.142 5.944 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.856 -0.971 5.384 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.825 -0.386 6.695 1.00 0.00 H new ATOM 1033 N LEU A 61 0.901 -5.203 1.851 1.00 0.00 N ATOM 1034 CA LEU A 61 -0.037 -5.674 0.843 1.00 0.00 C ATOM 1035 C LEU A 61 0.021 -7.191 0.765 1.00 0.00 C ATOM 1036 O LEU A 61 -0.983 -7.858 0.509 1.00 0.00 O ATOM 1037 CB LEU A 61 0.303 -5.066 -0.521 1.00 0.00 C ATOM 1038 CG LEU A 61 -0.100 -3.605 -0.699 1.00 0.00 C ATOM 1039 CD1 LEU A 61 0.613 -3.001 -1.900 1.00 0.00 C ATOM 1040 CD2 LEU A 61 -1.603 -3.496 -0.857 1.00 0.00 C ATOM 0 H LEU A 61 1.625 -4.580 1.494 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.045 -5.365 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.378 -5.152 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.184 -5.658 -1.296 1.00 0.00 H new ATOM 0 HG LEU A 61 0.196 -3.047 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.315 -1.959 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.691 -3.056 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.344 -3.555 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.881 -2.450 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.919 -4.064 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.092 -3.896 0.031 1.00 0.00 H new ATOM 1052 N LYS A 62 1.207 -7.733 1.003 1.00 0.00 N ATOM 1053 CA LYS A 62 1.388 -9.172 1.007 1.00 0.00 C ATOM 1054 C LYS A 62 0.634 -9.774 2.183 1.00 0.00 C ATOM 1055 O LYS A 62 -0.128 -10.728 2.024 1.00 0.00 O ATOM 1056 CB LYS A 62 2.871 -9.524 1.088 1.00 0.00 C ATOM 1057 CG LYS A 62 3.134 -11.011 1.244 1.00 0.00 C ATOM 1058 CD LYS A 62 4.194 -11.281 2.298 1.00 0.00 C ATOM 1059 CE LYS A 62 5.095 -12.432 1.892 1.00 0.00 C ATOM 1060 NZ LYS A 62 6.475 -11.975 1.572 1.00 0.00 N ATOM 0 H LYS A 62 2.054 -7.198 1.195 1.00 0.00 H new ATOM 0 HA LYS A 62 0.992 -9.584 0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.370 -9.168 0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.316 -8.994 1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.209 -11.518 1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.455 -11.427 0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.794 -10.384 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.714 -11.510 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.134 -13.164 2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.670 -12.936 1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.057 -12.793 1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.442 -11.296 0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.891 -11.517 2.408 1.00 0.00 H new ATOM 1074 N GLU A 63 0.815 -9.179 3.361 1.00 0.00 N ATOM 1075 CA GLU A 63 0.087 -9.613 4.547 1.00 0.00 C ATOM 1076 C GLU A 63 -1.404 -9.589 4.262 1.00 0.00 C ATOM 1077 O GLU A 63 -2.153 -10.440 4.742 1.00 0.00 O ATOM 1078 CB GLU A 63 0.409 -8.723 5.742 1.00 0.00 C ATOM 1079 CG GLU A 63 1.893 -8.425 5.904 1.00 0.00 C ATOM 1080 CD GLU A 63 2.498 -9.086 7.129 1.00 0.00 C ATOM 1081 OE1 GLU A 63 1.759 -9.778 7.861 1.00 0.00 O ATOM 1082 OE2 GLU A 63 3.714 -8.912 7.355 1.00 0.00 O ATOM 0 H GLU A 63 1.455 -8.401 3.517 1.00 0.00 H new ATOM 0 HA GLU A 63 0.394 -10.629 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.132 -7.782 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.043 -9.203 6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.425 -8.763 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.037 -7.347 5.971 1.00 0.00 H new ATOM 1089 N LEU A 64 -1.830 -8.615 3.462 1.00 0.00 N ATOM 1090 CA LEU A 64 -3.223 -8.525 3.061 1.00 0.00 C ATOM 1091 C LEU A 64 -3.597 -9.781 2.293 1.00 0.00 C ATOM 1092 O LEU A 64 -4.694 -10.314 2.442 1.00 0.00 O ATOM 1093 CB LEU A 64 -3.457 -7.278 2.210 1.00 0.00 C ATOM 1094 CG LEU A 64 -3.999 -6.071 2.976 1.00 0.00 C ATOM 1095 CD1 LEU A 64 -5.303 -6.425 3.678 1.00 0.00 C ATOM 1096 CD2 LEU A 64 -2.970 -5.569 3.977 1.00 0.00 C ATOM 0 H LEU A 64 -1.231 -7.882 3.082 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.853 -8.443 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.517 -6.997 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.155 -7.527 1.411 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.201 -5.272 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.674 -5.554 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.042 -6.735 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.128 -7.240 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.373 -4.710 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.736 -6.362 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.063 -5.275 3.449 1.00 0.00 H new ATOM 1108 N LEU A 65 -2.636 -10.292 1.532 1.00 0.00 N ATOM 1109 CA LEU A 65 -2.821 -11.518 0.777 1.00 0.00 C ATOM 1110 C LEU A 65 -3.163 -12.681 1.698 1.00 0.00 C ATOM 1111 O LEU A 65 -4.132 -13.407 1.477 1.00 0.00 O ATOM 1112 CB LEU A 65 -1.535 -11.842 0.023 1.00 0.00 C ATOM 1113 CG LEU A 65 -1.725 -12.318 -1.410 1.00 0.00 C ATOM 1114 CD1 LEU A 65 -1.484 -11.167 -2.367 1.00 0.00 C ATOM 1115 CD2 LEU A 65 -0.790 -13.478 -1.710 1.00 0.00 C ATOM 0 H LEU A 65 -1.714 -9.869 1.424 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.646 -11.372 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.905 -10.952 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.993 -12.610 0.575 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.749 -12.669 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.621 -11.511 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.191 -10.365 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.467 -10.796 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.937 -13.808 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.243 -13.157 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.004 -14.303 -1.030 1.00 0.00 H new ATOM 1127 N LYS A 66 -2.345 -12.856 2.729 1.00 0.00 N ATOM 1128 CA LYS A 66 -2.526 -13.944 3.675 1.00 0.00 C ATOM 1129 C LYS A 66 -3.823 -13.790 4.458 1.00 0.00 C ATOM 1130 O LYS A 66 -4.637 -14.712 4.512 1.00 0.00 O ATOM 1131 CB LYS A 66 -1.339 -14.004 4.637 1.00 0.00 C ATOM 1132 CG LYS A 66 -0.689 -15.376 4.715 1.00 0.00 C ATOM 1133 CD LYS A 66 0.273 -15.601 3.560 1.00 0.00 C ATOM 1134 CE LYS A 66 1.703 -15.264 3.950 1.00 0.00 C ATOM 1135 NZ LYS A 66 2.412 -16.437 4.531 1.00 0.00 N ATOM 0 H LYS A 66 -1.547 -12.254 2.929 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.582 -14.874 3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.592 -13.274 4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.673 -13.712 5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.154 -15.474 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.460 -16.147 4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.219 -16.641 3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.027 -14.988 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.245 -14.911 3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.699 -14.448 4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.384 -16.165 4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.910 -16.759 5.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.438 -17.207 3.833 1.00 0.00 H new ATOM 1149 N ARG A 67 -4.025 -12.618 5.055 1.00 0.00 N ATOM 1150 CA ARG A 67 -5.220 -12.386 5.858 1.00 0.00 C ATOM 1151 C ARG A 67 -6.494 -12.533 5.028 1.00 0.00 C ATOM 1152 O ARG A 67 -7.455 -13.164 5.469 1.00 0.00 O ATOM 1153 CB ARG A 67 -5.189 -11.033 6.548 1.00 0.00 C ATOM 1154 CG ARG A 67 -4.791 -9.887 5.657 1.00 0.00 C ATOM 1155 CD ARG A 67 -3.813 -8.987 6.381 1.00 0.00 C ATOM 1156 NE ARG A 67 -4.477 -7.846 7.004 1.00 0.00 N ATOM 1157 CZ ARG A 67 -3.844 -6.740 7.378 1.00 0.00 C ATOM 1158 NH1 ARG A 67 -2.535 -6.629 7.197 1.00 0.00 N ATOM 1159 NH2 ARG A 67 -4.519 -5.745 7.936 1.00 0.00 N ATOM 0 H ARG A 67 -3.386 -11.825 4.999 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.227 -13.154 6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.176 -10.828 6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.495 -11.083 7.387 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.339 -10.267 4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.674 -9.319 5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.288 -9.562 7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.061 -8.629 5.678 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.483 -7.901 7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.013 -7.394 6.770 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.051 -5.779 7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.526 -5.828 8.079 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.032 -4.896 8.223 1.00 0.00 H new ATOM 1173 N VAL A 68 -6.503 -11.965 3.822 1.00 0.00 N ATOM 1174 CA VAL A 68 -7.681 -12.054 2.961 1.00 0.00 C ATOM 1175 C VAL A 68 -8.077 -13.518 2.747 1.00 0.00 C ATOM 1176 O VAL A 68 -9.250 -13.878 2.853 1.00 0.00 O ATOM 1177 CB VAL A 68 -7.479 -11.321 1.597 1.00 0.00 C ATOM 1178 CG1 VAL A 68 -7.005 -12.253 0.480 1.00 0.00 C ATOM 1179 CG2 VAL A 68 -8.764 -10.612 1.197 1.00 0.00 C ATOM 0 H VAL A 68 -5.720 -11.446 3.424 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.496 -11.541 3.472 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.685 -10.589 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.883 -11.684 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.051 -12.700 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.743 -13.040 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.617 -10.102 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.567 -11.343 1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.030 -9.882 1.962 1.00 0.00 H new ATOM 1189 N ALA A 69 -7.087 -14.355 2.450 1.00 0.00 N ATOM 1190 CA ALA A 69 -7.327 -15.775 2.225 1.00 0.00 C ATOM 1191 C ALA A 69 -7.479 -16.521 3.547 1.00 0.00 C ATOM 1192 O ALA A 69 -6.767 -16.245 4.513 1.00 0.00 O ATOM 1193 CB ALA A 69 -6.199 -16.379 1.402 1.00 0.00 C ATOM 0 H ALA A 69 -6.111 -14.073 2.360 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.260 -15.877 1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.393 -17.440 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.140 -15.872 0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.255 -16.259 1.934 1.00 0.00 H new ATOM 1199 N GLY A 70 -8.413 -17.467 3.583 1.00 0.00 N ATOM 1200 CA GLY A 70 -8.642 -18.238 4.791 1.00 0.00 C ATOM 1201 C GLY A 70 -8.349 -19.714 4.602 1.00 0.00 C ATOM 1202 O GLY A 70 -7.677 -20.332 5.428 1.00 0.00 O ATOM 0 H GLY A 70 -9.015 -17.713 2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.016 -17.846 5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.678 -18.114 5.106 1.00 0.00 H new ATOM 1206 N LYS A 71 -8.856 -20.280 3.512 1.00 0.00 N ATOM 1207 CA LYS A 71 -8.646 -21.693 3.217 1.00 0.00 C ATOM 1208 C LYS A 71 -7.533 -21.878 2.192 1.00 0.00 C ATOM 1209 O LYS A 71 -7.063 -20.912 1.590 1.00 0.00 O ATOM 1210 CB LYS A 71 -9.939 -22.325 2.700 1.00 0.00 C ATOM 1211 CG LYS A 71 -11.136 -22.100 3.610 1.00 0.00 C ATOM 1212 CD LYS A 71 -11.013 -22.893 4.901 1.00 0.00 C ATOM 1213 CE LYS A 71 -12.059 -22.466 5.917 1.00 0.00 C ATOM 1214 NZ LYS A 71 -12.355 -23.547 6.897 1.00 0.00 N ATOM 0 H LYS A 71 -9.415 -19.783 2.819 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.350 -22.189 4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.162 -21.919 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.785 -23.397 2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.224 -21.038 3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.049 -22.390 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.123 -23.956 4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.017 -22.754 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.709 -21.581 6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.976 -22.185 5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.073 -23.216 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.713 -24.384 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.486 -23.798 7.410 1.00 0.00 H new ATOM 1228 N LYS A 72 -7.116 -23.125 1.997 1.00 0.00 N ATOM 1229 CA LYS A 72 -6.060 -23.437 1.042 1.00 0.00 C ATOM 1230 C LYS A 72 -6.246 -24.834 0.462 1.00 0.00 C ATOM 1231 O LYS A 72 -7.283 -25.465 0.761 1.00 0.00 O ATOM 1232 CB LYS A 72 -4.691 -23.332 1.716 1.00 0.00 C ATOM 1233 CG LYS A 72 -4.260 -21.901 1.999 1.00 0.00 C ATOM 1234 CD LYS A 72 -2.748 -21.783 2.096 1.00 0.00 C ATOM 1235 CE LYS A 72 -2.186 -20.909 0.986 1.00 0.00 C ATOM 1236 NZ LYS A 72 -0.807 -20.437 1.295 1.00 0.00 N ATOM 0 H LYS A 72 -7.494 -23.935 2.488 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.115 -22.715 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.713 -23.888 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.945 -23.808 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.627 -21.246 1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.713 -21.561 2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.476 -21.363 3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.300 -22.775 2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.177 -21.470 0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.839 -20.049 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.460 -19.844 0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.819 -19.880 2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.178 -21.257 1.414 1.00 0.00 H new TER 1250 LYS A 72