USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 476 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 9 CYS SG : rot -15:sc= 0.344 USER MOD Set 1.2: A 62 GLN : amide:sc= 0.119 K(o=0.46,f=-1.8!) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 19 ASN : amide:sc= -2.89 K(o=-2.9,f=-5.9!) USER MOD Single : A 1 GLY N :NH3+ -157:sc= -0.328 (180deg=-0.584) USER MOD Single : A 3 MET CE :methyl 156:sc= -0.168 (180deg=-0.723) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 161:sc= 0.151 USER MOD Single : A 15 TYR OH : rot 30:sc= -0.254 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.509 USER MOD Single : A 32 HIS : no HD1:sc= -0.58 X(o=-0.58,f=-0.92) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0195 USER MOD Single : A 36 LYS NZ :NH3+ 134:sc=0.000356 (180deg=-0.0222) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.812 K(o=-0.81,f=-0.067) USER MOD Single : A 51 LYS NZ :NH3+ -126:sc= 0.24 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 64 SER OG : rot 40:sc= 0.259 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.882 -2.582 0.580 1.00 0.00 N ATOM 2 CA GLY A 1 -11.169 -3.331 0.625 1.00 0.00 C ATOM 3 C GLY A 1 -11.850 -3.245 1.979 1.00 0.00 C ATOM 4 O GLY A 1 -12.010 -2.156 2.527 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.656 -2.338 -0.406 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.968 -1.711 1.141 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.122 -3.174 0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.840 -2.939 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.984 -4.377 0.382 1.00 0.00 H new ATOM 10 N ALA A 2 -12.250 -4.403 2.512 1.00 0.00 N ATOM 11 CA ALA A 2 -12.927 -4.486 3.808 1.00 0.00 C ATOM 12 C ALA A 2 -14.270 -3.746 3.786 1.00 0.00 C ATOM 13 O ALA A 2 -15.316 -4.386 3.670 1.00 0.00 O ATOM 14 CB ALA A 2 -12.019 -3.974 4.924 1.00 0.00 C ATOM 0 H ALA A 2 -12.114 -5.306 2.058 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.144 -5.535 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.541 -4.044 5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.112 -4.578 4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.755 -2.934 4.730 1.00 0.00 H new ATOM 20 N MET A 3 -14.259 -2.412 3.896 1.00 0.00 N ATOM 21 CA MET A 3 -15.508 -1.647 3.877 1.00 0.00 C ATOM 22 C MET A 3 -15.595 -0.743 2.649 1.00 0.00 C ATOM 23 O MET A 3 -14.860 0.243 2.543 1.00 0.00 O ATOM 24 CB MET A 3 -15.662 -0.810 5.152 1.00 0.00 C ATOM 25 CG MET A 3 -15.815 -1.638 6.419 1.00 0.00 C ATOM 26 SD MET A 3 -16.309 -0.646 7.842 1.00 0.00 S ATOM 27 CE MET A 3 -17.955 -0.135 7.348 1.00 0.00 C ATOM 0 H MET A 3 -13.414 -1.849 3.997 1.00 0.00 H new ATOM 0 HA MET A 3 -16.323 -2.369 3.829 1.00 0.00 H new ATOM 0 HB2 MET A 3 -14.792 -0.162 5.256 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.532 -0.162 5.046 1.00 0.00 H new ATOM 0 HG2 MET A 3 -16.556 -2.419 6.251 1.00 0.00 H new ATOM 0 HG3 MET A 3 -14.871 -2.137 6.639 1.00 0.00 H new ATOM 0 HE1 MET A 3 -18.544 0.102 8.234 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.886 0.747 6.711 1.00 0.00 H new ATOM 0 HE3 MET A 3 -18.437 -0.943 6.798 1.00 0.00 H new ATOM 37 N GLY A 4 -16.492 -1.087 1.713 1.00 0.00 N ATOM 38 CA GLY A 4 -16.670 -0.274 0.522 1.00 0.00 C ATOM 39 C GLY A 4 -16.024 -0.884 -0.710 1.00 0.00 C ATOM 40 O GLY A 4 -15.428 -1.962 -0.644 1.00 0.00 O ATOM 0 H GLY A 4 -17.092 -1.910 1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.735 -0.137 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.247 0.715 0.696 1.00 0.00 H new ATOM 44 N ALA A 5 -16.146 -0.180 -1.840 1.00 0.00 N ATOM 45 CA ALA A 5 -15.639 -0.673 -3.122 1.00 0.00 C ATOM 46 C ALA A 5 -14.284 -0.084 -3.497 1.00 0.00 C ATOM 47 O ALA A 5 -13.472 -0.764 -4.127 1.00 0.00 O ATOM 48 CB ALA A 5 -16.650 -0.382 -4.222 1.00 0.00 C ATOM 0 H ALA A 5 -16.593 0.735 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 5 -15.496 -1.748 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -16.268 -0.751 -5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -17.592 -0.880 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -16.815 0.693 -4.289 1.00 0.00 H new ATOM 54 N LYS A 6 -14.025 1.166 -3.112 1.00 0.00 N ATOM 55 CA LYS A 6 -12.763 1.815 -3.452 1.00 0.00 C ATOM 56 C LYS A 6 -12.046 2.315 -2.205 1.00 0.00 C ATOM 57 O LYS A 6 -12.628 3.069 -1.422 1.00 0.00 O ATOM 58 CB LYS A 6 -13.006 2.976 -4.424 1.00 0.00 C ATOM 59 CG LYS A 6 -13.573 2.538 -5.767 1.00 0.00 C ATOM 60 CD LYS A 6 -12.636 1.578 -6.486 1.00 0.00 C ATOM 61 CE LYS A 6 -13.291 0.964 -7.715 1.00 0.00 C ATOM 62 NZ LYS A 6 -13.540 1.973 -8.783 1.00 0.00 N ATOM 0 H LYS A 6 -14.667 1.743 -2.569 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.125 1.075 -3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.692 3.687 -3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.066 3.503 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.540 2.058 -5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.747 3.414 -6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.731 2.108 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.332 0.786 -5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.653 0.172 -8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.235 0.500 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.987 1.510 -9.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.170 2.716 -8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.637 2.398 -9.077 1.00 0.00 H new ATOM 76 N GLU A 7 -10.791 1.905 -2.006 1.00 0.00 N ATOM 77 CA GLU A 7 -10.048 2.360 -0.836 1.00 0.00 C ATOM 78 C GLU A 7 -8.631 2.779 -1.211 1.00 0.00 C ATOM 79 O GLU A 7 -7.907 2.029 -1.868 1.00 0.00 O ATOM 80 CB GLU A 7 -10.003 1.273 0.243 1.00 0.00 C ATOM 81 CG GLU A 7 -11.343 1.021 0.921 1.00 0.00 C ATOM 82 CD GLU A 7 -11.211 0.813 2.420 1.00 0.00 C ATOM 83 OE1 GLU A 7 -10.329 0.034 2.840 1.00 0.00 O ATOM 84 OE2 GLU A 7 -11.992 1.429 3.175 1.00 0.00 O ATOM 0 H GLU A 7 -10.281 1.275 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.571 3.229 -0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.654 0.343 -0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.271 1.556 1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.006 1.866 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.811 0.143 0.476 1.00 0.00 H new ATOM 91 N TYR A 8 -8.245 3.985 -0.806 1.00 0.00 N ATOM 92 CA TYR A 8 -6.905 4.493 -1.087 1.00 0.00 C ATOM 93 C TYR A 8 -6.220 4.940 0.199 1.00 0.00 C ATOM 94 O TYR A 8 -6.890 5.265 1.182 1.00 0.00 O ATOM 95 CB TYR A 8 -6.963 5.643 -2.094 1.00 0.00 C ATOM 96 CG TYR A 8 -7.403 5.207 -3.475 1.00 0.00 C ATOM 97 CD1 TYR A 8 -6.490 4.679 -4.379 1.00 0.00 C ATOM 98 CD2 TYR A 8 -8.731 5.314 -3.871 1.00 0.00 C ATOM 99 CE1 TYR A 8 -6.887 4.271 -5.638 1.00 0.00 C ATOM 100 CE2 TYR A 8 -9.135 4.907 -5.129 1.00 0.00 C ATOM 101 CZ TYR A 8 -8.210 4.387 -6.009 1.00 0.00 C ATOM 102 OH TYR A 8 -8.610 3.981 -7.262 1.00 0.00 O ATOM 0 H TYR A 8 -8.839 4.628 -0.283 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.319 3.685 -1.525 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.649 6.405 -1.725 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.979 6.106 -2.163 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.453 4.586 -4.093 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.459 5.722 -3.185 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.164 3.863 -6.329 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.171 4.996 -5.421 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.573 4.130 -7.362 1.00 0.00 H new ATOM 112 N CYS A 9 -4.890 4.962 0.195 1.00 0.00 N ATOM 113 CA CYS A 9 -4.140 5.370 1.377 1.00 0.00 C ATOM 114 C CYS A 9 -2.992 6.309 1.014 1.00 0.00 C ATOM 115 O CYS A 9 -2.377 6.171 -0.047 1.00 0.00 O ATOM 116 CB CYS A 9 -3.596 4.143 2.114 1.00 0.00 C ATOM 117 SG CYS A 9 -4.838 2.883 2.480 1.00 0.00 S ATOM 0 H CYS A 9 -4.314 4.704 -0.607 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.825 5.909 2.032 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.806 3.693 1.513 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.139 4.468 3.049 1.00 0.00 H new ATOM 0 HG CYS A 9 -6.026 3.389 2.332 1.00 0.00 H new ATOM 123 N ARG A 10 -2.702 7.261 1.902 1.00 0.00 N ATOM 124 CA ARG A 10 -1.618 8.214 1.685 1.00 0.00 C ATOM 125 C ARG A 10 -0.391 7.810 2.496 1.00 0.00 C ATOM 126 O ARG A 10 -0.500 7.501 3.684 1.00 0.00 O ATOM 127 CB ARG A 10 -2.061 9.631 2.067 1.00 0.00 C ATOM 128 CG ARG A 10 -0.913 10.629 2.132 1.00 0.00 C ATOM 129 CD ARG A 10 -1.392 12.012 2.540 1.00 0.00 C ATOM 130 NE ARG A 10 -0.287 12.860 2.989 1.00 0.00 N ATOM 131 CZ ARG A 10 0.584 13.459 2.171 1.00 0.00 C ATOM 132 NH1 ARG A 10 0.487 13.312 0.851 1.00 0.00 N ATOM 133 NH2 ARG A 10 1.559 14.208 2.677 1.00 0.00 N ATOM 0 H ARG A 10 -3.205 7.391 2.780 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.359 8.207 0.626 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.796 9.981 1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.559 9.599 3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.166 10.278 2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.425 10.686 1.159 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.894 12.486 1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.128 11.921 3.339 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.174 13.003 3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.257 12.738 0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.157 13.774 0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.641 14.324 3.687 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.225 14.666 2.055 1.00 0.00 H new ATOM 147 N THR A 11 0.775 7.824 1.854 1.00 0.00 N ATOM 148 CA THR A 11 2.014 7.449 2.524 1.00 0.00 C ATOM 149 C THR A 11 2.516 8.570 3.432 1.00 0.00 C ATOM 150 O THR A 11 2.777 9.685 2.976 1.00 0.00 O ATOM 151 CB THR A 11 3.114 7.058 1.516 1.00 0.00 C ATOM 152 OG1 THR A 11 3.304 8.102 0.553 1.00 0.00 O ATOM 153 CG2 THR A 11 2.748 5.763 0.802 1.00 0.00 C ATOM 0 H THR A 11 0.886 8.090 0.876 1.00 0.00 H new ATOM 0 HA THR A 11 1.787 6.577 3.137 1.00 0.00 H new ATOM 0 HB THR A 11 4.043 6.909 2.067 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.174 7.990 0.116 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.535 5.502 0.095 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.638 4.963 1.534 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.808 5.896 0.266 1.00 0.00 H new ATOM 161 N LEU A 12 2.648 8.259 4.722 1.00 0.00 N ATOM 162 CA LEU A 12 3.111 9.233 5.713 1.00 0.00 C ATOM 163 C LEU A 12 4.641 9.306 5.756 1.00 0.00 C ATOM 164 O LEU A 12 5.198 10.281 6.265 1.00 0.00 O ATOM 165 CB LEU A 12 2.570 8.880 7.103 1.00 0.00 C ATOM 166 CG LEU A 12 1.056 8.661 7.180 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.651 8.237 8.585 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.306 9.920 6.767 1.00 0.00 C ATOM 0 H LEU A 12 2.440 7.337 5.107 1.00 0.00 H new ATOM 0 HA LEU A 12 2.731 10.210 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.069 7.976 7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.841 9.679 7.794 1.00 0.00 H new ATOM 0 HG LEU A 12 0.791 7.863 6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.428 8.086 8.623 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.157 7.307 8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.933 9.014 9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.767 9.741 6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.577 10.740 7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.571 10.182 5.743 1.00 0.00 H new ATOM 180 N PHE A 13 5.322 8.286 5.216 1.00 0.00 N ATOM 181 CA PHE A 13 6.785 8.248 5.217 1.00 0.00 C ATOM 182 C PHE A 13 7.305 7.385 4.067 1.00 0.00 C ATOM 183 O PHE A 13 6.580 6.534 3.546 1.00 0.00 O ATOM 184 CB PHE A 13 7.305 7.705 6.551 1.00 0.00 C ATOM 185 CG PHE A 13 7.171 8.677 7.691 1.00 0.00 C ATOM 186 CD1 PHE A 13 8.035 9.756 7.801 1.00 0.00 C ATOM 187 CD2 PHE A 13 6.180 8.518 8.647 1.00 0.00 C ATOM 188 CE1 PHE A 13 7.913 10.656 8.843 1.00 0.00 C ATOM 189 CE2 PHE A 13 6.054 9.415 9.691 1.00 0.00 C ATOM 190 CZ PHE A 13 6.921 10.485 9.789 1.00 0.00 C ATOM 0 H PHE A 13 4.881 7.479 4.774 1.00 0.00 H new ATOM 0 HA PHE A 13 7.150 9.266 5.082 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.763 6.792 6.798 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.354 7.433 6.438 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.812 9.895 7.064 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.498 7.683 8.575 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.593 11.492 8.917 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.278 9.279 10.430 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.824 11.187 10.604 1.00 0.00 H new ATOM 200 N PRO A 14 8.573 7.590 3.652 1.00 0.00 N ATOM 201 CA PRO A 14 9.175 6.823 2.556 1.00 0.00 C ATOM 202 C PRO A 14 9.428 5.372 2.958 1.00 0.00 C ATOM 203 O PRO A 14 9.685 5.074 4.127 1.00 0.00 O ATOM 204 CB PRO A 14 10.503 7.546 2.280 1.00 0.00 C ATOM 205 CG PRO A 14 10.436 8.827 3.049 1.00 0.00 C ATOM 206 CD PRO A 14 9.510 8.575 4.203 1.00 0.00 C ATOM 0 HA PRO A 14 8.524 6.778 1.683 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.351 6.941 2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.631 7.736 1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.425 9.122 3.401 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.065 9.638 2.422 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.041 8.187 5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.001 9.485 4.521 1.00 0.00 H new ATOM 214 N TYR A 15 9.351 4.477 1.978 1.00 0.00 N ATOM 215 CA TYR A 15 9.549 3.049 2.213 1.00 0.00 C ATOM 216 C TYR A 15 10.292 2.394 1.052 1.00 0.00 C ATOM 217 O TYR A 15 9.904 2.530 -0.108 1.00 0.00 O ATOM 218 CB TYR A 15 8.198 2.364 2.426 1.00 0.00 C ATOM 219 CG TYR A 15 8.310 0.950 2.945 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.437 0.700 4.305 1.00 0.00 C ATOM 221 CD2 TYR A 15 8.291 -0.134 2.076 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.542 -0.590 4.785 1.00 0.00 C ATOM 223 CE2 TYR A 15 8.394 -1.427 2.549 1.00 0.00 C ATOM 224 CZ TYR A 15 8.519 -1.651 3.904 1.00 0.00 C ATOM 225 OH TYR A 15 8.621 -2.939 4.379 1.00 0.00 O ATOM 0 H TYR A 15 9.152 4.717 1.007 1.00 0.00 H new ATOM 0 HA TYR A 15 10.158 2.934 3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.608 2.954 3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.653 2.353 1.482 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.454 1.528 4.998 1.00 0.00 H new ATOM 0 HD2 TYR A 15 8.194 0.038 1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.642 -0.768 5.846 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.377 -2.259 1.861 1.00 0.00 H new ATOM 0 HH TYR A 15 8.236 -2.987 5.279 1.00 0.00 H new ATOM 235 N THR A 16 11.358 1.664 1.384 1.00 0.00 N ATOM 236 CA THR A 16 12.165 0.972 0.385 1.00 0.00 C ATOM 237 C THR A 16 11.917 -0.531 0.467 1.00 0.00 C ATOM 238 O THR A 16 11.985 -1.116 1.550 1.00 0.00 O ATOM 239 CB THR A 16 13.672 1.244 0.585 1.00 0.00 C ATOM 240 OG1 THR A 16 13.922 2.655 0.581 1.00 0.00 O ATOM 241 CG2 THR A 16 14.497 0.578 -0.508 1.00 0.00 C ATOM 0 H THR A 16 11.682 1.538 2.343 1.00 0.00 H new ATOM 0 HA THR A 16 11.872 1.350 -0.594 1.00 0.00 H new ATOM 0 HB THR A 16 13.966 0.824 1.547 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.880 2.818 0.710 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.554 0.785 -0.343 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.331 -0.499 -0.484 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.198 0.970 -1.480 1.00 0.00 H new ATOM 249 N GLY A 17 11.626 -1.152 -0.673 1.00 0.00 N ATOM 250 CA GLY A 17 11.372 -2.581 -0.688 1.00 0.00 C ATOM 251 C GLY A 17 12.638 -3.409 -0.574 1.00 0.00 C ATOM 252 O GLY A 17 13.606 -3.176 -1.300 1.00 0.00 O ATOM 0 H GLY A 17 11.562 -0.693 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.703 -2.834 0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.855 -2.843 -1.611 1.00 0.00 H new ATOM 256 N THR A 18 12.631 -4.376 0.343 1.00 0.00 N ATOM 257 CA THR A 18 13.782 -5.254 0.545 1.00 0.00 C ATOM 258 C THR A 18 13.737 -6.440 -0.417 1.00 0.00 C ATOM 259 O THR A 18 14.768 -7.002 -0.788 1.00 0.00 O ATOM 260 CB THR A 18 13.845 -5.781 1.993 1.00 0.00 C ATOM 261 OG1 THR A 18 12.627 -6.460 2.328 1.00 0.00 O ATOM 262 CG2 THR A 18 14.080 -4.640 2.973 1.00 0.00 C ATOM 0 H THR A 18 11.841 -4.571 0.958 1.00 0.00 H new ATOM 0 HA THR A 18 14.674 -4.659 0.348 1.00 0.00 H new ATOM 0 HB THR A 18 14.678 -6.480 2.063 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.680 -6.791 3.249 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.121 -5.035 3.988 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.023 -4.146 2.737 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.265 -3.921 2.896 1.00 0.00 H new ATOM 270 N ASN A 19 12.512 -6.807 -0.811 1.00 0.00 N ATOM 271 CA ASN A 19 12.263 -7.897 -1.746 1.00 0.00 C ATOM 272 C ASN A 19 11.444 -7.373 -2.926 1.00 0.00 C ATOM 273 O ASN A 19 10.799 -6.327 -2.827 1.00 0.00 O ATOM 274 CB ASN A 19 11.525 -9.054 -1.055 1.00 0.00 C ATOM 275 CG ASN A 19 10.332 -8.600 -0.226 1.00 0.00 C ATOM 276 OD1 ASN A 19 10.453 -7.731 0.639 1.00 0.00 O ATOM 277 ND2 ASN A 19 9.171 -9.192 -0.483 1.00 0.00 N ATOM 0 H ASN A 19 11.662 -6.348 -0.484 1.00 0.00 H new ATOM 0 HA ASN A 19 13.218 -8.278 -2.107 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.185 -9.761 -1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.224 -9.588 -0.411 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.338 -8.931 0.044 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.113 -9.907 -1.208 1.00 0.00 H new ATOM 284 N GLU A 20 11.472 -8.102 -4.041 1.00 0.00 N ATOM 285 CA GLU A 20 10.743 -7.689 -5.244 1.00 0.00 C ATOM 286 C GLU A 20 9.224 -7.595 -5.014 1.00 0.00 C ATOM 287 O GLU A 20 8.509 -7.027 -5.842 1.00 0.00 O ATOM 288 CB GLU A 20 11.055 -8.635 -6.410 1.00 0.00 C ATOM 289 CG GLU A 20 10.678 -10.086 -6.132 1.00 0.00 C ATOM 290 CD GLU A 20 11.500 -11.072 -6.941 1.00 0.00 C ATOM 291 OE1 GLU A 20 12.588 -11.465 -6.468 1.00 0.00 O ATOM 292 OE2 GLU A 20 11.056 -11.455 -8.043 1.00 0.00 O ATOM 0 H GLU A 20 11.988 -8.977 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 20 11.086 -6.685 -5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.523 -8.293 -7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.120 -8.581 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.811 -10.294 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.621 -10.231 -6.356 1.00 0.00 H new ATOM 299 N ASP A 21 8.732 -8.140 -3.896 1.00 0.00 N ATOM 300 CA ASP A 21 7.300 -8.091 -3.586 1.00 0.00 C ATOM 301 C ASP A 21 6.952 -6.885 -2.708 1.00 0.00 C ATOM 302 O ASP A 21 5.791 -6.486 -2.638 1.00 0.00 O ATOM 303 CB ASP A 21 6.850 -9.377 -2.888 1.00 0.00 C ATOM 304 CG ASP A 21 7.265 -10.628 -3.637 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.391 -11.114 -3.402 1.00 0.00 O ATOM 306 OD2 ASP A 21 6.464 -11.121 -4.459 1.00 0.00 O ATOM 0 H ASP A 21 9.300 -8.617 -3.196 1.00 0.00 H new ATOM 0 HA ASP A 21 6.772 -7.991 -4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.270 -9.405 -1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.765 -9.366 -2.781 1.00 0.00 H new ATOM 311 N GLU A 22 7.958 -6.306 -2.042 1.00 0.00 N ATOM 312 CA GLU A 22 7.737 -5.157 -1.167 1.00 0.00 C ATOM 313 C GLU A 22 7.670 -3.860 -1.978 1.00 0.00 C ATOM 314 O GLU A 22 8.682 -3.192 -2.192 1.00 0.00 O ATOM 315 CB GLU A 22 8.844 -5.076 -0.112 1.00 0.00 C ATOM 316 CG GLU A 22 8.332 -4.802 1.293 1.00 0.00 C ATOM 317 CD GLU A 22 9.424 -4.915 2.341 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.338 -4.063 2.345 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.365 -5.857 3.160 1.00 0.00 O ATOM 0 H GLU A 22 8.928 -6.616 -2.094 1.00 0.00 H new ATOM 0 HA GLU A 22 6.781 -5.288 -0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.401 -6.013 -0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.545 -4.290 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.899 -3.802 1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.533 -5.504 1.529 1.00 0.00 H new ATOM 326 N LEU A 23 6.459 -3.530 -2.437 1.00 0.00 N ATOM 327 CA LEU A 23 6.211 -2.331 -3.245 1.00 0.00 C ATOM 328 C LEU A 23 7.002 -1.110 -2.757 1.00 0.00 C ATOM 329 O LEU A 23 6.671 -0.537 -1.718 1.00 0.00 O ATOM 330 CB LEU A 23 4.714 -2.008 -3.253 1.00 0.00 C ATOM 331 CG LEU A 23 4.191 -1.424 -4.571 1.00 0.00 C ATOM 332 CD1 LEU A 23 4.459 -2.378 -5.725 1.00 0.00 C ATOM 333 CD2 LEU A 23 2.705 -1.111 -4.469 1.00 0.00 C ATOM 0 H LEU A 23 5.623 -4.086 -2.259 1.00 0.00 H new ATOM 0 HA LEU A 23 6.554 -2.553 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.159 -2.919 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.504 -1.301 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 23 4.724 -0.493 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.080 -1.945 -6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.532 -2.547 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.957 -3.327 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.354 -0.698 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.155 -2.025 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.540 -0.385 -3.673 1.00 0.00 H new ATOM 345 N THR A 24 8.047 -0.714 -3.489 1.00 0.00 N ATOM 346 CA THR A 24 8.851 0.445 -3.085 1.00 0.00 C ATOM 347 C THR A 24 8.141 1.762 -3.433 1.00 0.00 C ATOM 348 O THR A 24 7.411 1.836 -4.424 1.00 0.00 O ATOM 349 CB THR A 24 10.245 0.416 -3.747 1.00 0.00 C ATOM 350 OG1 THR A 24 10.899 -0.824 -3.454 1.00 0.00 O ATOM 351 CG2 THR A 24 11.111 1.571 -3.264 1.00 0.00 C ATOM 0 H THR A 24 8.353 -1.168 -4.349 1.00 0.00 H new ATOM 0 HA THR A 24 8.975 0.388 -2.004 1.00 0.00 H new ATOM 0 HB THR A 24 10.106 0.516 -4.824 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.782 -0.836 -3.879 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.086 1.522 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.629 2.516 -3.513 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.239 1.503 -2.184 1.00 0.00 H new ATOM 359 N PHE A 25 8.364 2.799 -2.614 1.00 0.00 N ATOM 360 CA PHE A 25 7.743 4.110 -2.842 1.00 0.00 C ATOM 361 C PHE A 25 8.317 5.183 -1.905 1.00 0.00 C ATOM 362 O PHE A 25 9.060 4.874 -0.974 1.00 0.00 O ATOM 363 CB PHE A 25 6.222 4.016 -2.653 1.00 0.00 C ATOM 364 CG PHE A 25 5.800 3.534 -1.291 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.799 4.393 -0.206 1.00 0.00 C ATOM 366 CD2 PHE A 25 5.402 2.219 -1.102 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.410 3.953 1.045 1.00 0.00 C ATOM 368 CE2 PHE A 25 5.011 1.773 0.148 1.00 0.00 C ATOM 369 CZ PHE A 25 5.015 2.642 1.222 1.00 0.00 C ATOM 0 H PHE A 25 8.967 2.756 -1.792 1.00 0.00 H new ATOM 0 HA PHE A 25 7.967 4.405 -3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.783 4.998 -2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.814 3.343 -3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.106 5.420 -0.339 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.397 1.536 -1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.415 4.634 1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.703 0.747 0.284 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.710 2.296 2.199 1.00 0.00 H new ATOM 379 N ARG A 26 7.967 6.447 -2.166 1.00 0.00 N ATOM 380 CA ARG A 26 8.421 7.567 -1.336 1.00 0.00 C ATOM 381 C ARG A 26 7.241 8.141 -0.554 1.00 0.00 C ATOM 382 O ARG A 26 6.092 7.766 -0.801 1.00 0.00 O ATOM 383 CB ARG A 26 9.042 8.663 -2.207 1.00 0.00 C ATOM 384 CG ARG A 26 10.365 8.270 -2.840 1.00 0.00 C ATOM 385 CD ARG A 26 10.875 9.353 -3.778 1.00 0.00 C ATOM 386 NE ARG A 26 11.034 10.642 -3.100 1.00 0.00 N ATOM 387 CZ ARG A 26 10.903 11.829 -3.701 1.00 0.00 C ATOM 388 NH1 ARG A 26 10.612 11.905 -4.998 1.00 0.00 N ATOM 389 NH2 ARG A 26 11.064 12.947 -3.000 1.00 0.00 N ATOM 0 H ARG A 26 7.370 6.720 -2.947 1.00 0.00 H new ATOM 0 HA ARG A 26 9.176 7.201 -0.641 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.338 8.929 -2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.192 9.555 -1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.103 8.086 -2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.244 7.337 -3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.832 9.045 -4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.182 9.466 -4.611 1.00 0.00 H new ATOM 0 HE ARG A 26 11.259 10.633 -2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.487 11.052 -5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.514 12.816 -5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.287 12.898 -2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.965 13.854 -3.456 1.00 0.00 H new ATOM 403 N GLU A 27 7.514 9.050 0.388 1.00 0.00 N ATOM 404 CA GLU A 27 6.448 9.663 1.181 1.00 0.00 C ATOM 405 C GLU A 27 5.642 10.637 0.325 1.00 0.00 C ATOM 406 O GLU A 27 6.194 11.318 -0.542 1.00 0.00 O ATOM 407 CB GLU A 27 7.040 10.377 2.403 1.00 0.00 C ATOM 408 CG GLU A 27 6.006 10.922 3.380 1.00 0.00 C ATOM 409 CD GLU A 27 5.366 12.221 2.921 1.00 0.00 C ATOM 410 OE1 GLU A 27 6.108 13.145 2.522 1.00 0.00 O ATOM 411 OE2 GLU A 27 4.122 12.318 2.970 1.00 0.00 O ATOM 0 H GLU A 27 8.454 9.374 0.617 1.00 0.00 H new ATOM 0 HA GLU A 27 5.776 8.879 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.691 9.682 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.665 11.201 2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.227 10.174 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.481 11.082 4.348 1.00 0.00 H new ATOM 418 N GLY A 28 4.335 10.702 0.574 1.00 0.00 N ATOM 419 CA GLY A 28 3.475 11.574 -0.202 1.00 0.00 C ATOM 420 C GLY A 28 3.182 10.978 -1.564 1.00 0.00 C ATOM 421 O GLY A 28 3.590 11.524 -2.589 1.00 0.00 O ATOM 0 H GLY A 28 3.859 10.166 1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.541 11.740 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.951 12.547 -0.322 1.00 0.00 H new ATOM 425 N GLU A 29 2.465 9.856 -1.568 1.00 0.00 N ATOM 426 CA GLU A 29 2.116 9.139 -2.790 1.00 0.00 C ATOM 427 C GLU A 29 0.913 8.244 -2.514 1.00 0.00 C ATOM 428 O GLU A 29 0.937 7.450 -1.570 1.00 0.00 O ATOM 429 CB GLU A 29 3.294 8.278 -3.270 1.00 0.00 C ATOM 430 CG GLU A 29 4.272 9.009 -4.178 1.00 0.00 C ATOM 431 CD GLU A 29 3.645 9.436 -5.493 1.00 0.00 C ATOM 432 OE1 GLU A 29 3.655 8.626 -6.446 1.00 0.00 O ATOM 433 OE2 GLU A 29 3.145 10.578 -5.571 1.00 0.00 O ATOM 0 H GLU A 29 2.109 9.418 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 29 1.877 9.863 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.834 7.903 -2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.903 7.410 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.654 9.889 -3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.126 8.362 -4.381 1.00 0.00 H new ATOM 440 N ILE A 30 -0.135 8.365 -3.325 1.00 0.00 N ATOM 441 CA ILE A 30 -1.340 7.572 -3.109 1.00 0.00 C ATOM 442 C ILE A 30 -1.246 6.220 -3.801 1.00 0.00 C ATOM 443 O ILE A 30 -1.023 6.135 -5.010 1.00 0.00 O ATOM 444 CB ILE A 30 -2.609 8.304 -3.606 1.00 0.00 C ATOM 445 CG1 ILE A 30 -2.754 9.663 -2.912 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.848 7.446 -3.368 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.866 9.572 -1.404 1.00 0.00 C ATOM 0 H ILE A 30 -0.174 8.995 -4.126 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.419 7.422 -2.032 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.509 8.476 -4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.895 10.283 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.638 10.167 -3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.732 7.976 -3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.748 6.505 -3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.951 7.243 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.966 10.574 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.742 8.979 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.971 9.098 -1.001 1.00 0.00 H new ATOM 459 N ILE A 31 -1.420 5.165 -3.009 1.00 0.00 N ATOM 460 CA ILE A 31 -1.346 3.799 -3.507 1.00 0.00 C ATOM 461 C ILE A 31 -2.735 3.181 -3.585 1.00 0.00 C ATOM 462 O ILE A 31 -3.558 3.351 -2.683 1.00 0.00 O ATOM 463 CB ILE A 31 -0.439 2.916 -2.621 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.932 3.577 -2.430 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.284 1.527 -3.230 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.821 2.861 -1.435 1.00 0.00 C ATOM 0 H ILE A 31 -1.615 5.234 -2.010 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.911 3.844 -4.506 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.910 2.811 -1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.441 3.621 -3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.787 4.605 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.358 0.920 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.263 1.055 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.164 1.612 -4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.772 3.386 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.333 2.840 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.998 1.840 -1.774 1.00 0.00 H new ATOM 478 N HIS A 32 -2.980 2.459 -4.671 1.00 0.00 N ATOM 479 CA HIS A 32 -4.269 1.813 -4.888 1.00 0.00 C ATOM 480 C HIS A 32 -4.365 0.581 -3.997 1.00 0.00 C ATOM 481 O HIS A 32 -3.530 -0.315 -4.090 1.00 0.00 O ATOM 482 CB HIS A 32 -4.452 1.427 -6.364 1.00 0.00 C ATOM 483 CG HIS A 32 -3.883 2.427 -7.330 1.00 0.00 C ATOM 484 ND1 HIS A 32 -3.265 2.066 -8.509 1.00 0.00 N ATOM 485 CD2 HIS A 32 -3.831 3.781 -7.281 1.00 0.00 C ATOM 486 CE1 HIS A 32 -2.855 3.150 -9.140 1.00 0.00 C ATOM 487 NE2 HIS A 32 -3.187 4.205 -8.418 1.00 0.00 N ATOM 0 H HIS A 32 -2.302 2.306 -5.417 1.00 0.00 H new ATOM 0 HA HIS A 32 -5.065 2.512 -4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.980 0.460 -6.538 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.516 1.304 -6.568 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.223 4.409 -6.495 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.336 3.171 -10.087 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.996 5.176 -8.664 1.00 0.00 H new ATOM 496 N LEU A 33 -5.381 0.533 -3.132 1.00 0.00 N ATOM 497 CA LEU A 33 -5.539 -0.595 -2.218 1.00 0.00 C ATOM 498 C LEU A 33 -6.233 -1.754 -2.925 1.00 0.00 C ATOM 499 O LEU A 33 -7.446 -1.728 -3.148 1.00 0.00 O ATOM 500 CB LEU A 33 -6.334 -0.177 -0.976 1.00 0.00 C ATOM 501 CG LEU A 33 -6.102 -1.036 0.271 1.00 0.00 C ATOM 502 CD1 LEU A 33 -6.911 -0.501 1.441 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.453 -2.494 0.002 1.00 0.00 C ATOM 0 H LEU A 33 -6.097 1.254 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.549 -0.921 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.084 0.857 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.396 -0.200 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.044 -0.985 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.735 -1.122 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.608 0.524 1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.971 -0.520 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.279 -3.082 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.502 -2.569 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.829 -2.875 -0.806 1.00 0.00 H new ATOM 515 N ILE A 34 -5.447 -2.769 -3.277 1.00 0.00 N ATOM 516 CA ILE A 34 -5.972 -3.924 -3.997 1.00 0.00 C ATOM 517 C ILE A 34 -6.606 -4.937 -3.042 1.00 0.00 C ATOM 518 O ILE A 34 -7.750 -5.347 -3.246 1.00 0.00 O ATOM 519 CB ILE A 34 -4.872 -4.607 -4.847 1.00 0.00 C ATOM 520 CG1 ILE A 34 -4.143 -3.576 -5.720 1.00 0.00 C ATOM 521 CG2 ILE A 34 -5.456 -5.715 -5.709 1.00 0.00 C ATOM 522 CD1 ILE A 34 -5.049 -2.825 -6.676 1.00 0.00 C ATOM 0 H ILE A 34 -4.448 -2.814 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.747 -3.556 -4.670 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.150 -5.054 -4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.640 -2.858 -5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.368 -4.084 -6.294 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.662 -6.177 -6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.920 -6.467 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.206 -5.297 -6.380 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.458 -2.116 -7.256 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.532 -3.532 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.809 -2.286 -6.110 1.00 0.00 H new ATOM 534 N SER A 35 -5.870 -5.335 -2.000 1.00 0.00 N ATOM 535 CA SER A 35 -6.390 -6.302 -1.031 1.00 0.00 C ATOM 536 C SER A 35 -5.790 -6.094 0.361 1.00 0.00 C ATOM 537 O SER A 35 -4.570 -6.131 0.528 1.00 0.00 O ATOM 538 CB SER A 35 -6.091 -7.729 -1.504 1.00 0.00 C ATOM 539 OG SER A 35 -6.679 -7.985 -2.768 1.00 0.00 O ATOM 0 H SER A 35 -4.924 -5.007 -1.808 1.00 0.00 H new ATOM 0 HA SER A 35 -7.467 -6.148 -0.962 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.013 -7.876 -1.565 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.469 -8.444 -0.773 1.00 0.00 H new ATOM 0 HG SER A 35 -6.471 -8.901 -3.046 1.00 0.00 H new ATOM 545 N LYS A 36 -6.655 -5.874 1.359 1.00 0.00 N ATOM 546 CA LYS A 36 -6.193 -5.688 2.738 1.00 0.00 C ATOM 547 C LYS A 36 -5.863 -7.042 3.386 1.00 0.00 C ATOM 548 O LYS A 36 -5.249 -7.091 4.453 1.00 0.00 O ATOM 549 CB LYS A 36 -7.236 -4.942 3.580 1.00 0.00 C ATOM 550 CG LYS A 36 -7.129 -3.426 3.511 1.00 0.00 C ATOM 551 CD LYS A 36 -8.071 -2.761 4.503 1.00 0.00 C ATOM 552 CE LYS A 36 -7.926 -1.247 4.490 1.00 0.00 C ATOM 553 NZ LYS A 36 -8.755 -0.599 5.545 1.00 0.00 N ATOM 0 H LYS A 36 -7.667 -5.821 1.239 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.287 -5.083 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.232 -5.240 3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.137 -5.254 4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.103 -3.122 3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.363 -3.088 2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.100 -3.030 4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.868 -3.137 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.879 -0.982 4.637 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.218 -0.863 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.187 0.116 6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.580 -0.142 5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.078 -1.318 6.223 1.00 0.00 H new ATOM 567 N GLU A 37 -6.277 -8.134 2.733 1.00 0.00 N ATOM 568 CA GLU A 37 -6.019 -9.485 3.219 1.00 0.00 C ATOM 569 C GLU A 37 -5.154 -10.238 2.211 1.00 0.00 C ATOM 570 O GLU A 37 -5.659 -10.732 1.200 1.00 0.00 O ATOM 571 CB GLU A 37 -7.336 -10.231 3.464 1.00 0.00 C ATOM 572 CG GLU A 37 -7.358 -11.015 4.766 1.00 0.00 C ATOM 573 CD GLU A 37 -7.264 -10.119 5.987 1.00 0.00 C ATOM 574 OE1 GLU A 37 -8.321 -9.654 6.465 1.00 0.00 O ATOM 575 OE2 GLU A 37 -6.134 -9.879 6.463 1.00 0.00 O ATOM 0 H GLU A 37 -6.798 -8.102 1.857 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.485 -9.424 4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.156 -9.512 3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.516 -10.915 2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.276 -11.600 4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.529 -11.723 4.774 1.00 0.00 H new ATOM 582 N THR A 38 -3.848 -10.321 2.479 1.00 0.00 N ATOM 583 CA THR A 38 -2.928 -11.007 1.572 1.00 0.00 C ATOM 584 C THR A 38 -2.432 -12.339 2.153 1.00 0.00 C ATOM 585 O THR A 38 -1.646 -13.042 1.515 1.00 0.00 O ATOM 586 CB THR A 38 -1.706 -10.119 1.243 1.00 0.00 C ATOM 587 OG1 THR A 38 -0.858 -9.999 2.393 1.00 0.00 O ATOM 588 CG2 THR A 38 -2.147 -8.733 0.797 1.00 0.00 C ATOM 0 H THR A 38 -3.408 -9.925 3.310 1.00 0.00 H new ATOM 0 HA THR A 38 -3.490 -11.211 0.661 1.00 0.00 H new ATOM 0 HB THR A 38 -1.155 -10.592 0.430 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.086 -9.436 2.173 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.270 -8.127 0.571 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.768 -8.818 -0.095 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.720 -8.259 1.594 1.00 0.00 H new ATOM 596 N GLY A 39 -2.893 -12.678 3.364 1.00 0.00 N ATOM 597 CA GLY A 39 -2.466 -13.907 4.016 1.00 0.00 C ATOM 598 C GLY A 39 -1.512 -13.648 5.181 1.00 0.00 C ATOM 599 O GLY A 39 -1.055 -14.584 5.840 1.00 0.00 O ATOM 0 H GLY A 39 -3.555 -12.119 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.341 -14.445 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.977 -14.551 3.286 1.00 0.00 H new ATOM 603 N GLU A 40 -1.222 -12.363 5.426 1.00 0.00 N ATOM 604 CA GLU A 40 -0.348 -11.933 6.513 1.00 0.00 C ATOM 605 C GLU A 40 -1.000 -10.763 7.250 1.00 0.00 C ATOM 606 O GLU A 40 -1.364 -9.756 6.638 1.00 0.00 O ATOM 607 CB GLU A 40 1.019 -11.513 5.965 1.00 0.00 C ATOM 608 CG GLU A 40 2.192 -12.194 6.655 1.00 0.00 C ATOM 609 CD GLU A 40 2.456 -13.590 6.121 1.00 0.00 C ATOM 610 OE1 GLU A 40 3.200 -13.712 5.125 1.00 0.00 O ATOM 611 OE2 GLU A 40 1.919 -14.559 6.698 1.00 0.00 O ATOM 0 H GLU A 40 -1.592 -11.592 4.869 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.200 -12.763 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.057 -11.736 4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.126 -10.433 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.087 -11.585 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.996 -12.250 7.726 1.00 0.00 H new ATOM 618 N ALA A 41 -1.147 -10.905 8.568 1.00 0.00 N ATOM 619 CA ALA A 41 -1.752 -9.857 9.386 1.00 0.00 C ATOM 620 C ALA A 41 -0.897 -8.591 9.363 1.00 0.00 C ATOM 621 O ALA A 41 0.334 -8.662 9.380 1.00 0.00 O ATOM 622 CB ALA A 41 -1.956 -10.341 10.815 1.00 0.00 C ATOM 0 H ALA A 41 -0.856 -11.732 9.089 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.728 -9.617 8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.408 -9.545 11.408 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.613 -11.211 10.814 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.993 -10.614 11.248 1.00 0.00 H new ATOM 628 N GLY A 42 -1.558 -7.433 9.327 1.00 0.00 N ATOM 629 CA GLY A 42 -0.842 -6.167 9.303 1.00 0.00 C ATOM 630 C GLY A 42 -0.173 -5.884 7.966 1.00 0.00 C ATOM 631 O GLY A 42 0.698 -5.015 7.888 1.00 0.00 O ATOM 0 H GLY A 42 -2.575 -7.350 9.314 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.537 -5.359 9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.085 -6.170 10.088 1.00 0.00 H new ATOM 635 N TRP A 43 -0.566 -6.609 6.917 1.00 0.00 N ATOM 636 CA TRP A 43 0.014 -6.418 5.591 1.00 0.00 C ATOM 637 C TRP A 43 -1.044 -5.995 4.584 1.00 0.00 C ATOM 638 O TRP A 43 -2.142 -6.556 4.549 1.00 0.00 O ATOM 639 CB TRP A 43 0.686 -7.705 5.111 1.00 0.00 C ATOM 640 CG TRP A 43 2.028 -7.932 5.728 1.00 0.00 C ATOM 641 CD1 TRP A 43 2.291 -8.554 6.913 1.00 0.00 C ATOM 642 CD2 TRP A 43 3.292 -7.530 5.193 1.00 0.00 C ATOM 643 NE1 TRP A 43 3.645 -8.569 7.146 1.00 0.00 N ATOM 644 CE2 TRP A 43 4.281 -7.946 6.104 1.00 0.00 C ATOM 645 CE3 TRP A 43 3.684 -6.862 4.031 1.00 0.00 C ATOM 646 CZ2 TRP A 43 5.636 -7.715 5.887 1.00 0.00 C ATOM 647 CZ3 TRP A 43 5.030 -6.633 3.815 1.00 0.00 C ATOM 648 CH2 TRP A 43 5.992 -7.059 4.739 1.00 0.00 C ATOM 0 H TRP A 43 -1.283 -7.333 6.962 1.00 0.00 H new ATOM 0 HA TRP A 43 0.759 -5.626 5.668 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.040 -8.552 5.340 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.793 -7.669 4.027 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.545 -8.973 7.571 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.102 -8.977 7.961 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.948 -6.530 3.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.380 -8.041 6.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.345 -6.117 2.920 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.036 -6.866 4.542 1.00 0.00 H new ATOM 659 N TRP A 44 -0.693 -5.015 3.755 1.00 0.00 N ATOM 660 CA TRP A 44 -1.600 -4.514 2.731 1.00 0.00 C ATOM 661 C TRP A 44 -0.979 -4.680 1.347 1.00 0.00 C ATOM 662 O TRP A 44 0.242 -4.790 1.215 1.00 0.00 O ATOM 663 CB TRP A 44 -1.961 -3.044 2.983 1.00 0.00 C ATOM 664 CG TRP A 44 -2.966 -2.848 4.083 1.00 0.00 C ATOM 665 CD1 TRP A 44 -3.588 -3.821 4.813 1.00 0.00 C ATOM 666 CD2 TRP A 44 -3.471 -1.599 4.572 1.00 0.00 C ATOM 667 NE1 TRP A 44 -4.441 -3.257 5.727 1.00 0.00 N ATOM 668 CE2 TRP A 44 -4.389 -1.895 5.600 1.00 0.00 C ATOM 669 CE3 TRP A 44 -3.237 -0.260 4.246 1.00 0.00 C ATOM 670 CZ2 TRP A 44 -5.069 -0.903 6.299 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -3.916 0.723 4.942 1.00 0.00 C ATOM 672 CH2 TRP A 44 -4.822 0.396 5.959 1.00 0.00 C ATOM 0 H TRP A 44 0.216 -4.552 3.774 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.519 -5.099 2.777 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.053 -2.494 3.230 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.355 -2.613 2.062 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.431 -4.882 4.688 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.020 -3.769 6.393 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.539 0.002 3.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.768 -1.152 7.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -3.745 1.761 4.697 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.336 1.187 6.485 1.00 0.00 H new ATOM 683 N LYS A 45 -1.824 -4.703 0.324 1.00 0.00 N ATOM 684 CA LYS A 45 -1.363 -4.856 -1.051 1.00 0.00 C ATOM 685 C LYS A 45 -1.918 -3.735 -1.919 1.00 0.00 C ATOM 686 O LYS A 45 -3.103 -3.405 -1.834 1.00 0.00 O ATOM 687 CB LYS A 45 -1.782 -6.219 -1.610 1.00 0.00 C ATOM 688 CG LYS A 45 -0.815 -6.761 -2.654 1.00 0.00 C ATOM 689 CD LYS A 45 -0.864 -8.280 -2.744 1.00 0.00 C ATOM 690 CE LYS A 45 0.293 -8.821 -3.573 1.00 0.00 C ATOM 691 NZ LYS A 45 0.330 -10.311 -3.588 1.00 0.00 N ATOM 0 H LYS A 45 -2.836 -4.617 0.421 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.274 -4.800 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.859 -6.933 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.774 -6.134 -2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.055 -6.332 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.199 -6.445 -2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.828 -8.707 -1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.810 -8.590 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.209 -8.452 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.233 -8.440 -3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.134 -10.633 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.437 -10.665 -2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.555 -10.676 -3.994 1.00 0.00 H new ATOM 705 N GLY A 46 -1.056 -3.148 -2.747 1.00 0.00 N ATOM 706 CA GLY A 46 -1.481 -2.063 -3.611 1.00 0.00 C ATOM 707 C GLY A 46 -0.726 -2.016 -4.926 1.00 0.00 C ATOM 708 O GLY A 46 0.147 -2.848 -5.178 1.00 0.00 O ATOM 0 H GLY A 46 -0.073 -3.405 -2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.547 -2.166 -3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.346 -1.116 -3.088 1.00 0.00 H new ATOM 712 N GLU A 47 -1.065 -1.040 -5.767 1.00 0.00 N ATOM 713 CA GLU A 47 -0.411 -0.882 -7.063 1.00 0.00 C ATOM 714 C GLU A 47 0.178 0.522 -7.210 1.00 0.00 C ATOM 715 O GLU A 47 -0.473 1.518 -6.890 1.00 0.00 O ATOM 716 CB GLU A 47 -1.395 -1.170 -8.195 1.00 0.00 C ATOM 717 CG GLU A 47 -0.733 -1.295 -9.558 1.00 0.00 C ATOM 718 CD GLU A 47 -1.686 -1.802 -10.622 1.00 0.00 C ATOM 719 OE1 GLU A 47 -2.464 -0.986 -11.161 1.00 0.00 O ATOM 720 OE2 GLU A 47 -1.656 -3.016 -10.914 1.00 0.00 O ATOM 0 H GLU A 47 -1.789 -0.348 -5.573 1.00 0.00 H new ATOM 0 HA GLU A 47 0.407 -1.600 -7.121 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.930 -2.093 -7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.137 -0.372 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.342 -0.323 -9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.118 -1.972 -9.484 1.00 0.00 H new ATOM 727 N LEU A 48 1.417 0.580 -7.698 1.00 0.00 N ATOM 728 CA LEU A 48 2.130 1.842 -7.894 1.00 0.00 C ATOM 729 C LEU A 48 2.988 1.792 -9.160 1.00 0.00 C ATOM 730 O LEU A 48 3.952 1.025 -9.228 1.00 0.00 O ATOM 731 CB LEU A 48 3.025 2.117 -6.684 1.00 0.00 C ATOM 732 CG LEU A 48 3.331 3.594 -6.425 1.00 0.00 C ATOM 733 CD1 LEU A 48 2.054 4.346 -6.075 1.00 0.00 C ATOM 734 CD2 LEU A 48 4.360 3.735 -5.316 1.00 0.00 C ATOM 0 H LEU A 48 1.954 -0.244 -7.968 1.00 0.00 H new ATOM 0 HA LEU A 48 1.396 2.640 -8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.548 1.700 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.967 1.585 -6.820 1.00 0.00 H new ATOM 0 HG LEU A 48 3.746 4.029 -7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.288 5.395 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.348 4.269 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.611 3.913 -5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.567 4.791 -5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.972 3.287 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.280 3.228 -5.607 1.00 0.00 H new ATOM 746 N ASN A 49 2.635 2.605 -10.162 1.00 0.00 N ATOM 747 CA ASN A 49 3.382 2.638 -11.425 1.00 0.00 C ATOM 748 C ASN A 49 3.397 1.265 -12.097 1.00 0.00 C ATOM 749 O ASN A 49 4.428 0.814 -12.601 1.00 0.00 O ATOM 750 CB ASN A 49 4.811 3.151 -11.208 1.00 0.00 C ATOM 751 CG ASN A 49 4.847 4.585 -10.709 1.00 0.00 C ATOM 752 OD1 ASN A 49 4.806 5.530 -11.498 1.00 0.00 O ATOM 753 ND2 ASN A 49 4.932 4.755 -9.395 1.00 0.00 N ATOM 0 H ASN A 49 1.842 3.245 -10.124 1.00 0.00 H new ATOM 0 HA ASN A 49 2.870 3.332 -12.091 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.319 2.507 -10.490 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.364 3.082 -12.145 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.966 5.696 -9.004 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.963 3.944 -8.777 1.00 0.00 H new ATOM 760 N GLY A 50 2.229 0.612 -12.109 1.00 0.00 N ATOM 761 CA GLY A 50 2.092 -0.676 -12.760 1.00 0.00 C ATOM 762 C GLY A 50 2.615 -1.860 -11.965 1.00 0.00 C ATOM 763 O GLY A 50 2.521 -2.992 -12.442 1.00 0.00 O ATOM 0 H GLY A 50 1.374 0.960 -11.675 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.038 -0.844 -12.980 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.616 -0.640 -13.715 1.00 0.00 H new ATOM 767 N LYS A 51 3.162 -1.639 -10.763 1.00 0.00 N ATOM 768 CA LYS A 51 3.682 -2.740 -9.962 1.00 0.00 C ATOM 769 C LYS A 51 2.814 -2.976 -8.731 1.00 0.00 C ATOM 770 O LYS A 51 2.426 -2.031 -8.043 1.00 0.00 O ATOM 771 CB LYS A 51 5.119 -2.445 -9.517 1.00 0.00 C ATOM 772 CG LYS A 51 6.157 -2.593 -10.620 1.00 0.00 C ATOM 773 CD LYS A 51 6.079 -1.451 -11.622 1.00 0.00 C ATOM 774 CE LYS A 51 7.152 -1.572 -12.691 1.00 0.00 C ATOM 775 NZ LYS A 51 7.092 -0.448 -13.667 1.00 0.00 N ATOM 0 H LYS A 51 3.253 -0.718 -10.333 1.00 0.00 H new ATOM 0 HA LYS A 51 3.669 -3.637 -10.582 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.165 -1.429 -9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.378 -3.115 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.154 -2.624 -10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.007 -3.541 -11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.095 -1.445 -12.092 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.189 -0.500 -11.101 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.134 -1.591 -12.219 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.034 -2.518 -13.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.028 -0.830 -14.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.256 0.139 -13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.950 0.133 -13.581 1.00 0.00 H new ATOM 789 N GLU A 52 2.516 -4.244 -8.460 1.00 0.00 N ATOM 790 CA GLU A 52 1.719 -4.619 -7.298 1.00 0.00 C ATOM 791 C GLU A 52 2.630 -5.240 -6.244 1.00 0.00 C ATOM 792 O GLU A 52 3.580 -5.947 -6.588 1.00 0.00 O ATOM 793 CB GLU A 52 0.617 -5.616 -7.681 1.00 0.00 C ATOM 794 CG GLU A 52 1.137 -6.940 -8.217 1.00 0.00 C ATOM 795 CD GLU A 52 0.067 -8.013 -8.250 1.00 0.00 C ATOM 796 OE1 GLU A 52 -0.238 -8.578 -7.177 1.00 0.00 O ATOM 797 OE2 GLU A 52 -0.467 -8.288 -9.344 1.00 0.00 O ATOM 0 H GLU A 52 2.817 -5.032 -9.033 1.00 0.00 H new ATOM 0 HA GLU A 52 1.242 -3.723 -6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.004 -5.809 -6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.026 -5.159 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.530 -6.792 -9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.967 -7.278 -7.597 1.00 0.00 H new ATOM 804 N GLY A 53 2.357 -4.982 -4.973 1.00 0.00 N ATOM 805 CA GLY A 53 3.193 -5.549 -3.933 1.00 0.00 C ATOM 806 C GLY A 53 2.676 -5.298 -2.537 1.00 0.00 C ATOM 807 O GLY A 53 1.760 -4.495 -2.340 1.00 0.00 O ATOM 0 H GLY A 53 1.585 -4.400 -4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.277 -6.624 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.197 -5.134 -4.019 1.00 0.00 H new ATOM 811 N VAL A 54 3.268 -5.984 -1.561 1.00 0.00 N ATOM 812 CA VAL A 54 2.858 -5.833 -0.176 1.00 0.00 C ATOM 813 C VAL A 54 3.770 -4.858 0.543 1.00 0.00 C ATOM 814 O VAL A 54 4.868 -4.530 0.078 1.00 0.00 O ATOM 815 CB VAL A 54 2.819 -7.172 0.586 1.00 0.00 C ATOM 816 CG1 VAL A 54 1.809 -8.110 -0.051 1.00 0.00 C ATOM 817 CG2 VAL A 54 4.200 -7.813 0.650 1.00 0.00 C ATOM 0 H VAL A 54 4.030 -6.646 -1.708 1.00 0.00 H new ATOM 0 HA VAL A 54 1.841 -5.442 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 54 2.506 -6.973 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.791 -9.052 0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.819 -7.654 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.090 -8.298 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.139 -8.756 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.561 -8.000 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.889 -7.142 1.163 1.00 0.00 H new ATOM 827 N PHE A 55 3.295 -4.396 1.691 1.00 0.00 N ATOM 828 CA PHE A 55 4.016 -3.414 2.482 1.00 0.00 C ATOM 829 C PHE A 55 3.343 -3.206 3.844 1.00 0.00 C ATOM 830 O PHE A 55 2.264 -3.736 4.104 1.00 0.00 O ATOM 831 CB PHE A 55 4.023 -2.097 1.695 1.00 0.00 C ATOM 832 CG PHE A 55 2.633 -1.609 1.398 1.00 0.00 C ATOM 833 CD1 PHE A 55 1.894 -2.179 0.374 1.00 0.00 C ATOM 834 CD2 PHE A 55 2.051 -0.617 2.167 1.00 0.00 C ATOM 835 CE1 PHE A 55 0.601 -1.773 0.126 1.00 0.00 C ATOM 836 CE2 PHE A 55 0.760 -0.199 1.918 1.00 0.00 C ATOM 837 CZ PHE A 55 0.031 -0.780 0.899 1.00 0.00 C ATOM 0 H PHE A 55 2.406 -4.690 2.096 1.00 0.00 H new ATOM 0 HA PHE A 55 5.033 -3.761 2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.559 -1.338 2.264 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.565 -2.237 0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.337 -2.951 -0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.613 -0.165 2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.034 -2.230 -0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.320 0.582 2.520 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.982 -0.459 0.707 1.00 0.00 H new ATOM 847 N PRO A 56 3.979 -2.425 4.724 1.00 0.00 N ATOM 848 CA PRO A 56 3.434 -2.104 6.044 1.00 0.00 C ATOM 849 C PRO A 56 2.209 -1.222 5.966 1.00 0.00 C ATOM 850 O PRO A 56 2.151 -0.261 5.208 1.00 0.00 O ATOM 851 CB PRO A 56 4.566 -1.322 6.735 1.00 0.00 C ATOM 852 CG PRO A 56 5.755 -1.357 5.823 1.00 0.00 C ATOM 853 CD PRO A 56 5.258 -1.740 4.464 1.00 0.00 C ATOM 0 HA PRO A 56 3.126 -3.009 6.568 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.260 -0.294 6.928 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.808 -1.769 7.699 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.246 -0.384 5.793 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.493 -2.076 6.180 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.119 -0.864 3.830 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.963 -2.395 3.952 1.00 0.00 H new ATOM 861 N ASP A 57 1.250 -1.543 6.838 1.00 0.00 N ATOM 862 CA ASP A 57 -0.019 -0.842 6.902 1.00 0.00 C ATOM 863 C ASP A 57 0.108 0.346 7.871 1.00 0.00 C ATOM 864 O ASP A 57 -0.880 1.006 8.199 1.00 0.00 O ATOM 865 CB ASP A 57 -1.127 -1.824 7.346 1.00 0.00 C ATOM 866 CG ASP A 57 -1.292 -1.928 8.858 1.00 0.00 C ATOM 867 OD1 ASP A 57 -0.618 -2.782 9.477 1.00 0.00 O ATOM 868 OD2 ASP A 57 -2.103 -1.162 9.419 1.00 0.00 O ATOM 0 H ASP A 57 1.339 -2.299 7.517 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.289 -0.453 5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.074 -1.509 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.904 -2.813 6.946 1.00 0.00 H new ATOM 873 N ASN A 58 1.351 0.611 8.320 1.00 0.00 N ATOM 874 CA ASN A 58 1.648 1.698 9.242 1.00 0.00 C ATOM 875 C ASN A 58 2.251 2.904 8.511 1.00 0.00 C ATOM 876 O ASN A 58 2.370 3.982 9.096 1.00 0.00 O ATOM 877 CB ASN A 58 2.646 1.222 10.304 1.00 0.00 C ATOM 878 CG ASN A 58 2.095 0.143 11.215 1.00 0.00 C ATOM 879 OD1 ASN A 58 0.890 0.072 11.464 1.00 0.00 O ATOM 880 ND2 ASN A 58 2.983 -0.707 11.723 1.00 0.00 N ATOM 0 H ASN A 58 2.171 0.070 8.046 1.00 0.00 H new ATOM 0 HA ASN A 58 0.710 2.000 9.708 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.540 0.845 9.807 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.954 2.075 10.909 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.675 -1.454 12.345 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.971 -0.612 11.490 1.00 0.00 H new ATOM 887 N PHE A 59 2.628 2.727 7.234 1.00 0.00 N ATOM 888 CA PHE A 59 3.225 3.811 6.450 1.00 0.00 C ATOM 889 C PHE A 59 2.185 4.478 5.540 1.00 0.00 C ATOM 890 O PHE A 59 2.523 5.374 4.766 1.00 0.00 O ATOM 891 CB PHE A 59 4.391 3.278 5.603 1.00 0.00 C ATOM 892 CG PHE A 59 5.692 3.174 6.355 1.00 0.00 C ATOM 893 CD1 PHE A 59 5.941 2.099 7.197 1.00 0.00 C ATOM 894 CD2 PHE A 59 6.669 4.149 6.217 1.00 0.00 C ATOM 895 CE1 PHE A 59 7.136 2.001 7.885 1.00 0.00 C ATOM 896 CE2 PHE A 59 7.864 4.056 6.904 1.00 0.00 C ATOM 897 CZ PHE A 59 8.099 2.982 7.738 1.00 0.00 C ATOM 0 H PHE A 59 2.529 1.847 6.728 1.00 0.00 H new ATOM 0 HA PHE A 59 3.599 4.559 7.149 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.126 2.294 5.216 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.531 3.932 4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.192 1.330 7.316 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.493 4.991 5.564 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.317 1.159 8.537 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.614 4.824 6.788 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.033 2.908 8.275 1.00 0.00 H new ATOM 907 N ALA A 60 0.926 4.039 5.634 1.00 0.00 N ATOM 908 CA ALA A 60 -0.150 4.595 4.822 1.00 0.00 C ATOM 909 C ALA A 60 -1.474 4.569 5.580 1.00 0.00 C ATOM 910 O ALA A 60 -1.897 3.519 6.069 1.00 0.00 O ATOM 911 CB ALA A 60 -0.276 3.827 3.514 1.00 0.00 C ATOM 0 H ALA A 60 0.631 3.297 6.268 1.00 0.00 H new ATOM 0 HA ALA A 60 0.094 5.633 4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.083 4.253 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.660 3.896 2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.495 2.781 3.726 1.00 0.00 H new ATOM 917 N VAL A 61 -2.122 5.728 5.673 1.00 0.00 N ATOM 918 CA VAL A 61 -3.406 5.842 6.363 1.00 0.00 C ATOM 919 C VAL A 61 -4.572 5.706 5.380 1.00 0.00 C ATOM 920 O VAL A 61 -4.537 6.258 4.278 1.00 0.00 O ATOM 921 CB VAL A 61 -3.519 7.190 7.109 1.00 0.00 C ATOM 922 CG1 VAL A 61 -3.513 8.364 6.137 1.00 0.00 C ATOM 923 CG2 VAL A 61 -4.766 7.218 7.983 1.00 0.00 C ATOM 0 H VAL A 61 -1.779 6.604 5.278 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.456 5.030 7.089 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.645 7.289 7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.594 9.298 6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.583 8.360 5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.357 8.275 5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.827 8.176 8.500 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.650 7.085 7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.715 6.413 8.716 1.00 0.00 H new ATOM 933 N GLN A 62 -5.603 4.969 5.790 1.00 0.00 N ATOM 934 CA GLN A 62 -6.805 4.799 4.979 1.00 0.00 C ATOM 935 C GLN A 62 -7.738 5.992 5.186 1.00 0.00 C ATOM 936 O GLN A 62 -7.975 6.406 6.323 1.00 0.00 O ATOM 937 CB GLN A 62 -7.531 3.502 5.363 1.00 0.00 C ATOM 938 CG GLN A 62 -8.868 3.303 4.654 1.00 0.00 C ATOM 939 CD GLN A 62 -8.750 3.274 3.139 1.00 0.00 C ATOM 940 OE1 GLN A 62 -7.722 2.879 2.590 1.00 0.00 O ATOM 941 NE2 GLN A 62 -9.814 3.677 2.452 1.00 0.00 N ATOM 0 H GLN A 62 -5.629 4.478 6.684 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.515 4.741 3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.883 2.655 5.138 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.699 3.497 6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.316 2.369 4.994 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.547 4.105 4.943 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.648 3.998 2.945 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.797 3.666 1.432 1.00 0.00 H new ATOM 950 N ILE A 63 -8.269 6.545 4.091 1.00 0.00 N ATOM 951 CA ILE A 63 -9.173 7.698 4.181 1.00 0.00 C ATOM 952 C ILE A 63 -10.421 7.355 4.997 1.00 0.00 C ATOM 953 O ILE A 63 -10.856 8.142 5.840 1.00 0.00 O ATOM 954 CB ILE A 63 -9.596 8.214 2.785 1.00 0.00 C ATOM 955 CG1 ILE A 63 -8.364 8.629 1.970 1.00 0.00 C ATOM 956 CG2 ILE A 63 -10.565 9.384 2.917 1.00 0.00 C ATOM 957 CD1 ILE A 63 -7.506 9.681 2.646 1.00 0.00 C ATOM 0 H ILE A 63 -8.092 6.218 3.141 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.619 8.490 4.685 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.103 7.405 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.754 7.746 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.692 9.008 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.851 9.733 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.454 9.061 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.083 10.196 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.655 9.922 2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.099 10.580 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.147 9.298 3.601 1.00 0.00 H new ATOM 969 N SER A 64 -10.981 6.168 4.742 1.00 0.00 N ATOM 970 CA SER A 64 -12.185 5.707 5.430 1.00 0.00 C ATOM 971 C SER A 64 -12.581 4.309 4.952 1.00 0.00 C ATOM 972 O SER A 64 -13.025 4.179 3.790 1.00 0.00 O ATOM 973 CB SER A 64 -13.343 6.691 5.208 1.00 0.00 C ATOM 974 OG SER A 64 -13.487 7.018 3.834 1.00 0.00 O ATOM 975 OXT SER A 64 -12.439 3.353 5.744 1.00 0.00 O ATOM 0 H SER A 64 -10.614 5.506 4.058 1.00 0.00 H new ATOM 0 HA SER A 64 -11.968 5.658 6.497 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.270 6.254 5.579 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.166 7.600 5.783 1.00 0.00 H new ATOM 0 HG SER A 64 -13.341 6.216 3.290 1.00 0.00 H new TER 981 SER A 64