USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 23:sc= 0.108 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0744 (180deg=-0.493) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.0239 (180deg=-0.374) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -26:sc= 0.482 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.056 (180deg=-0.414) USER MOD Single : A 21 LYS NZ :NH3+ -132:sc= -0.598 (180deg=-2.75!) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= -0.0443 (180deg=-0.396) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -128:sc= 0.556 USER MOD Single : A 32 THR OG1 : rot 51:sc= 0.731 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= -0.558 (180deg=-2.72!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.0484 (180deg=-0.439) USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= -0.0298 (180deg=-0.402) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 57 MET CE :methyl 162:sc= -0.0449 (180deg=-0.415) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.759 1.387 10.079 1.00 0.00 N ATOM 2 CA ALA A 1 -0.280 1.354 8.689 1.00 0.00 C ATOM 3 C ALA A 1 -1.208 0.481 7.861 1.00 0.00 C ATOM 4 O ALA A 1 -0.782 -0.445 7.174 1.00 0.00 O ATOM 5 CB ALA A 1 1.139 0.794 8.659 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.127 1.984 10.650 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.722 1.779 10.105 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.767 0.422 10.466 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.273 2.361 8.272 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.498 0.768 7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.794 1.429 9.256 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.140 -0.216 9.070 1.00 0.00 H new ATOM 13 N THR A 2 -2.494 0.778 7.922 1.00 0.00 N ATOM 14 CA THR A 2 -3.444 -0.005 7.136 1.00 0.00 C ATOM 15 C THR A 2 -4.301 0.947 6.317 1.00 0.00 C ATOM 16 O THR A 2 -4.822 1.941 6.819 1.00 0.00 O ATOM 17 CB THR A 2 -4.331 -0.824 8.072 1.00 0.00 C ATOM 18 OG1 THR A 2 -4.960 0.044 9.002 1.00 0.00 O ATOM 19 CG2 THR A 2 -3.508 -1.863 8.829 1.00 0.00 C ATOM 0 H THR A 2 -2.899 1.527 8.484 1.00 0.00 H new ATOM 0 HA THR A 2 -2.908 -0.684 6.472 1.00 0.00 H new ATOM 0 HB THR A 2 -5.081 -1.342 7.475 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.991 0.951 8.633 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.161 -2.434 9.489 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.031 -2.538 8.118 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.743 -1.360 9.421 1.00 0.00 H new ATOM 27 N VAL A 3 -4.455 0.646 5.041 1.00 0.00 N ATOM 28 CA VAL A 3 -5.281 1.515 4.207 1.00 0.00 C ATOM 29 C VAL A 3 -6.697 0.965 4.191 1.00 0.00 C ATOM 30 O VAL A 3 -6.950 -0.164 3.776 1.00 0.00 O ATOM 31 CB VAL A 3 -4.708 1.560 2.791 1.00 0.00 C ATOM 32 CG1 VAL A 3 -5.626 2.359 1.870 1.00 0.00 C ATOM 33 CG2 VAL A 3 -3.332 2.219 2.818 1.00 0.00 C ATOM 0 H VAL A 3 -4.041 -0.158 4.569 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.290 2.529 4.607 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.626 0.540 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.204 2.381 0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.609 1.889 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.722 3.378 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.924 2.251 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.422 3.234 3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.666 1.644 3.461 1.00 0.00 H new ATOM 43 N LYS A 4 -7.640 1.767 4.649 1.00 0.00 N ATOM 44 CA LYS A 4 -9.020 1.294 4.659 1.00 0.00 C ATOM 45 C LYS A 4 -9.618 1.426 3.267 1.00 0.00 C ATOM 46 O LYS A 4 -10.166 2.462 2.895 1.00 0.00 O ATOM 47 CB LYS A 4 -9.823 2.112 5.666 1.00 0.00 C ATOM 48 CG LYS A 4 -11.151 1.422 5.968 1.00 0.00 C ATOM 49 CD LYS A 4 -11.939 2.162 7.051 1.00 0.00 C ATOM 50 CE LYS A 4 -12.361 3.560 6.600 1.00 0.00 C ATOM 51 NZ LYS A 4 -13.189 4.182 7.644 1.00 0.00 N ATOM 0 H LYS A 4 -7.492 2.711 5.006 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.049 0.244 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.251 2.233 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.006 3.111 5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.748 1.366 5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.964 0.397 6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.825 1.583 7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.331 2.240 7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.481 4.173 6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.919 3.499 5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.477 5.133 7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.035 3.600 7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.641 4.253 8.525 1.00 0.00 H new ATOM 65 N PHE A 5 -9.522 0.366 2.485 1.00 0.00 N ATOM 66 CA PHE A 5 -10.114 0.418 1.151 1.00 0.00 C ATOM 67 C PHE A 5 -11.580 0.029 1.259 1.00 0.00 C ATOM 68 O PHE A 5 -11.976 -1.098 0.967 1.00 0.00 O ATOM 69 CB PHE A 5 -9.364 -0.545 0.233 1.00 0.00 C ATOM 70 CG PHE A 5 -9.959 -0.539 -1.155 1.00 0.00 C ATOM 71 CD1 PHE A 5 -9.862 0.557 -1.921 1.00 0.00 C ATOM 72 CD2 PHE A 5 -10.573 -1.634 -1.626 1.00 0.00 C ATOM 73 CE1 PHE A 5 -10.385 0.560 -3.155 1.00 0.00 C ATOM 74 CE2 PHE A 5 -11.095 -1.630 -2.860 1.00 0.00 C ATOM 75 CZ PHE A 5 -11.002 -0.533 -3.624 1.00 0.00 C ATOM 0 H PHE A 5 -9.061 -0.510 2.731 1.00 0.00 H new ATOM 0 HA PHE A 5 -10.040 1.422 0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.312 -0.262 0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -9.404 -1.553 0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.363 1.437 -1.544 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -10.647 -2.519 -1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.309 1.444 -3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -11.591 -2.511 -3.239 1.00 0.00 H new ATOM 0 HZ PHE A 5 -11.424 -0.530 -4.618 1.00 0.00 H new ATOM 85 N LYS A 6 -12.398 0.964 1.706 1.00 0.00 N ATOM 86 CA LYS A 6 -13.801 0.625 1.924 1.00 0.00 C ATOM 87 C LYS A 6 -14.512 0.481 0.589 1.00 0.00 C ATOM 88 O LYS A 6 -14.185 1.141 -0.397 1.00 0.00 O ATOM 89 CB LYS A 6 -14.454 1.722 2.763 1.00 0.00 C ATOM 90 CG LYS A 6 -14.322 3.079 2.074 1.00 0.00 C ATOM 91 CD LYS A 6 -14.857 4.210 2.951 1.00 0.00 C ATOM 92 CE LYS A 6 -16.360 4.086 3.197 1.00 0.00 C ATOM 93 NZ LYS A 6 -17.084 4.110 1.918 1.00 0.00 N ATOM 0 H LYS A 6 -12.136 1.926 1.919 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.874 -0.324 2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.507 1.489 2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.987 1.761 3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.275 3.267 1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.865 3.062 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.332 4.206 3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.646 5.168 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -16.574 3.158 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.701 4.903 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.089 4.315 2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.681 4.847 1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.995 3.185 1.451 1.00 0.00 H new ATOM 107 N TYR A 7 -15.504 -0.391 0.554 1.00 0.00 N ATOM 108 CA TYR A 7 -16.247 -0.568 -0.690 1.00 0.00 C ATOM 109 C TYR A 7 -17.660 -0.998 -0.324 1.00 0.00 C ATOM 110 O TYR A 7 -17.892 -1.604 0.721 1.00 0.00 O ATOM 111 CB TYR A 7 -15.534 -1.624 -1.534 1.00 0.00 C ATOM 112 CG TYR A 7 -16.191 -1.803 -2.884 1.00 0.00 C ATOM 113 CD1 TYR A 7 -16.350 -0.755 -3.703 1.00 0.00 C ATOM 114 CD2 TYR A 7 -16.604 -3.019 -3.268 1.00 0.00 C ATOM 115 CE1 TYR A 7 -16.930 -0.920 -4.900 1.00 0.00 C ATOM 116 CE2 TYR A 7 -17.182 -3.185 -4.465 1.00 0.00 C ATOM 117 CZ TYR A 7 -17.347 -2.135 -5.281 1.00 0.00 C ATOM 118 OH TYR A 7 -17.939 -2.304 -6.505 1.00 0.00 O ATOM 0 H TYR A 7 -15.809 -0.969 1.337 1.00 0.00 H new ATOM 0 HA TYR A 7 -16.298 0.352 -1.273 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -14.492 -1.335 -1.673 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -15.533 -2.575 -1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -16.010 0.224 -3.398 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -16.471 -3.866 -2.611 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -17.061 -0.073 -5.558 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -17.515 -4.165 -4.772 1.00 0.00 H new ATOM 0 HH TYR A 7 -18.181 -3.246 -6.624 1.00 0.00 H new ATOM 128 N LYS A 8 -18.627 -0.681 -1.166 1.00 0.00 N ATOM 129 CA LYS A 8 -20.005 -1.027 -0.821 1.00 0.00 C ATOM 130 C LYS A 8 -20.183 -2.538 -0.818 1.00 0.00 C ATOM 131 O LYS A 8 -21.027 -3.088 -0.112 1.00 0.00 O ATOM 132 CB LYS A 8 -20.948 -0.390 -1.836 1.00 0.00 C ATOM 133 CG LYS A 8 -20.790 1.128 -1.828 1.00 0.00 C ATOM 134 CD LYS A 8 -21.740 1.767 -2.839 1.00 0.00 C ATOM 135 CE LYS A 8 -21.624 3.289 -2.807 1.00 0.00 C ATOM 136 NZ LYS A 8 -20.264 3.702 -3.182 1.00 0.00 N ATOM 0 H LYS A 8 -18.500 -0.204 -2.059 1.00 0.00 H new ATOM 0 HA LYS A 8 -20.235 -0.652 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -20.737 -0.779 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -21.979 -0.656 -1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -20.995 1.516 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.761 1.394 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -21.512 1.402 -3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -22.766 1.471 -2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.348 3.731 -3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -21.862 3.658 -1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.262 4.714 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.618 3.533 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.949 3.152 -4.006 1.00 0.00 H new ATOM 150 N GLY A 9 -19.385 -3.231 -1.610 1.00 0.00 N ATOM 151 CA GLY A 9 -19.508 -4.685 -1.635 1.00 0.00 C ATOM 152 C GLY A 9 -18.921 -5.295 -0.371 1.00 0.00 C ATOM 153 O GLY A 9 -19.343 -6.358 0.083 1.00 0.00 O ATOM 0 H GLY A 9 -18.672 -2.836 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.557 -4.965 -1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -18.994 -5.084 -2.510 1.00 0.00 H new ATOM 157 N GLU A 10 -17.936 -4.638 0.215 1.00 0.00 N ATOM 158 CA GLU A 10 -17.339 -5.209 1.419 1.00 0.00 C ATOM 159 C GLU A 10 -16.148 -4.364 1.844 1.00 0.00 C ATOM 160 O GLU A 10 -15.322 -3.951 1.031 1.00 0.00 O ATOM 161 CB GLU A 10 -16.905 -6.642 1.115 1.00 0.00 C ATOM 162 CG GLU A 10 -16.359 -7.332 2.363 1.00 0.00 C ATOM 163 CD GLU A 10 -15.960 -8.765 2.050 1.00 0.00 C ATOM 164 OE1 GLU A 10 -15.201 -8.980 1.081 1.00 0.00 O ATOM 165 OE2 GLU A 10 -16.404 -9.685 2.771 1.00 0.00 O ATOM 0 H GLU A 10 -17.544 -3.751 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.061 -5.219 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.753 -7.206 0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.142 -6.636 0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.497 -6.783 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.113 -7.322 3.150 1.00 0.00 H new ATOM 172 N GLU A 11 -16.045 -4.100 3.134 1.00 0.00 N ATOM 173 CA GLU A 11 -14.905 -3.319 3.605 1.00 0.00 C ATOM 174 C GLU A 11 -13.676 -4.213 3.639 1.00 0.00 C ATOM 175 O GLU A 11 -13.716 -5.345 4.119 1.00 0.00 O ATOM 176 CB GLU A 11 -15.221 -2.776 4.997 1.00 0.00 C ATOM 177 CG GLU A 11 -14.090 -1.889 5.510 1.00 0.00 C ATOM 178 CD GLU A 11 -14.430 -1.331 6.883 1.00 0.00 C ATOM 179 OE1 GLU A 11 -15.210 -0.358 6.960 1.00 0.00 O ATOM 180 OE2 GLU A 11 -13.919 -1.864 7.892 1.00 0.00 O ATOM 0 H GLU A 11 -16.705 -4.398 3.852 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.709 -2.480 2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.149 -2.206 4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.379 -3.605 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.165 -2.464 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.917 -1.071 4.811 1.00 0.00 H new ATOM 187 N LEU A 12 -12.567 -3.711 3.123 1.00 0.00 N ATOM 188 CA LEU A 12 -11.347 -4.518 3.139 1.00 0.00 C ATOM 189 C LEU A 12 -10.199 -3.652 3.631 1.00 0.00 C ATOM 190 O LEU A 12 -10.149 -2.446 3.390 1.00 0.00 O ATOM 191 CB LEU A 12 -11.036 -5.025 1.730 1.00 0.00 C ATOM 192 CG LEU A 12 -12.101 -5.983 1.194 1.00 0.00 C ATOM 193 CD1 LEU A 12 -11.784 -6.314 -0.263 1.00 0.00 C ATOM 194 CD2 LEU A 12 -12.127 -7.279 2.001 1.00 0.00 C ATOM 0 H LEU A 12 -12.479 -2.786 2.702 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.482 -5.375 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.947 -4.174 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.070 -5.530 1.736 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.075 -5.501 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.539 -6.997 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.784 -5.397 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.803 -6.784 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.893 -7.942 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.154 -7.767 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.352 -7.054 3.043 1.00 0.00 H new ATOM 206 N GLN A 13 -9.262 -4.267 4.331 1.00 0.00 N ATOM 207 CA GLN A 13 -8.127 -3.496 4.833 1.00 0.00 C ATOM 208 C GLN A 13 -6.843 -4.073 4.262 1.00 0.00 C ATOM 209 O GLN A 13 -6.331 -5.092 4.723 1.00 0.00 O ATOM 210 CB GLN A 13 -8.098 -3.568 6.358 1.00 0.00 C ATOM 211 CG GLN A 13 -9.362 -2.955 6.957 1.00 0.00 C ATOM 212 CD GLN A 13 -9.304 -2.988 8.475 1.00 0.00 C ATOM 213 OE1 GLN A 13 -9.570 -4.006 9.112 1.00 0.00 O ATOM 214 NE2 GLN A 13 -8.954 -1.865 9.074 1.00 0.00 N ATOM 0 H GLN A 13 -9.256 -5.261 4.561 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.222 -2.454 4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.007 -4.607 6.675 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.221 -3.042 6.734 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.472 -1.926 6.614 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.238 -3.502 6.609 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.739 -1.037 8.519 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.898 -1.826 10.092 1.00 0.00 H new ATOM 223 N VAL A 14 -6.311 -3.423 3.243 1.00 0.00 N ATOM 224 CA VAL A 14 -5.080 -3.934 2.647 1.00 0.00 C ATOM 225 C VAL A 14 -3.893 -3.422 3.447 1.00 0.00 C ATOM 226 O VAL A 14 -4.038 -2.657 4.398 1.00 0.00 O ATOM 227 CB VAL A 14 -4.991 -3.480 1.190 1.00 0.00 C ATOM 228 CG1 VAL A 14 -6.170 -4.040 0.398 1.00 0.00 C ATOM 229 CG2 VAL A 14 -4.992 -1.956 1.097 1.00 0.00 C ATOM 0 H VAL A 14 -6.689 -2.575 2.821 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.075 -5.024 2.668 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.058 -3.856 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.100 -3.712 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.150 -5.129 0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.103 -3.679 0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.928 -1.655 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.912 -1.566 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.136 -1.558 1.642 1.00 0.00 H new ATOM 239 N ASP A 15 -2.701 -3.847 3.065 1.00 0.00 N ATOM 240 CA ASP A 15 -1.519 -3.402 3.800 1.00 0.00 C ATOM 241 C ASP A 15 -0.532 -2.788 2.818 1.00 0.00 C ATOM 242 O ASP A 15 -0.440 -3.192 1.661 1.00 0.00 O ATOM 243 CB ASP A 15 -0.902 -4.605 4.511 1.00 0.00 C ATOM 244 CG ASP A 15 0.287 -4.190 5.363 1.00 0.00 C ATOM 245 OD1 ASP A 15 0.272 -3.066 5.911 1.00 0.00 O ATOM 246 OD2 ASP A 15 1.243 -4.985 5.491 1.00 0.00 O ATOM 0 H ASP A 15 -2.523 -4.475 2.282 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.785 -2.651 4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.653 -5.084 5.139 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.585 -5.343 3.774 1.00 0.00 H new ATOM 251 N ILE A 16 0.216 -1.797 3.272 1.00 0.00 N ATOM 252 CA ILE A 16 1.169 -1.158 2.366 1.00 0.00 C ATOM 253 C ILE A 16 2.449 -1.977 2.295 1.00 0.00 C ATOM 254 O ILE A 16 3.293 -1.773 1.424 1.00 0.00 O ATOM 255 CB ILE A 16 1.433 0.287 2.804 1.00 0.00 C ATOM 256 CG1 ILE A 16 1.897 0.417 4.258 1.00 0.00 C ATOM 257 CG2 ILE A 16 0.140 1.077 2.642 1.00 0.00 C ATOM 258 CD1 ILE A 16 3.408 0.248 4.407 1.00 0.00 C ATOM 0 H ILE A 16 0.191 -1.425 4.222 1.00 0.00 H new ATOM 0 HA ILE A 16 0.746 -1.120 1.362 1.00 0.00 H new ATOM 0 HB ILE A 16 2.240 0.668 2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.604 1.394 4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.389 -0.331 4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.304 2.110 2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.173 1.053 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.638 0.633 3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.684 0.349 5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.701 -0.739 4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.919 1.013 3.822 1.00 0.00 H new ATOM 270 N SER A 17 2.613 -2.906 3.219 1.00 0.00 N ATOM 271 CA SER A 17 3.864 -3.658 3.241 1.00 0.00 C ATOM 272 C SER A 17 3.715 -4.950 2.450 1.00 0.00 C ATOM 273 O SER A 17 4.676 -5.690 2.246 1.00 0.00 O ATOM 274 CB SER A 17 4.231 -3.971 4.688 1.00 0.00 C ATOM 275 OG SER A 17 5.457 -4.687 4.728 1.00 0.00 O ATOM 0 H SER A 17 1.932 -3.154 3.937 1.00 0.00 H new ATOM 0 HA SER A 17 4.654 -3.062 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.320 -3.047 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.440 -4.559 5.155 1.00 0.00 H new ATOM 0 HG SER A 17 5.578 -5.176 3.888 1.00 0.00 H new ATOM 281 N LYS A 18 2.506 -5.236 2.000 1.00 0.00 N ATOM 282 CA LYS A 18 2.309 -6.471 1.243 1.00 0.00 C ATOM 283 C LYS A 18 2.194 -6.149 -0.239 1.00 0.00 C ATOM 284 O LYS A 18 1.813 -6.992 -1.050 1.00 0.00 O ATOM 285 CB LYS A 18 1.040 -7.167 1.724 1.00 0.00 C ATOM 286 CG LYS A 18 1.180 -7.602 3.180 1.00 0.00 C ATOM 287 CD LYS A 18 -0.100 -8.285 3.654 1.00 0.00 C ATOM 288 CE LYS A 18 0.036 -8.720 5.110 1.00 0.00 C ATOM 289 NZ LYS A 18 -1.206 -9.370 5.552 1.00 0.00 N ATOM 0 H LYS A 18 1.674 -4.661 2.134 1.00 0.00 H new ATOM 0 HA LYS A 18 3.161 -7.133 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.189 -6.494 1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.837 -8.036 1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.024 -8.284 3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.392 -6.736 3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.944 -7.603 3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.311 -9.152 3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.875 -9.407 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.249 -7.856 5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.109 -9.665 6.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.998 -8.701 5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.391 -10.204 4.959 1.00 0.00 H new ATOM 303 N ILE A 19 2.524 -4.926 -0.609 1.00 0.00 N ATOM 304 CA ILE A 19 2.444 -4.573 -2.024 1.00 0.00 C ATOM 305 C ILE A 19 3.810 -4.785 -2.655 1.00 0.00 C ATOM 306 O ILE A 19 4.707 -3.949 -2.551 1.00 0.00 O ATOM 307 CB ILE A 19 2.012 -3.114 -2.172 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.649 -2.917 -1.504 1.00 0.00 C ATOM 309 CG2 ILE A 19 1.941 -2.768 -3.660 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.145 -1.477 -1.619 1.00 0.00 C ATOM 0 H ILE A 19 2.838 -4.184 0.016 1.00 0.00 H new ATOM 0 HA ILE A 19 1.708 -5.202 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 19 2.732 -2.454 -1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.077 -3.590 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.720 -3.191 -0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.634 -1.729 -3.778 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.922 -2.910 -4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.217 -3.418 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.825 -1.391 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.855 -0.804 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.045 -1.209 -2.671 1.00 0.00 H new ATOM 322 N LYS A 20 3.983 -5.913 -3.320 1.00 0.00 N ATOM 323 CA LYS A 20 5.280 -6.174 -3.940 1.00 0.00 C ATOM 324 C LYS A 20 5.273 -5.651 -5.368 1.00 0.00 C ATOM 325 O LYS A 20 5.867 -4.621 -5.684 1.00 0.00 O ATOM 326 CB LYS A 20 5.548 -7.676 -3.933 1.00 0.00 C ATOM 327 CG LYS A 20 6.907 -7.974 -4.561 1.00 0.00 C ATOM 328 CD LYS A 20 7.181 -9.475 -4.546 1.00 0.00 C ATOM 329 CE LYS A 20 8.555 -9.782 -5.134 1.00 0.00 C ATOM 330 NZ LYS A 20 8.612 -9.351 -6.538 1.00 0.00 N ATOM 0 H LYS A 20 3.278 -6.639 -3.445 1.00 0.00 H new ATOM 0 HA LYS A 20 6.066 -5.667 -3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.522 -8.052 -2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.763 -8.195 -4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.930 -7.604 -5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.691 -7.449 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.127 -9.849 -3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.412 -9.995 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.328 -9.273 -4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.758 -10.851 -5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.418 -9.809 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.731 -9.620 -7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.728 -8.318 -6.580 1.00 0.00 H new ATOM 344 N LYS A 21 4.602 -6.366 -6.250 1.00 0.00 N ATOM 345 CA LYS A 21 4.589 -5.931 -7.644 1.00 0.00 C ATOM 346 C LYS A 21 3.680 -4.721 -7.791 1.00 0.00 C ATOM 347 O LYS A 21 2.622 -4.625 -7.174 1.00 0.00 O ATOM 348 CB LYS A 21 4.088 -7.077 -8.518 1.00 0.00 C ATOM 349 CG LYS A 21 4.999 -8.293 -8.364 1.00 0.00 C ATOM 350 CD LYS A 21 4.497 -9.523 -9.124 1.00 0.00 C ATOM 351 CE LYS A 21 4.675 -9.411 -10.639 1.00 0.00 C ATOM 352 NZ LYS A 21 3.650 -8.548 -11.244 1.00 0.00 N ATOM 0 H LYS A 21 4.077 -7.217 -6.046 1.00 0.00 H new ATOM 0 HA LYS A 21 5.596 -5.653 -7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.068 -7.339 -8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.061 -6.763 -9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.998 -8.038 -8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.089 -8.540 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.029 -10.405 -8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.441 -9.675 -8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.665 -9.011 -10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.625 -10.404 -11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.240 -9.025 -12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.901 -8.358 -10.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.083 -7.650 -11.541 1.00 0.00 H new ATOM 366 N VAL A 22 4.092 -3.778 -8.620 1.00 0.00 N ATOM 367 CA VAL A 22 3.262 -2.591 -8.804 1.00 0.00 C ATOM 368 C VAL A 22 3.647 -1.924 -10.117 1.00 0.00 C ATOM 369 O VAL A 22 4.822 -1.801 -10.460 1.00 0.00 O ATOM 370 CB VAL A 22 3.456 -1.653 -7.611 1.00 0.00 C ATOM 371 CG1 VAL A 22 4.913 -1.208 -7.492 1.00 0.00 C ATOM 372 CG2 VAL A 22 2.564 -0.421 -7.743 1.00 0.00 C ATOM 0 H VAL A 22 4.958 -3.801 -9.158 1.00 0.00 H new ATOM 0 HA VAL A 22 2.206 -2.856 -8.852 1.00 0.00 H new ATOM 0 HB VAL A 22 3.180 -2.206 -6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.021 -0.542 -6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.550 -2.082 -7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.208 -0.682 -8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.717 0.233 -6.884 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.817 0.115 -8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.520 -0.730 -7.781 1.00 0.00 H new ATOM 382 N TRP A 23 2.654 -1.496 -10.874 1.00 0.00 N ATOM 383 CA TRP A 23 2.967 -0.856 -12.149 1.00 0.00 C ATOM 384 C TRP A 23 1.858 0.120 -12.506 1.00 0.00 C ATOM 385 O TRP A 23 0.670 -0.178 -12.391 1.00 0.00 O ATOM 386 CB TRP A 23 3.123 -1.922 -13.235 1.00 0.00 C ATOM 387 CG TRP A 23 1.814 -2.624 -13.520 1.00 0.00 C ATOM 388 CD1 TRP A 23 0.898 -2.294 -14.521 1.00 0.00 C ATOM 389 CD2 TRP A 23 1.294 -3.720 -12.881 1.00 0.00 C ATOM 390 NE1 TRP A 23 -0.189 -3.176 -14.497 1.00 0.00 N ATOM 391 CE2 TRP A 23 0.113 -4.041 -13.458 1.00 0.00 C ATOM 392 CE3 TRP A 23 1.792 -4.417 -11.865 1.00 0.00 C ATOM 393 CZ2 TRP A 23 -0.601 -5.076 -13.024 1.00 0.00 C ATOM 394 CZ3 TRP A 23 1.070 -5.461 -11.418 1.00 0.00 C ATOM 395 CH2 TRP A 23 -0.111 -5.787 -11.991 1.00 0.00 C ATOM 0 H TRP A 23 1.662 -1.572 -10.647 1.00 0.00 H new ATOM 0 HA TRP A 23 3.905 -0.307 -12.069 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.494 -1.459 -14.149 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.868 -2.654 -12.923 1.00 0.00 H new ATOM 0 HD1 TRP A 23 1.012 -1.475 -15.215 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -1.010 -3.181 -15.102 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.739 -4.156 -11.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.542 -5.337 -13.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.439 -6.047 -10.589 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.670 -6.631 -11.614 1.00 0.00 H new ATOM 406 N ARG A 24 2.241 1.307 -12.942 1.00 0.00 N ATOM 407 CA ARG A 24 1.221 2.292 -13.297 1.00 0.00 C ATOM 408 C ARG A 24 0.876 2.161 -14.771 1.00 0.00 C ATOM 409 O ARG A 24 1.724 1.845 -15.606 1.00 0.00 O ATOM 410 CB ARG A 24 1.695 3.712 -12.970 1.00 0.00 C ATOM 411 CG ARG A 24 2.710 4.287 -13.965 1.00 0.00 C ATOM 412 CD ARG A 24 4.056 3.562 -13.956 1.00 0.00 C ATOM 413 NE ARG A 24 4.623 3.577 -12.609 1.00 0.00 N ATOM 414 CZ ARG A 24 5.791 2.996 -12.402 1.00 0.00 C ATOM 415 NH1 ARG A 24 6.429 2.416 -13.402 1.00 0.00 N ATOM 416 NH2 ARG A 24 6.322 2.995 -11.194 1.00 0.00 N ATOM 0 H ARG A 24 3.208 1.610 -13.058 1.00 0.00 H new ATOM 0 HA ARG A 24 0.325 2.101 -12.707 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.828 4.372 -12.932 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.140 3.713 -11.975 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.288 4.240 -14.969 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.873 5.340 -13.737 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.927 2.534 -14.294 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.742 4.043 -14.654 1.00 0.00 H new ATOM 0 HE ARG A 24 4.125 4.029 -11.842 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.020 2.416 -14.336 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.331 1.968 -13.240 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.830 3.443 -10.420 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.224 2.546 -11.034 1.00 0.00 H new ATOM 430 N VAL A 25 -0.380 2.402 -15.103 1.00 0.00 N ATOM 431 CA VAL A 25 -0.778 2.294 -16.505 1.00 0.00 C ATOM 432 C VAL A 25 -1.263 3.652 -16.985 1.00 0.00 C ATOM 433 O VAL A 25 -1.281 3.953 -18.177 1.00 0.00 O ATOM 434 CB VAL A 25 -1.879 1.243 -16.645 1.00 0.00 C ATOM 435 CG1 VAL A 25 -2.238 1.056 -18.117 1.00 0.00 C ATOM 436 CG2 VAL A 25 -1.411 -0.092 -16.070 1.00 0.00 C ATOM 0 H VAL A 25 -1.121 2.664 -14.453 1.00 0.00 H new ATOM 0 HA VAL A 25 0.070 1.984 -17.115 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.756 1.585 -16.096 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.023 0.305 -18.207 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.591 2.002 -18.528 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.357 0.727 -18.668 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.204 -0.832 -16.176 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.526 -0.430 -16.609 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.169 0.031 -15.014 1.00 0.00 H new ATOM 446 N GLY A 26 -1.653 4.485 -16.041 1.00 0.00 N ATOM 447 CA GLY A 26 -2.107 5.823 -16.416 1.00 0.00 C ATOM 448 C GLY A 26 -3.425 6.146 -15.729 1.00 0.00 C ATOM 449 O GLY A 26 -4.471 5.577 -16.033 1.00 0.00 O ATOM 0 H GLY A 26 -1.668 4.278 -15.042 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.354 6.561 -16.138 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.229 5.883 -17.498 1.00 0.00 H new ATOM 453 N LYS A 27 -3.383 7.080 -14.796 1.00 0.00 N ATOM 454 CA LYS A 27 -4.626 7.480 -14.143 1.00 0.00 C ATOM 455 C LYS A 27 -4.684 6.837 -12.764 1.00 0.00 C ATOM 456 O LYS A 27 -4.923 7.498 -11.754 1.00 0.00 O ATOM 457 CB LYS A 27 -5.798 7.053 -15.027 1.00 0.00 C ATOM 458 CG LYS A 27 -6.981 8.017 -14.924 1.00 0.00 C ATOM 459 CD LYS A 27 -7.670 7.963 -13.562 1.00 0.00 C ATOM 460 CE LYS A 27 -8.838 8.945 -13.508 1.00 0.00 C ATOM 461 NZ LYS A 27 -9.856 8.577 -14.503 1.00 0.00 N ATOM 0 H LYS A 27 -2.541 7.562 -14.480 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.678 8.561 -14.010 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.467 6.996 -16.064 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.121 6.052 -14.741 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.633 9.033 -15.110 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.706 7.780 -15.703 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.030 6.952 -13.371 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.953 8.200 -12.776 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.277 8.945 -12.510 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.481 9.957 -13.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.752 9.053 -14.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.539 8.870 -15.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.998 7.547 -14.490 1.00 0.00 H new ATOM 475 N MET A 28 -4.452 5.538 -12.709 1.00 0.00 N ATOM 476 CA MET A 28 -4.459 4.870 -11.410 1.00 0.00 C ATOM 477 C MET A 28 -3.224 3.992 -11.302 1.00 0.00 C ATOM 478 O MET A 28 -2.482 3.802 -12.265 1.00 0.00 O ATOM 479 CB MET A 28 -5.714 4.011 -11.274 1.00 0.00 C ATOM 480 CG MET A 28 -6.980 4.852 -11.429 1.00 0.00 C ATOM 481 SD MET A 28 -8.423 3.805 -11.188 1.00 0.00 S ATOM 482 CE MET A 28 -9.712 5.040 -11.416 1.00 0.00 C ATOM 0 H MET A 28 -4.263 4.939 -13.512 1.00 0.00 H new ATOM 0 HA MET A 28 -4.454 5.615 -10.615 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.703 3.224 -12.028 1.00 0.00 H new ATOM 0 HB3 MET A 28 -5.718 3.520 -10.301 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.981 5.665 -10.703 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.009 5.308 -12.419 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.689 4.571 -11.302 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.598 5.827 -10.671 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.631 5.471 -12.414 1.00 0.00 H new ATOM 492 N ILE A 29 -2.996 3.443 -10.122 1.00 0.00 N ATOM 493 CA ILE A 29 -1.830 2.578 -9.956 1.00 0.00 C ATOM 494 C ILE A 29 -2.309 1.163 -9.679 1.00 0.00 C ATOM 495 O ILE A 29 -2.929 0.877 -8.656 1.00 0.00 O ATOM 496 CB ILE A 29 -0.980 3.082 -8.787 1.00 0.00 C ATOM 497 CG1 ILE A 29 -0.577 4.549 -8.975 1.00 0.00 C ATOM 498 CG2 ILE A 29 0.262 2.206 -8.633 1.00 0.00 C ATOM 499 CD1 ILE A 29 0.233 4.793 -10.249 1.00 0.00 C ATOM 0 H ILE A 29 -3.574 3.570 -9.291 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.223 2.589 -10.861 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.581 3.019 -7.880 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.476 5.166 -9.000 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.007 4.872 -8.113 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.863 2.570 -7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.040 1.177 -8.440 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.851 2.246 -9.549 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.486 5.851 -10.322 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.148 4.202 -10.217 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.357 4.500 -11.117 1.00 0.00 H new ATOM 511 N SER A 30 -2.020 0.255 -10.594 1.00 0.00 N ATOM 512 CA SER A 30 -2.442 -1.125 -10.372 1.00 0.00 C ATOM 513 C SER A 30 -1.453 -1.801 -9.437 1.00 0.00 C ATOM 514 O SER A 30 -0.287 -1.421 -9.342 1.00 0.00 O ATOM 515 CB SER A 30 -2.492 -1.860 -11.707 1.00 0.00 C ATOM 516 OG SER A 30 -2.904 -3.203 -11.499 1.00 0.00 O ATOM 0 H SER A 30 -1.517 0.431 -11.464 1.00 0.00 H new ATOM 0 HA SER A 30 -3.434 -1.145 -9.921 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.183 -1.358 -12.384 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.511 -1.840 -12.181 1.00 0.00 H new ATOM 0 HG SER A 30 -2.266 -3.811 -11.927 1.00 0.00 H new ATOM 522 N PHE A 31 -1.911 -2.819 -8.730 1.00 0.00 N ATOM 523 CA PHE A 31 -0.998 -3.503 -7.819 1.00 0.00 C ATOM 524 C PHE A 31 -1.569 -4.862 -7.452 1.00 0.00 C ATOM 525 O PHE A 31 -2.767 -5.115 -7.572 1.00 0.00 O ATOM 526 CB PHE A 31 -0.766 -2.650 -6.569 1.00 0.00 C ATOM 527 CG PHE A 31 -2.032 -2.439 -5.768 1.00 0.00 C ATOM 528 CD1 PHE A 31 -2.867 -1.436 -6.074 1.00 0.00 C ATOM 529 CD2 PHE A 31 -2.301 -3.229 -4.718 1.00 0.00 C ATOM 530 CE1 PHE A 31 -3.972 -1.233 -5.343 1.00 0.00 C ATOM 531 CE2 PHE A 31 -3.404 -3.025 -3.987 1.00 0.00 C ATOM 532 CZ PHE A 31 -4.243 -2.028 -4.299 1.00 0.00 C ATOM 0 H PHE A 31 -2.864 -3.181 -8.761 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.036 -3.651 -8.310 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.017 -3.130 -5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.361 -1.682 -6.864 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.649 -0.790 -6.912 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.626 -4.032 -4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.645 -0.427 -5.596 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.618 -3.665 -3.144 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.134 -1.866 -3.711 1.00 0.00 H new ATOM 542 N THR A 32 -0.701 -5.755 -7.009 1.00 0.00 N ATOM 543 CA THR A 32 -1.172 -7.098 -6.676 1.00 0.00 C ATOM 544 C THR A 32 -0.817 -7.408 -5.231 1.00 0.00 C ATOM 545 O THR A 32 0.231 -7.975 -4.928 1.00 0.00 O ATOM 546 CB THR A 32 -0.508 -8.114 -7.603 1.00 0.00 C ATOM 547 OG1 THR A 32 0.902 -8.025 -7.464 1.00 0.00 O ATOM 548 CG2 THR A 32 -0.888 -7.842 -9.056 1.00 0.00 C ATOM 0 H THR A 32 0.296 -5.591 -6.873 1.00 0.00 H new ATOM 0 HA THR A 32 -2.253 -7.152 -6.803 1.00 0.00 H new ATOM 0 HB THR A 32 -0.849 -9.113 -7.331 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.141 -8.072 -6.515 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.406 -8.576 -9.702 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.970 -7.915 -9.169 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.560 -6.841 -9.336 1.00 0.00 H new ATOM 556 N TYR A 33 -1.701 -7.047 -4.321 1.00 0.00 N ATOM 557 CA TYR A 33 -1.436 -7.371 -2.922 1.00 0.00 C ATOM 558 C TYR A 33 -1.722 -8.850 -2.713 1.00 0.00 C ATOM 559 O TYR A 33 -2.721 -9.386 -3.187 1.00 0.00 O ATOM 560 CB TYR A 33 -2.307 -6.512 -2.005 1.00 0.00 C ATOM 561 CG TYR A 33 -3.777 -6.840 -2.154 1.00 0.00 C ATOM 562 CD1 TYR A 33 -4.487 -6.339 -3.176 1.00 0.00 C ATOM 563 CD2 TYR A 33 -4.378 -7.623 -1.247 1.00 0.00 C ATOM 564 CE1 TYR A 33 -5.789 -6.629 -3.296 1.00 0.00 C ATOM 565 CE2 TYR A 33 -5.680 -7.913 -1.366 1.00 0.00 C ATOM 566 CZ TYR A 33 -6.386 -7.417 -2.391 1.00 0.00 C ATOM 567 OH TYR A 33 -7.717 -7.715 -2.514 1.00 0.00 O ATOM 0 H TYR A 33 -2.573 -6.551 -4.506 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.395 -7.162 -2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.004 -6.664 -0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.145 -5.458 -2.233 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.008 -5.701 -3.903 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.811 -8.021 -0.418 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.358 -6.228 -4.122 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.161 -8.547 -0.636 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.991 -8.298 -1.776 1.00 0.00 H new ATOM 577 N ASP A 34 -0.836 -9.533 -2.011 1.00 0.00 N ATOM 578 CA ASP A 34 -1.037 -10.970 -1.843 1.00 0.00 C ATOM 579 C ASP A 34 -1.980 -11.227 -0.679 1.00 0.00 C ATOM 580 O ASP A 34 -1.736 -10.830 0.459 1.00 0.00 O ATOM 581 CB ASP A 34 0.311 -11.639 -1.585 1.00 0.00 C ATOM 582 CG ASP A 34 0.139 -13.140 -1.418 1.00 0.00 C ATOM 583 OD1 ASP A 34 0.051 -13.853 -2.441 1.00 0.00 O ATOM 584 OD2 ASP A 34 0.091 -13.616 -0.263 1.00 0.00 O ATOM 0 H ASP A 34 -0.005 -9.144 -1.565 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.479 -11.386 -2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.989 -11.435 -2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.767 -11.218 -0.689 1.00 0.00 H new ATOM 589 N GLU A 35 -3.074 -11.909 -0.964 1.00 0.00 N ATOM 590 CA GLU A 35 -4.013 -12.221 0.107 1.00 0.00 C ATOM 591 C GLU A 35 -4.953 -13.312 -0.381 1.00 0.00 C ATOM 592 O GLU A 35 -6.091 -13.061 -0.776 1.00 0.00 O ATOM 593 CB GLU A 35 -4.794 -10.961 0.473 1.00 0.00 C ATOM 594 CG GLU A 35 -5.740 -11.228 1.640 1.00 0.00 C ATOM 595 CD GLU A 35 -6.481 -9.960 2.028 1.00 0.00 C ATOM 596 OE1 GLU A 35 -5.916 -8.916 2.351 1.00 0.00 O ATOM 597 OE2 GLU A 35 -7.841 -10.124 1.973 1.00 0.00 O ATOM 0 H GLU A 35 -3.332 -12.249 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.485 -12.571 0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.101 -10.162 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.363 -10.617 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.455 -12.004 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.176 -11.602 2.494 1.00 0.00 H new ATOM 605 N GLY A 36 -4.478 -14.544 -0.373 1.00 0.00 N ATOM 606 CA GLY A 36 -5.330 -15.624 -0.860 1.00 0.00 C ATOM 607 C GLY A 36 -4.618 -16.959 -0.725 1.00 0.00 C ATOM 608 O GLY A 36 -5.196 -17.960 -0.302 1.00 0.00 O ATOM 0 H GLY A 36 -3.550 -14.820 -0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.263 -15.643 -0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.592 -15.448 -1.903 1.00 0.00 H new ATOM 612 N GLY A 37 -3.352 -16.993 -1.095 1.00 0.00 N ATOM 613 CA GLY A 37 -2.638 -18.266 -1.033 1.00 0.00 C ATOM 614 C GLY A 37 -3.183 -19.205 -2.096 1.00 0.00 C ATOM 615 O GLY A 37 -3.365 -20.402 -1.876 1.00 0.00 O ATOM 0 H GLY A 37 -2.811 -16.195 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.571 -18.105 -1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.753 -18.712 -0.045 1.00 0.00 H new ATOM 619 N GLY A 38 -3.463 -18.656 -3.264 1.00 0.00 N ATOM 620 CA GLY A 38 -4.044 -19.483 -4.317 1.00 0.00 C ATOM 621 C GLY A 38 -4.946 -18.616 -5.180 1.00 0.00 C ATOM 622 O GLY A 38 -5.304 -18.964 -6.305 1.00 0.00 O ATOM 0 H GLY A 38 -3.307 -17.678 -3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.256 -19.929 -4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.614 -20.304 -3.881 1.00 0.00 H new ATOM 626 N LYS A 39 -5.315 -17.465 -4.650 1.00 0.00 N ATOM 627 CA LYS A 39 -6.152 -16.559 -5.432 1.00 0.00 C ATOM 628 C LYS A 39 -5.903 -15.140 -4.947 1.00 0.00 C ATOM 629 O LYS A 39 -6.689 -14.563 -4.197 1.00 0.00 O ATOM 630 CB LYS A 39 -7.617 -16.949 -5.254 1.00 0.00 C ATOM 631 CG LYS A 39 -8.518 -16.073 -6.125 1.00 0.00 C ATOM 632 CD LYS A 39 -9.983 -16.516 -6.103 1.00 0.00 C ATOM 633 CE LYS A 39 -10.693 -16.196 -4.786 1.00 0.00 C ATOM 634 NZ LYS A 39 -10.335 -17.156 -3.730 1.00 0.00 N ATOM 0 H LYS A 39 -5.063 -17.138 -3.717 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.909 -16.622 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.754 -17.997 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.902 -16.845 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.451 -15.040 -5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.153 -16.094 -7.152 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.514 -16.030 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.033 -17.590 -6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.430 -15.188 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.772 -16.210 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.189 -17.426 -3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.911 -18.003 -4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.651 -16.718 -3.081 1.00 0.00 H new ATOM 648 N THR A 40 -4.789 -14.570 -5.368 1.00 0.00 N ATOM 649 CA THR A 40 -4.464 -13.222 -4.905 1.00 0.00 C ATOM 650 C THR A 40 -5.503 -12.240 -5.418 1.00 0.00 C ATOM 651 O THR A 40 -6.233 -12.510 -6.371 1.00 0.00 O ATOM 652 CB THR A 40 -3.069 -12.835 -5.396 1.00 0.00 C ATOM 653 OG1 THR A 40 -2.727 -11.560 -4.871 1.00 0.00 O ATOM 654 CG2 THR A 40 -3.017 -12.774 -6.921 1.00 0.00 C ATOM 0 H THR A 40 -4.114 -14.994 -6.004 1.00 0.00 H new ATOM 0 HA THR A 40 -4.471 -13.197 -3.815 1.00 0.00 H new ATOM 0 HB THR A 40 -2.363 -13.592 -5.055 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.832 -11.308 -5.181 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.012 -12.496 -7.240 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.272 -13.750 -7.333 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.730 -12.032 -7.280 1.00 0.00 H new ATOM 662 N GLY A 41 -5.581 -11.086 -4.780 1.00 0.00 N ATOM 663 CA GLY A 41 -6.582 -10.110 -5.202 1.00 0.00 C ATOM 664 C GLY A 41 -5.920 -8.956 -5.936 1.00 0.00 C ATOM 665 O GLY A 41 -4.912 -8.402 -5.498 1.00 0.00 O ATOM 0 H GLY A 41 -4.991 -10.804 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.315 -10.589 -5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.122 -9.735 -4.333 1.00 0.00 H new ATOM 669 N ARG A 42 -6.496 -8.577 -7.063 1.00 0.00 N ATOM 670 CA ARG A 42 -5.942 -7.442 -7.798 1.00 0.00 C ATOM 671 C ARG A 42 -6.845 -6.237 -7.592 1.00 0.00 C ATOM 672 O ARG A 42 -8.068 -6.351 -7.525 1.00 0.00 O ATOM 673 CB ARG A 42 -5.871 -7.791 -9.283 1.00 0.00 C ATOM 674 CG ARG A 42 -4.987 -9.015 -9.516 1.00 0.00 C ATOM 675 CD ARG A 42 -4.914 -9.331 -11.008 1.00 0.00 C ATOM 676 NE ARG A 42 -4.064 -10.496 -11.244 1.00 0.00 N ATOM 677 CZ ARG A 42 -3.887 -10.914 -12.485 1.00 0.00 C ATOM 678 NH1 ARG A 42 -4.472 -10.284 -13.487 1.00 0.00 N ATOM 679 NH2 ARG A 42 -3.123 -11.964 -12.724 1.00 0.00 N ATOM 0 H ARG A 42 -7.316 -9.015 -7.481 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.940 -7.212 -7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.874 -7.985 -9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.477 -6.942 -9.841 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.986 -8.830 -9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.388 -9.872 -8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.915 -9.520 -11.395 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.520 -8.471 -11.549 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.615 -10.978 -10.465 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.062 -9.472 -13.304 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.334 -10.609 -14.444 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.670 -12.452 -11.951 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.986 -12.287 -13.682 1.00 0.00 H new ATOM 693 N GLY A 43 -6.248 -5.064 -7.485 1.00 0.00 N ATOM 694 CA GLY A 43 -7.072 -3.874 -7.285 1.00 0.00 C ATOM 695 C GLY A 43 -6.340 -2.643 -7.794 1.00 0.00 C ATOM 696 O GLY A 43 -5.306 -2.732 -8.456 1.00 0.00 O ATOM 0 H GLY A 43 -5.241 -4.905 -7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.021 -3.986 -7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.305 -3.757 -6.227 1.00 0.00 H new ATOM 700 N ALA A 44 -6.872 -1.473 -7.490 1.00 0.00 N ATOM 701 CA ALA A 44 -6.210 -0.259 -7.955 1.00 0.00 C ATOM 702 C ALA A 44 -6.673 0.919 -7.115 1.00 0.00 C ATOM 703 O ALA A 44 -7.710 0.877 -6.455 1.00 0.00 O ATOM 704 CB ALA A 44 -6.556 -0.026 -9.424 1.00 0.00 C ATOM 0 H ALA A 44 -7.724 -1.334 -6.947 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.130 -0.364 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.063 0.881 -9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.217 -0.876 -10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.635 0.084 -9.531 1.00 0.00 H new ATOM 710 N VAL A 45 -5.902 1.991 -7.133 1.00 0.00 N ATOM 711 CA VAL A 45 -6.302 3.159 -6.355 1.00 0.00 C ATOM 712 C VAL A 45 -5.555 4.372 -6.890 1.00 0.00 C ATOM 713 O VAL A 45 -4.363 4.319 -7.187 1.00 0.00 O ATOM 714 CB VAL A 45 -6.003 2.911 -4.875 1.00 0.00 C ATOM 715 CG1 VAL A 45 -4.508 2.694 -4.647 1.00 0.00 C ATOM 716 CG2 VAL A 45 -6.479 4.093 -4.034 1.00 0.00 C ATOM 0 H VAL A 45 -5.030 2.083 -7.653 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.372 3.343 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.537 2.011 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.323 2.520 -3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.174 1.829 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.958 3.578 -4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.260 3.903 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.964 4.998 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.554 4.222 -4.163 1.00 0.00 H new ATOM 726 N SER A 46 -6.259 5.480 -7.038 1.00 0.00 N ATOM 727 CA SER A 46 -5.594 6.668 -7.565 1.00 0.00 C ATOM 728 C SER A 46 -4.569 7.159 -6.554 1.00 0.00 C ATOM 729 O SER A 46 -4.723 6.993 -5.346 1.00 0.00 O ATOM 730 CB SER A 46 -6.636 7.753 -7.828 1.00 0.00 C ATOM 731 OG SER A 46 -7.301 8.081 -6.617 1.00 0.00 O ATOM 0 H SER A 46 -7.248 5.587 -6.813 1.00 0.00 H new ATOM 0 HA SER A 46 -5.086 6.428 -8.499 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.156 8.639 -8.242 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.357 7.406 -8.568 1.00 0.00 H new ATOM 0 HG SER A 46 -7.968 8.779 -6.788 1.00 0.00 H new ATOM 737 N GLU A 47 -3.509 7.771 -7.049 1.00 0.00 N ATOM 738 CA GLU A 47 -2.469 8.242 -6.135 1.00 0.00 C ATOM 739 C GLU A 47 -2.648 9.730 -5.867 1.00 0.00 C ATOM 740 O GLU A 47 -1.719 10.428 -5.463 1.00 0.00 O ATOM 741 CB GLU A 47 -1.079 7.966 -6.713 1.00 0.00 C ATOM 742 CG GLU A 47 -0.745 8.824 -7.936 1.00 0.00 C ATOM 743 CD GLU A 47 -1.599 8.472 -9.145 1.00 0.00 C ATOM 744 OE1 GLU A 47 -1.299 7.464 -9.820 1.00 0.00 O ATOM 745 OE2 GLU A 47 -2.573 9.201 -9.426 1.00 0.00 O ATOM 0 H GLU A 47 -3.342 7.952 -8.039 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.560 7.701 -5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.331 8.143 -5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.011 6.913 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.888 9.876 -7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.308 8.696 -8.189 1.00 0.00 H new ATOM 752 N LYS A 48 -3.849 10.232 -6.083 1.00 0.00 N ATOM 753 CA LYS A 48 -4.071 11.656 -5.841 1.00 0.00 C ATOM 754 C LYS A 48 -4.279 11.889 -4.352 1.00 0.00 C ATOM 755 O LYS A 48 -4.050 12.981 -3.834 1.00 0.00 O ATOM 756 CB LYS A 48 -5.294 12.111 -6.636 1.00 0.00 C ATOM 757 CG LYS A 48 -5.555 13.605 -6.438 1.00 0.00 C ATOM 758 CD LYS A 48 -6.678 14.101 -7.349 1.00 0.00 C ATOM 759 CE LYS A 48 -8.023 13.461 -7.007 1.00 0.00 C ATOM 760 NZ LYS A 48 -8.391 13.767 -5.617 1.00 0.00 N ATOM 0 H LYS A 48 -4.659 9.706 -6.412 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.205 12.233 -6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.141 11.903 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.168 11.541 -6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.818 13.795 -5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.643 14.166 -6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.761 15.185 -7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.426 13.881 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.793 13.830 -7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.967 12.381 -7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.409 13.603 -5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.853 13.153 -4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.171 14.762 -5.411 1.00 0.00 H new ATOM 774 N ASP A 49 -4.714 10.860 -3.647 1.00 0.00 N ATOM 775 CA ASP A 49 -4.909 11.020 -2.209 1.00 0.00 C ATOM 776 C ASP A 49 -4.476 9.740 -1.511 1.00 0.00 C ATOM 777 O ASP A 49 -5.281 9.004 -0.943 1.00 0.00 O ATOM 778 CB ASP A 49 -6.381 11.313 -1.930 1.00 0.00 C ATOM 779 CG ASP A 49 -6.616 11.539 -0.445 1.00 0.00 C ATOM 780 OD1 ASP A 49 -6.308 12.644 0.052 1.00 0.00 O ATOM 781 OD2 ASP A 49 -7.112 10.613 0.233 1.00 0.00 O ATOM 0 H ASP A 49 -4.933 9.937 -4.023 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.312 11.851 -1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.693 12.194 -2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.994 10.481 -2.277 1.00 0.00 H new ATOM 786 N ALA A 50 -3.184 9.466 -1.556 1.00 0.00 N ATOM 787 CA ALA A 50 -2.692 8.244 -0.924 1.00 0.00 C ATOM 788 C ALA A 50 -1.876 8.632 0.307 1.00 0.00 C ATOM 789 O ALA A 50 -1.374 9.751 0.385 1.00 0.00 O ATOM 790 CB ALA A 50 -1.819 7.506 -1.936 1.00 0.00 C ATOM 0 H ALA A 50 -2.475 10.046 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.513 7.596 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.439 6.588 -1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.412 7.261 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.982 8.141 -2.227 1.00 0.00 H new ATOM 796 N PRO A 51 -1.714 7.745 1.282 1.00 0.00 N ATOM 797 CA PRO A 51 -0.923 8.053 2.471 1.00 0.00 C ATOM 798 C PRO A 51 0.452 8.600 2.118 1.00 0.00 C ATOM 799 O PRO A 51 0.956 8.424 1.009 1.00 0.00 O ATOM 800 CB PRO A 51 -0.833 6.684 3.141 1.00 0.00 C ATOM 801 CG PRO A 51 -2.100 5.952 2.701 1.00 0.00 C ATOM 802 CD PRO A 51 -2.330 6.421 1.266 1.00 0.00 C ATOM 0 HA PRO A 51 -1.360 8.828 3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.063 6.148 2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.786 6.777 4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.972 4.871 2.750 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.946 6.202 3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.859 5.760 0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.390 6.466 1.016 1.00 0.00 H new ATOM 810 N LYS A 52 1.074 9.284 3.062 1.00 0.00 N ATOM 811 CA LYS A 52 2.343 9.937 2.745 1.00 0.00 C ATOM 812 C LYS A 52 3.444 8.913 2.515 1.00 0.00 C ATOM 813 O LYS A 52 4.401 9.157 1.782 1.00 0.00 O ATOM 814 CB LYS A 52 2.731 10.858 3.899 1.00 0.00 C ATOM 815 CG LYS A 52 1.643 11.899 4.155 1.00 0.00 C ATOM 816 CD LYS A 52 2.054 12.819 5.302 1.00 0.00 C ATOM 817 CE LYS A 52 0.966 13.852 5.587 1.00 0.00 C ATOM 818 NZ LYS A 52 0.763 14.711 4.412 1.00 0.00 N ATOM 0 H LYS A 52 0.743 9.403 4.019 1.00 0.00 H new ATOM 0 HA LYS A 52 2.220 10.514 1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.895 10.268 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.672 11.358 3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.471 12.485 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.703 11.402 4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.244 12.228 6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.986 13.326 5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.034 13.348 5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.247 14.460 6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.235 15.562 4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.686 14.989 4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.224 14.191 3.690 1.00 0.00 H new ATOM 832 N GLU A 53 3.331 7.757 3.145 1.00 0.00 N ATOM 833 CA GLU A 53 4.392 6.762 2.997 1.00 0.00 C ATOM 834 C GLU A 53 4.518 6.327 1.542 1.00 0.00 C ATOM 835 O GLU A 53 5.615 6.111 1.031 1.00 0.00 O ATOM 836 CB GLU A 53 4.076 5.551 3.871 1.00 0.00 C ATOM 837 CG GLU A 53 3.967 5.939 5.344 1.00 0.00 C ATOM 838 CD GLU A 53 5.275 6.520 5.855 1.00 0.00 C ATOM 839 OE1 GLU A 53 6.281 5.780 5.913 1.00 0.00 O ATOM 840 OE2 GLU A 53 5.306 7.721 6.201 1.00 0.00 O ATOM 0 H GLU A 53 2.550 7.485 3.743 1.00 0.00 H new ATOM 0 HA GLU A 53 5.338 7.205 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.141 5.098 3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.855 4.799 3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.167 6.668 5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.699 5.063 5.935 1.00 0.00 H new ATOM 847 N LEU A 54 3.398 6.188 0.856 1.00 0.00 N ATOM 848 CA LEU A 54 3.480 5.749 -0.535 1.00 0.00 C ATOM 849 C LEU A 54 3.851 6.923 -1.432 1.00 0.00 C ATOM 850 O LEU A 54 4.384 6.747 -2.526 1.00 0.00 O ATOM 851 CB LEU A 54 2.136 5.163 -0.971 1.00 0.00 C ATOM 852 CG LEU A 54 1.753 3.913 -0.176 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.345 3.483 -0.578 1.00 0.00 C ATOM 854 CD2 LEU A 54 2.720 2.766 -0.460 1.00 0.00 C ATOM 0 H LEU A 54 2.459 6.362 1.213 1.00 0.00 H new ATOM 0 HA LEU A 54 4.250 4.982 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.359 5.918 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.179 4.915 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 54 1.796 4.150 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.062 2.592 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.357 4.287 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.323 3.262 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.425 1.890 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.696 2.525 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.730 3.063 -0.178 1.00 0.00 H new ATOM 866 N LEU A 55 3.579 8.137 -0.987 1.00 0.00 N ATOM 867 CA LEU A 55 3.913 9.283 -1.832 1.00 0.00 C ATOM 868 C LEU A 55 5.406 9.565 -1.748 1.00 0.00 C ATOM 869 O LEU A 55 6.014 10.085 -2.683 1.00 0.00 O ATOM 870 CB LEU A 55 3.128 10.512 -1.375 1.00 0.00 C ATOM 871 CG LEU A 55 1.620 10.337 -1.554 1.00 0.00 C ATOM 872 CD1 LEU A 55 0.901 11.523 -0.915 1.00 0.00 C ATOM 873 CD2 LEU A 55 1.248 10.272 -3.034 1.00 0.00 C ATOM 0 H LEU A 55 3.148 8.357 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 55 3.648 9.055 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.346 10.710 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.460 11.383 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 55 1.321 9.404 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.176 11.405 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.142 11.565 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.223 12.446 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.170 10.147 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.553 11.195 -3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.755 9.427 -3.500 1.00 0.00 H new ATOM 885 N GLN A 56 6.021 9.221 -0.631 1.00 0.00 N ATOM 886 CA GLN A 56 7.456 9.471 -0.513 1.00 0.00 C ATOM 887 C GLN A 56 8.231 8.345 -1.181 1.00 0.00 C ATOM 888 O GLN A 56 9.434 8.447 -1.421 1.00 0.00 O ATOM 889 CB GLN A 56 7.842 9.568 0.960 1.00 0.00 C ATOM 890 CG GLN A 56 7.203 10.795 1.608 1.00 0.00 C ATOM 891 CD GLN A 56 7.595 10.887 3.074 1.00 0.00 C ATOM 892 OE1 GLN A 56 8.662 10.439 3.490 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.726 11.475 3.877 1.00 0.00 N ATOM 0 H GLN A 56 5.578 8.786 0.178 1.00 0.00 H new ATOM 0 HA GLN A 56 7.700 10.411 -1.007 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.524 8.667 1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.926 9.625 1.054 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.519 11.697 1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.118 10.738 1.518 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.849 11.837 3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.932 11.567 4.872 1.00 0.00 H new ATOM 902 N MET A 57 7.553 7.257 -1.497 1.00 0.00 N ATOM 903 CA MET A 57 8.250 6.164 -2.170 1.00 0.00 C ATOM 904 C MET A 57 8.346 6.475 -3.655 1.00 0.00 C ATOM 905 O MET A 57 9.227 5.985 -4.360 1.00 0.00 O ATOM 906 CB MET A 57 7.480 4.864 -1.941 1.00 0.00 C ATOM 907 CG MET A 57 8.187 3.683 -2.606 1.00 0.00 C ATOM 908 SD MET A 57 9.865 3.532 -1.969 1.00 0.00 S ATOM 909 CE MET A 57 9.505 2.950 -0.304 1.00 0.00 C ATOM 0 H MET A 57 6.562 7.103 -1.311 1.00 0.00 H new ATOM 0 HA MET A 57 9.257 6.052 -1.768 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.383 4.679 -0.871 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.471 4.960 -2.341 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.633 2.763 -2.417 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.211 3.824 -3.687 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.401 2.503 0.127 1.00 0.00 H new ATOM 0 HE2 MET A 57 9.185 3.789 0.314 1.00 0.00 H new ATOM 0 HE3 MET A 57 8.710 2.205 -0.343 1.00 0.00 H new ATOM 919 N LEU A 58 7.434 7.299 -4.142 1.00 0.00 N ATOM 920 CA LEU A 58 7.476 7.646 -5.561 1.00 0.00 C ATOM 921 C LEU A 58 7.628 9.152 -5.696 1.00 0.00 C ATOM 922 O LEU A 58 6.925 9.808 -6.464 1.00 0.00 O ATOM 923 CB LEU A 58 6.181 7.195 -6.236 1.00 0.00 C ATOM 924 CG LEU A 58 5.955 5.688 -6.118 1.00 0.00 C ATOM 925 CD1 LEU A 58 4.592 5.341 -6.712 1.00 0.00 C ATOM 926 CD2 LEU A 58 7.036 4.911 -6.867 1.00 0.00 C ATOM 0 H LEU A 58 6.681 7.729 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 58 8.319 7.148 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.339 7.722 -5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.208 7.474 -7.289 1.00 0.00 H new ATOM 0 HG LEU A 58 5.996 5.413 -5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.423 4.267 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.812 5.873 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.567 5.635 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.851 3.842 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.016 5.185 -7.922 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.013 5.151 -6.448 1.00 0.00 H new ATOM 938 N GLU A 59 8.558 9.716 -4.947 1.00 0.00 N ATOM 939 CA GLU A 59 8.770 11.156 -5.051 1.00 0.00 C ATOM 940 C GLU A 59 10.217 11.457 -4.695 1.00 0.00 C ATOM 941 O GLU A 59 10.523 12.082 -3.680 1.00 0.00 O ATOM 942 CB GLU A 59 7.803 11.870 -4.107 1.00 0.00 C ATOM 943 CG GLU A 59 7.887 13.388 -4.260 1.00 0.00 C ATOM 944 CD GLU A 59 6.876 14.070 -3.353 1.00 0.00 C ATOM 945 OE1 GLU A 59 7.206 14.339 -2.179 1.00 0.00 O ATOM 946 OE2 GLU A 59 5.744 14.340 -3.811 1.00 0.00 O ATOM 0 H GLU A 59 9.159 9.227 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 59 8.579 11.509 -6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.784 11.539 -4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.029 11.594 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.893 13.729 -4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.700 13.666 -5.297 1.00 0.00 H new