USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 522 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 24:sc= 0.157 USER MOD Single : A 4 LYS NZ :NH3+ -135:sc= -0.576 (180deg=-2.72!) USER MOD Single : A 6 LYS NZ :NH3+ -136:sc= -1.98 (180deg=-4.06!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 136:sc= -0.608 (180deg=-2.78!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 167:sc=-0.00532 (180deg=-0.232) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= -0.0595 (180deg=-0.44) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -0.0421 (180deg=-0.317) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 37:sc= 0.893 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 115:sc= 0.33 USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.0316 (180deg=-0.455) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 57 MET CE :methyl 162:sc= -0.0372 (180deg=-0.445) USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= -0.0372 (180deg=-0.353) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= -0.0867 (180deg=-0.551) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.400 2.392 9.978 1.00 0.00 N ATOM 2 CA ALA A 1 -0.874 3.042 8.748 1.00 0.00 C ATOM 3 C ALA A 1 -1.359 1.983 7.773 1.00 0.00 C ATOM 4 O ALA A 1 -0.574 1.326 7.090 1.00 0.00 O ATOM 5 CB ALA A 1 0.269 3.842 8.129 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.067 3.116 10.647 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.179 1.854 10.409 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.382 1.746 9.750 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.699 3.717 8.979 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.078 4.326 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.607 4.600 8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.096 3.172 7.893 1.00 0.00 H new ATOM 13 N THR A 2 -2.667 1.808 7.705 1.00 0.00 N ATOM 14 CA THR A 2 -3.206 0.825 6.767 1.00 0.00 C ATOM 15 C THR A 2 -4.307 1.485 5.953 1.00 0.00 C ATOM 16 O THR A 2 -5.176 2.178 6.481 1.00 0.00 O ATOM 17 CB THR A 2 -3.775 -0.364 7.537 1.00 0.00 C ATOM 18 OG1 THR A 2 -4.739 0.100 8.471 1.00 0.00 O ATOM 19 CG2 THR A 2 -2.672 -1.111 8.283 1.00 0.00 C ATOM 0 H THR A 2 -3.358 2.310 8.263 1.00 0.00 H new ATOM 0 HA THR A 2 -2.416 0.470 6.105 1.00 0.00 H new ATOM 0 HB THR A 2 -4.237 -1.048 6.825 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.092 0.965 8.175 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.104 -1.953 8.823 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.934 -1.478 7.569 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.189 -0.436 8.990 1.00 0.00 H new ATOM 27 N VAL A 3 -4.281 1.273 4.649 1.00 0.00 N ATOM 28 CA VAL A 3 -5.328 1.865 3.821 1.00 0.00 C ATOM 29 C VAL A 3 -6.554 0.970 3.890 1.00 0.00 C ATOM 30 O VAL A 3 -6.510 -0.214 3.560 1.00 0.00 O ATOM 31 CB VAL A 3 -4.832 1.994 2.381 1.00 0.00 C ATOM 32 CG1 VAL A 3 -5.954 2.497 1.476 1.00 0.00 C ATOM 33 CG2 VAL A 3 -3.670 2.983 2.325 1.00 0.00 C ATOM 0 H VAL A 3 -3.581 0.721 4.153 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.585 2.861 4.182 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.504 1.013 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.586 2.584 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.786 1.794 1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.292 3.473 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.318 3.073 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.004 3.958 2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.857 2.625 2.957 1.00 0.00 H new ATOM 43 N LYS A 4 -7.664 1.534 4.330 1.00 0.00 N ATOM 44 CA LYS A 4 -8.874 0.724 4.451 1.00 0.00 C ATOM 45 C LYS A 4 -9.841 1.097 3.337 1.00 0.00 C ATOM 46 O LYS A 4 -10.777 1.872 3.526 1.00 0.00 O ATOM 47 CB LYS A 4 -9.506 0.984 5.815 1.00 0.00 C ATOM 48 CG LYS A 4 -8.558 0.545 6.930 1.00 0.00 C ATOM 49 CD LYS A 4 -9.070 0.896 8.331 1.00 0.00 C ATOM 50 CE LYS A 4 -10.240 0.021 8.788 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.502 0.435 8.158 1.00 0.00 N ATOM 0 H LYS A 4 -7.759 2.512 4.602 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.632 -0.335 4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.737 2.044 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.449 0.443 5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.406 -0.532 6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.586 1.014 6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.252 0.797 9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.380 1.941 8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.034 -1.021 8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.337 0.079 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.255 0.465 8.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.387 1.379 7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.759 -0.246 7.415 1.00 0.00 H new ATOM 65 N PHE A 5 -9.620 0.540 2.161 1.00 0.00 N ATOM 66 CA PHE A 5 -10.524 0.845 1.054 1.00 0.00 C ATOM 67 C PHE A 5 -11.731 -0.076 1.134 1.00 0.00 C ATOM 68 O PHE A 5 -11.607 -1.282 1.343 1.00 0.00 O ATOM 69 CB PHE A 5 -9.792 0.673 -0.278 1.00 0.00 C ATOM 70 CG PHE A 5 -9.350 -0.755 -0.512 1.00 0.00 C ATOM 71 CD1 PHE A 5 -8.196 -1.200 0.005 1.00 0.00 C ATOM 72 CD2 PHE A 5 -10.096 -1.567 -1.275 1.00 0.00 C ATOM 73 CE1 PHE A 5 -7.798 -2.458 -0.225 1.00 0.00 C ATOM 74 CE2 PHE A 5 -9.696 -2.825 -1.506 1.00 0.00 C ATOM 75 CZ PHE A 5 -8.548 -3.271 -0.980 1.00 0.00 C ATOM 0 H PHE A 5 -8.857 -0.101 1.945 1.00 0.00 H new ATOM 0 HA PHE A 5 -10.862 1.879 1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -10.446 0.986 -1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.921 1.328 -0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.586 -0.543 0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -11.020 -1.207 -1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.872 -2.817 0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -10.300 -3.480 -2.117 1.00 0.00 H new ATOM 0 HZ PHE A 5 -8.227 -4.286 -1.165 1.00 0.00 H new ATOM 85 N LYS A 6 -12.916 0.489 0.976 1.00 0.00 N ATOM 86 CA LYS A 6 -14.115 -0.342 1.068 1.00 0.00 C ATOM 87 C LYS A 6 -14.961 -0.150 -0.181 1.00 0.00 C ATOM 88 O LYS A 6 -14.651 0.661 -1.052 1.00 0.00 O ATOM 89 CB LYS A 6 -14.871 0.015 2.351 1.00 0.00 C ATOM 90 CG LYS A 6 -15.029 1.525 2.559 1.00 0.00 C ATOM 91 CD LYS A 6 -16.119 2.200 1.720 1.00 0.00 C ATOM 92 CE LYS A 6 -17.533 1.923 2.235 1.00 0.00 C ATOM 93 NZ LYS A 6 -17.980 0.562 1.907 1.00 0.00 N ATOM 0 H LYS A 6 -13.077 1.479 0.791 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.853 -1.399 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.858 -0.447 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.344 -0.410 3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -15.241 1.708 3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.076 2.005 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.947 3.276 1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -16.041 1.855 0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.559 2.063 3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.225 2.646 1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.960 0.593 1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.365 0.163 1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.932 -0.034 2.758 1.00 0.00 H new ATOM 107 N TYR A 7 -16.040 -0.907 -0.280 1.00 0.00 N ATOM 108 CA TYR A 7 -16.882 -0.783 -1.468 1.00 0.00 C ATOM 109 C TYR A 7 -18.346 -0.783 -1.054 1.00 0.00 C ATOM 110 O TYR A 7 -18.986 0.264 -0.967 1.00 0.00 O ATOM 111 CB TYR A 7 -16.580 -1.938 -2.421 1.00 0.00 C ATOM 112 CG TYR A 7 -17.427 -1.831 -3.667 1.00 0.00 C ATOM 113 CD1 TYR A 7 -17.265 -0.793 -4.500 1.00 0.00 C ATOM 114 CD2 TYR A 7 -18.347 -2.768 -3.938 1.00 0.00 C ATOM 115 CE1 TYR A 7 -18.021 -0.692 -5.601 1.00 0.00 C ATOM 116 CE2 TYR A 7 -19.103 -2.666 -5.040 1.00 0.00 C ATOM 117 CZ TYR A 7 -18.941 -1.628 -5.871 1.00 0.00 C ATOM 118 OH TYR A 7 -19.717 -1.524 -6.996 1.00 0.00 O ATOM 0 H TYR A 7 -16.349 -1.588 0.413 1.00 0.00 H new ATOM 0 HA TYR A 7 -16.672 0.155 -1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -15.524 -1.928 -2.690 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -16.773 -2.888 -1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -16.524 -0.038 -4.283 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -18.479 -3.605 -3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -17.889 0.144 -6.272 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -19.843 -3.421 -5.258 1.00 0.00 H new ATOM 0 HH TYR A 7 -20.332 -2.286 -7.041 1.00 0.00 H new ATOM 128 N LYS A 8 -18.894 -1.957 -0.796 1.00 0.00 N ATOM 129 CA LYS A 8 -20.300 -2.009 -0.398 1.00 0.00 C ATOM 130 C LYS A 8 -20.399 -2.422 1.062 1.00 0.00 C ATOM 131 O LYS A 8 -20.654 -1.607 1.948 1.00 0.00 O ATOM 132 CB LYS A 8 -21.042 -3.015 -1.275 1.00 0.00 C ATOM 133 CG LYS A 8 -22.510 -3.091 -0.860 1.00 0.00 C ATOM 134 CD LYS A 8 -23.292 -4.165 -1.620 1.00 0.00 C ATOM 135 CE LYS A 8 -23.601 -3.777 -3.068 1.00 0.00 C ATOM 136 NZ LYS A 8 -22.421 -3.919 -3.933 1.00 0.00 N ATOM 0 H LYS A 8 -18.416 -2.856 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 8 -20.752 -1.025 -0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -20.967 -2.721 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -20.579 -3.998 -1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -22.569 -3.295 0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -22.979 -2.121 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -22.721 -5.093 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -24.227 -4.363 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -24.408 -4.403 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -23.954 -2.746 -3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.697 -4.377 -4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.023 -2.979 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.706 -4.501 -3.452 1.00 0.00 H new ATOM 150 N GLY A 9 -20.202 -3.703 1.320 1.00 0.00 N ATOM 151 CA GLY A 9 -20.304 -4.173 2.700 1.00 0.00 C ATOM 152 C GLY A 9 -19.117 -5.061 3.035 1.00 0.00 C ATOM 153 O GLY A 9 -19.234 -6.054 3.750 1.00 0.00 O ATOM 0 H GLY A 9 -19.979 -4.416 0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.336 -3.323 3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -21.233 -4.727 2.837 1.00 0.00 H new ATOM 157 N GLU A 10 -17.957 -4.708 2.511 1.00 0.00 N ATOM 158 CA GLU A 10 -16.781 -5.529 2.787 1.00 0.00 C ATOM 159 C GLU A 10 -15.552 -4.636 2.836 1.00 0.00 C ATOM 160 O GLU A 10 -15.092 -4.111 1.822 1.00 0.00 O ATOM 161 CB GLU A 10 -16.640 -6.578 1.687 1.00 0.00 C ATOM 162 CG GLU A 10 -15.431 -7.481 1.926 1.00 0.00 C ATOM 163 CD GLU A 10 -15.562 -8.231 3.241 1.00 0.00 C ATOM 164 OE1 GLU A 10 -16.184 -9.315 3.258 1.00 0.00 O ATOM 165 OE2 GLU A 10 -15.042 -7.742 4.268 1.00 0.00 O ATOM 0 H GLU A 10 -17.800 -3.895 1.916 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.886 -6.035 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.545 -7.184 1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.540 -6.083 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.336 -8.192 1.106 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.521 -6.881 1.935 1.00 0.00 H new ATOM 172 N GLU A 11 -15.006 -4.460 4.025 1.00 0.00 N ATOM 173 CA GLU A 11 -13.809 -3.630 4.138 1.00 0.00 C ATOM 174 C GLU A 11 -12.581 -4.499 3.926 1.00 0.00 C ATOM 175 O GLU A 11 -12.570 -5.688 4.241 1.00 0.00 O ATOM 176 CB GLU A 11 -13.771 -2.971 5.516 1.00 0.00 C ATOM 177 CG GLU A 11 -13.740 -4.010 6.636 1.00 0.00 C ATOM 178 CD GLU A 11 -13.705 -3.324 7.992 1.00 0.00 C ATOM 179 OE1 GLU A 11 -12.596 -3.045 8.496 1.00 0.00 O ATOM 180 OE2 GLU A 11 -14.786 -3.059 8.561 1.00 0.00 O ATOM 0 H GLU A 11 -15.351 -4.860 4.898 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.824 -2.846 3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.892 -2.330 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.644 -2.330 5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.617 -4.653 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.866 -4.651 6.523 1.00 0.00 H new ATOM 187 N LEU A 12 -11.529 -3.908 3.386 1.00 0.00 N ATOM 188 CA LEU A 12 -10.306 -4.683 3.181 1.00 0.00 C ATOM 189 C LEU A 12 -9.127 -3.857 3.668 1.00 0.00 C ATOM 190 O LEU A 12 -9.129 -2.628 3.606 1.00 0.00 O ATOM 191 CB LEU A 12 -10.134 -5.007 1.697 1.00 0.00 C ATOM 192 CG LEU A 12 -11.231 -5.929 1.161 1.00 0.00 C ATOM 193 CD1 LEU A 12 -11.073 -6.070 -0.351 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.138 -7.314 1.798 1.00 0.00 C ATOM 0 H LEU A 12 -11.488 -2.933 3.090 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.363 -5.620 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.134 -4.079 1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.163 -5.477 1.543 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.200 -5.493 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.852 -6.726 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.159 -5.089 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.095 -6.495 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.928 -7.951 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.168 -7.755 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.252 -7.226 2.878 1.00 0.00 H new ATOM 206 N GLN A 13 -8.107 -4.533 4.167 1.00 0.00 N ATOM 207 CA GLN A 13 -6.956 -3.801 4.688 1.00 0.00 C ATOM 208 C GLN A 13 -5.730 -4.131 3.852 1.00 0.00 C ATOM 209 O GLN A 13 -5.649 -5.171 3.201 1.00 0.00 O ATOM 210 CB GLN A 13 -6.716 -4.204 6.141 1.00 0.00 C ATOM 211 CG GLN A 13 -7.920 -3.854 7.012 1.00 0.00 C ATOM 212 CD GLN A 13 -7.654 -4.228 8.462 1.00 0.00 C ATOM 213 OE1 GLN A 13 -7.367 -5.377 8.791 1.00 0.00 O ATOM 214 NE2 GLN A 13 -7.748 -3.253 9.346 1.00 0.00 N ATOM 0 H GLN A 13 -8.046 -5.550 4.224 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.147 -2.729 4.639 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.521 -5.275 6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.829 -3.698 6.521 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.132 -2.787 6.938 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.803 -4.380 6.650 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.988 -2.310 9.041 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.581 -3.443 10.334 1.00 0.00 H new ATOM 223 N VAL A 14 -4.754 -3.242 3.869 1.00 0.00 N ATOM 224 CA VAL A 14 -3.537 -3.520 3.110 1.00 0.00 C ATOM 225 C VAL A 14 -2.409 -2.660 3.660 1.00 0.00 C ATOM 226 O VAL A 14 -2.560 -1.463 3.898 1.00 0.00 O ATOM 227 CB VAL A 14 -3.789 -3.251 1.624 1.00 0.00 C ATOM 228 CG1 VAL A 14 -4.173 -1.793 1.384 1.00 0.00 C ATOM 229 CG2 VAL A 14 -2.545 -3.592 0.810 1.00 0.00 C ATOM 0 H VAL A 14 -4.769 -2.356 4.375 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.249 -4.566 3.211 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.618 -3.883 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.346 -1.633 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.082 -1.560 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.366 -1.144 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.736 -3.397 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.710 -2.978 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.299 -4.645 0.945 1.00 0.00 H new ATOM 239 N ASP A 15 -1.261 -3.274 3.886 1.00 0.00 N ATOM 240 CA ASP A 15 -0.147 -2.509 4.439 1.00 0.00 C ATOM 241 C ASP A 15 0.639 -1.874 3.300 1.00 0.00 C ATOM 242 O ASP A 15 0.629 -2.350 2.165 1.00 0.00 O ATOM 243 CB ASP A 15 0.736 -3.444 5.262 1.00 0.00 C ATOM 244 CG ASP A 15 -0.062 -4.062 6.399 1.00 0.00 C ATOM 245 OD1 ASP A 15 -0.715 -5.105 6.179 1.00 0.00 O ATOM 246 OD2 ASP A 15 -0.038 -3.508 7.520 1.00 0.00 O ATOM 0 H ASP A 15 -1.074 -4.260 3.706 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.513 -1.714 5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.139 -4.230 4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.586 -2.892 5.664 1.00 0.00 H new ATOM 251 N ILE A 16 1.318 -0.780 3.595 1.00 0.00 N ATOM 252 CA ILE A 16 2.034 -0.071 2.536 1.00 0.00 C ATOM 253 C ILE A 16 3.143 -0.958 1.992 1.00 0.00 C ATOM 254 O ILE A 16 3.382 -1.023 0.788 1.00 0.00 O ATOM 255 CB ILE A 16 2.635 1.231 3.076 1.00 0.00 C ATOM 256 CG1 ILE A 16 1.586 2.339 3.213 1.00 0.00 C ATOM 257 CG2 ILE A 16 3.707 1.733 2.110 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.636 2.119 4.388 1.00 0.00 C ATOM 0 H ILE A 16 1.392 -0.369 4.526 1.00 0.00 H new ATOM 0 HA ILE A 16 1.333 0.172 1.738 1.00 0.00 H new ATOM 0 HB ILE A 16 3.048 1.009 4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.091 3.297 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.007 2.400 2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.136 2.659 2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.491 0.982 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.259 1.916 1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.083 2.937 4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.106 1.176 4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.207 2.087 5.316 1.00 0.00 H new ATOM 270 N SER A 17 3.850 -1.640 2.877 1.00 0.00 N ATOM 271 CA SER A 17 4.987 -2.432 2.410 1.00 0.00 C ATOM 272 C SER A 17 4.538 -3.835 2.031 1.00 0.00 C ATOM 273 O SER A 17 5.346 -4.700 1.696 1.00 0.00 O ATOM 274 CB SER A 17 6.031 -2.501 3.521 1.00 0.00 C ATOM 275 OG SER A 17 6.454 -1.190 3.863 1.00 0.00 O ATOM 0 H SER A 17 3.673 -1.667 3.881 1.00 0.00 H new ATOM 0 HA SER A 17 5.417 -1.960 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.612 -2.998 4.396 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.885 -3.095 3.195 1.00 0.00 H new ATOM 0 HG SER A 17 7.123 -1.238 4.578 1.00 0.00 H new ATOM 281 N LYS A 18 3.241 -4.078 2.080 1.00 0.00 N ATOM 282 CA LYS A 18 2.757 -5.412 1.735 1.00 0.00 C ATOM 283 C LYS A 18 2.437 -5.441 0.246 1.00 0.00 C ATOM 284 O LYS A 18 2.350 -6.494 -0.384 1.00 0.00 O ATOM 285 CB LYS A 18 1.515 -5.704 2.577 1.00 0.00 C ATOM 286 CG LYS A 18 1.482 -7.148 3.079 1.00 0.00 C ATOM 287 CD LYS A 18 1.379 -8.158 1.940 1.00 0.00 C ATOM 288 CE LYS A 18 1.296 -9.576 2.501 1.00 0.00 C ATOM 289 NZ LYS A 18 1.193 -10.543 1.398 1.00 0.00 N ATOM 0 H LYS A 18 2.524 -3.402 2.344 1.00 0.00 H new ATOM 0 HA LYS A 18 3.507 -6.175 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.488 -5.025 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.622 -5.507 1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.383 -7.349 3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.635 -7.276 3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.498 -7.946 1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.245 -8.068 1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.178 -9.791 3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.431 -9.667 3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.357 -11.503 1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.243 -10.490 0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.905 -10.321 0.674 1.00 0.00 H new ATOM 303 N ILE A 19 2.259 -4.269 -0.337 1.00 0.00 N ATOM 304 CA ILE A 19 1.940 -4.231 -1.761 1.00 0.00 C ATOM 305 C ILE A 19 3.167 -4.669 -2.548 1.00 0.00 C ATOM 306 O ILE A 19 4.268 -4.157 -2.358 1.00 0.00 O ATOM 307 CB ILE A 19 1.538 -2.809 -2.157 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.395 -2.325 -1.260 1.00 0.00 C ATOM 309 CG2 ILE A 19 1.115 -2.799 -3.626 1.00 0.00 C ATOM 310 CD1 ILE A 19 -0.052 -0.903 -1.602 1.00 0.00 C ATOM 0 H ILE A 19 2.325 -3.363 0.126 1.00 0.00 H new ATOM 0 HA ILE A 19 1.109 -4.902 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 19 2.384 -2.134 -2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.453 -3.003 -1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.714 -2.362 -0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.827 -1.788 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.947 -3.131 -4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.268 -3.471 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.864 -0.607 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.787 -0.218 -1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.398 -0.869 -2.635 1.00 0.00 H new ATOM 322 N LYS A 20 2.981 -5.625 -3.440 1.00 0.00 N ATOM 323 CA LYS A 20 4.123 -6.088 -4.228 1.00 0.00 C ATOM 324 C LYS A 20 3.806 -5.942 -5.708 1.00 0.00 C ATOM 325 O LYS A 20 2.709 -6.244 -6.171 1.00 0.00 O ATOM 326 CB LYS A 20 4.404 -7.549 -3.893 1.00 0.00 C ATOM 327 CG LYS A 20 4.736 -7.697 -2.410 1.00 0.00 C ATOM 328 CD LYS A 20 4.958 -9.159 -2.023 1.00 0.00 C ATOM 329 CE LYS A 20 6.205 -9.737 -2.690 1.00 0.00 C ATOM 330 NZ LYS A 20 6.413 -11.118 -2.235 1.00 0.00 N ATOM 0 H LYS A 20 2.092 -6.084 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 20 5.004 -5.491 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.536 -8.160 -4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.234 -7.915 -4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.631 -7.119 -2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.925 -7.282 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.055 -9.238 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.086 -9.748 -2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.094 -9.714 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.075 -9.128 -2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.262 -11.509 -2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.538 -11.128 -1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.586 -11.696 -2.490 1.00 0.00 H new ATOM 344 N LYS A 21 4.779 -5.472 -6.469 1.00 0.00 N ATOM 345 CA LYS A 21 4.536 -5.306 -7.900 1.00 0.00 C ATOM 346 C LYS A 21 3.684 -4.067 -8.123 1.00 0.00 C ATOM 347 O LYS A 21 2.672 -3.847 -7.460 1.00 0.00 O ATOM 348 CB LYS A 21 3.822 -6.542 -8.440 1.00 0.00 C ATOM 349 CG LYS A 21 4.680 -7.787 -8.218 1.00 0.00 C ATOM 350 CD LYS A 21 3.955 -9.059 -8.657 1.00 0.00 C ATOM 351 CE LYS A 21 3.685 -9.081 -10.161 1.00 0.00 C ATOM 352 NZ LYS A 21 4.949 -8.992 -10.904 1.00 0.00 N ATOM 0 H LYS A 21 5.709 -5.207 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 21 5.483 -5.187 -8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.860 -6.661 -7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.618 -6.417 -9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.613 -7.690 -8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.944 -7.864 -7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.553 -9.928 -8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.011 -9.141 -8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.160 -9.997 -10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.035 -8.249 -10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.799 -9.308 -11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.282 -8.007 -10.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.662 -9.598 -10.450 1.00 0.00 H new ATOM 366 N VAL A 22 4.091 -3.240 -9.068 1.00 0.00 N ATOM 367 CA VAL A 22 3.318 -2.026 -9.318 1.00 0.00 C ATOM 368 C VAL A 22 3.700 -1.476 -10.685 1.00 0.00 C ATOM 369 O VAL A 22 4.868 -1.448 -11.069 1.00 0.00 O ATOM 370 CB VAL A 22 3.600 -1.015 -8.203 1.00 0.00 C ATOM 371 CG1 VAL A 22 5.082 -0.646 -8.156 1.00 0.00 C ATOM 372 CG2 VAL A 22 2.772 0.252 -8.403 1.00 0.00 C ATOM 0 H VAL A 22 4.915 -3.371 -9.655 1.00 0.00 H new ATOM 0 HA VAL A 22 2.249 -2.237 -9.319 1.00 0.00 H new ATOM 0 HB VAL A 22 3.323 -1.484 -7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.253 0.073 -7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.674 -1.542 -7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.378 -0.205 -9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.987 0.958 -7.600 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.025 0.705 -9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.712 -0.000 -8.390 1.00 0.00 H new ATOM 382 N TRP A 23 2.707 -1.041 -11.440 1.00 0.00 N ATOM 383 CA TRP A 23 3.013 -0.493 -12.759 1.00 0.00 C ATOM 384 C TRP A 23 2.052 0.648 -13.056 1.00 0.00 C ATOM 385 O TRP A 23 0.838 0.537 -12.887 1.00 0.00 O ATOM 386 CB TRP A 23 2.909 -1.595 -13.812 1.00 0.00 C ATOM 387 CG TRP A 23 1.513 -2.168 -13.892 1.00 0.00 C ATOM 388 CD1 TRP A 23 0.499 -1.768 -14.765 1.00 0.00 C ATOM 389 CD2 TRP A 23 1.001 -3.219 -13.177 1.00 0.00 C ATOM 390 NE1 TRP A 23 -0.639 -2.564 -14.588 1.00 0.00 N ATOM 391 CE2 TRP A 23 -0.266 -3.451 -13.589 1.00 0.00 C ATOM 392 CE3 TRP A 23 1.577 -3.955 -12.232 1.00 0.00 C ATOM 393 CZ2 TRP A 23 -0.987 -4.438 -13.065 1.00 0.00 C ATOM 394 CZ3 TRP A 23 0.848 -4.947 -11.689 1.00 0.00 C ATOM 395 CH2 TRP A 23 -0.415 -5.188 -12.104 1.00 0.00 C ATOM 0 H TRP A 23 1.720 -1.052 -11.182 1.00 0.00 H new ATOM 0 HA TRP A 23 4.031 -0.105 -12.780 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.194 -1.195 -14.785 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.615 -2.391 -13.575 1.00 0.00 H new ATOM 0 HD1 TRP A 23 0.581 -0.959 -15.476 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -1.532 -2.505 -15.078 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.591 -3.764 -11.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.996 -4.631 -13.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.279 -5.559 -10.910 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.975 -5.996 -11.657 1.00 0.00 H new ATOM 406 N ARG A 24 2.602 1.773 -13.479 1.00 0.00 N ATOM 407 CA ARG A 24 1.753 2.944 -13.683 1.00 0.00 C ATOM 408 C ARG A 24 1.337 3.041 -15.142 1.00 0.00 C ATOM 409 O ARG A 24 2.162 3.036 -16.055 1.00 0.00 O ATOM 410 CB ARG A 24 2.532 4.193 -13.284 1.00 0.00 C ATOM 411 CG ARG A 24 2.986 4.091 -11.828 1.00 0.00 C ATOM 412 CD ARG A 24 3.801 5.315 -11.413 1.00 0.00 C ATOM 413 NE ARG A 24 2.987 6.522 -11.536 1.00 0.00 N ATOM 414 CZ ARG A 24 3.521 7.687 -11.219 1.00 0.00 C ATOM 415 NH1 ARG A 24 4.771 7.752 -10.798 1.00 0.00 N ATOM 416 NH2 ARG A 24 2.804 8.791 -11.323 1.00 0.00 N ATOM 0 H ARG A 24 3.593 1.905 -13.683 1.00 0.00 H new ATOM 0 HA ARG A 24 0.856 2.855 -13.071 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.398 4.313 -13.935 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.908 5.077 -13.417 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.115 3.994 -11.179 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.585 3.190 -11.694 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.145 5.202 -10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.689 5.400 -12.039 1.00 0.00 H new ATOM 0 HE ARG A 24 2.022 6.465 -11.861 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.327 6.901 -10.717 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.181 8.654 -10.554 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.838 8.743 -11.648 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.216 9.692 -11.078 1.00 0.00 H new ATOM 430 N VAL A 25 0.040 3.151 -15.370 1.00 0.00 N ATOM 431 CA VAL A 25 -0.428 3.315 -16.744 1.00 0.00 C ATOM 432 C VAL A 25 -1.870 3.803 -16.708 1.00 0.00 C ATOM 433 O VAL A 25 -2.722 3.260 -16.007 1.00 0.00 O ATOM 434 CB VAL A 25 -0.295 1.992 -17.502 1.00 0.00 C ATOM 435 CG1 VAL A 25 -1.119 0.888 -16.844 1.00 0.00 C ATOM 436 CG2 VAL A 25 -0.745 2.167 -18.950 1.00 0.00 C ATOM 0 H VAL A 25 -0.687 3.132 -14.655 1.00 0.00 H new ATOM 0 HA VAL A 25 0.178 4.052 -17.271 1.00 0.00 H new ATOM 0 HB VAL A 25 0.755 1.700 -17.476 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.002 -0.038 -17.407 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.774 0.737 -15.821 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.170 1.176 -16.833 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.646 1.219 -19.479 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.787 2.487 -18.971 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.124 2.920 -19.435 1.00 0.00 H new ATOM 446 N GLY A 26 -2.156 4.850 -17.458 1.00 0.00 N ATOM 447 CA GLY A 26 -3.525 5.359 -17.461 1.00 0.00 C ATOM 448 C GLY A 26 -3.734 6.314 -16.298 1.00 0.00 C ATOM 449 O GLY A 26 -2.802 6.940 -15.797 1.00 0.00 O ATOM 0 H GLY A 26 -1.495 5.351 -18.051 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.728 5.871 -18.402 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.229 4.530 -17.391 1.00 0.00 H new ATOM 453 N LYS A 27 -4.974 6.438 -15.863 1.00 0.00 N ATOM 454 CA LYS A 27 -5.248 7.360 -14.765 1.00 0.00 C ATOM 455 C LYS A 27 -4.957 6.683 -13.436 1.00 0.00 C ATOM 456 O LYS A 27 -3.943 6.937 -12.786 1.00 0.00 O ATOM 457 CB LYS A 27 -6.717 7.766 -14.809 1.00 0.00 C ATOM 458 CG LYS A 27 -7.027 8.537 -16.090 1.00 0.00 C ATOM 459 CD LYS A 27 -8.521 8.835 -16.212 1.00 0.00 C ATOM 460 CE LYS A 27 -9.030 9.718 -15.075 1.00 0.00 C ATOM 461 NZ LYS A 27 -8.305 10.997 -15.066 1.00 0.00 N ATOM 0 H LYS A 27 -5.782 5.936 -16.232 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.614 8.240 -14.867 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.346 6.878 -14.752 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.955 8.382 -13.942 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.466 9.471 -16.099 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.698 7.959 -16.953 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.715 9.326 -17.165 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.077 7.898 -16.218 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.099 9.897 -15.194 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.897 9.209 -14.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.806 11.675 -14.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.343 10.848 -14.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.253 11.373 -16.034 1.00 0.00 H new ATOM 475 N MET A 28 -5.866 5.827 -13.008 1.00 0.00 N ATOM 476 CA MET A 28 -5.694 5.212 -11.695 1.00 0.00 C ATOM 477 C MET A 28 -4.524 4.244 -11.746 1.00 0.00 C ATOM 478 O MET A 28 -4.304 3.543 -12.733 1.00 0.00 O ATOM 479 CB MET A 28 -6.969 4.476 -11.283 1.00 0.00 C ATOM 480 CG MET A 28 -8.155 5.430 -11.121 1.00 0.00 C ATOM 481 SD MET A 28 -8.738 5.993 -12.728 1.00 0.00 S ATOM 482 CE MET A 28 -10.095 7.043 -12.185 1.00 0.00 C ATOM 0 H MET A 28 -6.701 5.546 -13.522 1.00 0.00 H new ATOM 0 HA MET A 28 -5.492 5.988 -10.957 1.00 0.00 H new ATOM 0 HB2 MET A 28 -7.210 3.722 -12.032 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.796 3.949 -10.344 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.963 4.927 -10.590 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.860 6.286 -10.515 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.583 7.485 -13.054 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.817 6.446 -11.628 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.708 7.835 -11.544 1.00 0.00 H new ATOM 492 N ILE A 29 -3.753 4.204 -10.674 1.00 0.00 N ATOM 493 CA ILE A 29 -2.589 3.322 -10.673 1.00 0.00 C ATOM 494 C ILE A 29 -3.016 1.945 -10.186 1.00 0.00 C ATOM 495 O ILE A 29 -3.692 1.803 -9.169 1.00 0.00 O ATOM 496 CB ILE A 29 -1.511 3.905 -9.758 1.00 0.00 C ATOM 497 CG1 ILE A 29 -1.184 5.355 -10.133 1.00 0.00 C ATOM 498 CG2 ILE A 29 -0.250 3.046 -9.821 1.00 0.00 C ATOM 499 CD1 ILE A 29 -0.726 5.511 -11.584 1.00 0.00 C ATOM 0 H ILE A 29 -3.898 4.746 -9.822 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.180 3.234 -11.680 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.896 3.902 -8.738 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.066 5.974 -9.968 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.404 5.728 -9.470 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.512 3.469 -9.166 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.484 2.032 -9.497 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.124 3.023 -10.845 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.510 6.560 -11.787 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.173 4.917 -11.748 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.514 5.167 -12.253 1.00 0.00 H new ATOM 511 N SER A 30 -2.627 0.916 -10.918 1.00 0.00 N ATOM 512 CA SER A 30 -3.040 -0.428 -10.521 1.00 0.00 C ATOM 513 C SER A 30 -1.929 -1.091 -9.723 1.00 0.00 C ATOM 514 O SER A 30 -0.780 -0.651 -9.717 1.00 0.00 O ATOM 515 CB SER A 30 -3.346 -1.244 -11.774 1.00 0.00 C ATOM 516 OG SER A 30 -4.390 -0.621 -12.507 1.00 0.00 O ATOM 0 H SER A 30 -2.050 0.972 -11.757 1.00 0.00 H new ATOM 0 HA SER A 30 -3.933 -0.372 -9.898 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.453 -1.326 -12.393 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.637 -2.257 -11.498 1.00 0.00 H new ATOM 0 HG SER A 30 -4.583 -1.146 -13.312 1.00 0.00 H new ATOM 522 N PHE A 31 -2.272 -2.166 -9.037 1.00 0.00 N ATOM 523 CA PHE A 31 -1.258 -2.855 -8.242 1.00 0.00 C ATOM 524 C PHE A 31 -1.804 -4.213 -7.830 1.00 0.00 C ATOM 525 O PHE A 31 -2.969 -4.534 -8.062 1.00 0.00 O ATOM 526 CB PHE A 31 -0.894 -2.019 -7.013 1.00 0.00 C ATOM 527 CG PHE A 31 -2.099 -1.729 -6.141 1.00 0.00 C ATOM 528 CD1 PHE A 31 -2.824 -0.621 -6.347 1.00 0.00 C ATOM 529 CD2 PHE A 31 -2.426 -2.561 -5.142 1.00 0.00 C ATOM 530 CE1 PHE A 31 -3.882 -0.354 -5.569 1.00 0.00 C ATOM 531 CE2 PHE A 31 -3.482 -2.294 -4.362 1.00 0.00 C ATOM 532 CZ PHE A 31 -4.213 -1.191 -4.576 1.00 0.00 C ATOM 0 H PHE A 31 -3.207 -2.573 -9.009 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.352 -2.994 -8.831 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.142 -2.547 -6.427 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.446 -1.079 -7.335 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.555 0.059 -7.142 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.837 -3.449 -4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.468 0.536 -5.742 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.745 -2.968 -3.560 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.067 -0.977 -3.950 1.00 0.00 H new ATOM 542 N THR A 32 -0.962 -5.027 -7.218 1.00 0.00 N ATOM 543 CA THR A 32 -1.431 -6.350 -6.808 1.00 0.00 C ATOM 544 C THR A 32 -1.118 -6.563 -5.336 1.00 0.00 C ATOM 545 O THR A 32 -0.027 -6.989 -4.959 1.00 0.00 O ATOM 546 CB THR A 32 -0.739 -7.428 -7.640 1.00 0.00 C ATOM 547 OG1 THR A 32 0.665 -7.335 -7.452 1.00 0.00 O ATOM 548 CG2 THR A 32 -1.058 -7.258 -9.122 1.00 0.00 C ATOM 0 H THR A 32 0.011 -4.814 -6.998 1.00 0.00 H new ATOM 0 HA THR A 32 -2.508 -6.415 -6.966 1.00 0.00 H new ATOM 0 HB THR A 32 -1.100 -8.404 -7.315 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.855 -7.102 -6.519 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.554 -8.037 -9.694 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.135 -7.335 -9.274 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.713 -6.280 -9.459 1.00 0.00 H new ATOM 556 N TYR A 33 -2.086 -6.280 -4.485 1.00 0.00 N ATOM 557 CA TYR A 33 -1.866 -6.529 -3.063 1.00 0.00 C ATOM 558 C TYR A 33 -2.040 -8.019 -2.808 1.00 0.00 C ATOM 559 O TYR A 33 -2.994 -8.646 -3.268 1.00 0.00 O ATOM 560 CB TYR A 33 -2.842 -5.701 -2.227 1.00 0.00 C ATOM 561 CG TYR A 33 -4.274 -6.156 -2.409 1.00 0.00 C ATOM 562 CD1 TYR A 33 -4.970 -5.824 -3.507 1.00 0.00 C ATOM 563 CD2 TYR A 33 -4.855 -6.886 -1.448 1.00 0.00 C ATOM 564 CE1 TYR A 33 -6.235 -6.241 -3.650 1.00 0.00 C ATOM 565 CE2 TYR A 33 -6.121 -7.301 -1.590 1.00 0.00 C ATOM 566 CZ TYR A 33 -6.810 -6.981 -2.693 1.00 0.00 C ATOM 567 OH TYR A 33 -8.104 -7.407 -2.842 1.00 0.00 O ATOM 0 H TYR A 33 -2.997 -5.894 -4.732 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.858 -6.231 -2.774 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.570 -5.774 -1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.757 -4.651 -2.506 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.510 -5.220 -4.276 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.302 -7.141 -0.556 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.792 -5.980 -4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.586 -7.893 -0.815 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.367 -7.933 -2.058 1.00 0.00 H new ATOM 577 N ASP A 34 -1.095 -8.612 -2.100 1.00 0.00 N ATOM 578 CA ASP A 34 -1.131 -10.065 -1.957 1.00 0.00 C ATOM 579 C ASP A 34 -1.890 -10.465 -0.703 1.00 0.00 C ATOM 580 O ASP A 34 -1.566 -10.061 0.412 1.00 0.00 O ATOM 581 CB ASP A 34 0.300 -10.590 -1.885 1.00 0.00 C ATOM 582 CG ASP A 34 1.072 -10.219 -3.140 1.00 0.00 C ATOM 583 OD1 ASP A 34 0.964 -10.945 -4.151 1.00 0.00 O ATOM 584 OD2 ASP A 34 1.792 -9.198 -3.123 1.00 0.00 O ATOM 0 H ASP A 34 -0.322 -8.139 -1.631 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.645 -10.495 -2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.800 -10.177 -1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.290 -11.673 -1.765 1.00 0.00 H new ATOM 589 N GLU A 35 -2.907 -11.290 -0.886 1.00 0.00 N ATOM 590 CA GLU A 35 -3.630 -11.806 0.276 1.00 0.00 C ATOM 591 C GLU A 35 -3.907 -13.282 0.056 1.00 0.00 C ATOM 592 O GLU A 35 -3.500 -14.147 0.832 1.00 0.00 O ATOM 593 CB GLU A 35 -4.953 -11.062 0.456 1.00 0.00 C ATOM 594 CG GLU A 35 -4.728 -9.594 0.809 1.00 0.00 C ATOM 595 CD GLU A 35 -3.992 -9.455 2.132 1.00 0.00 C ATOM 596 OE1 GLU A 35 -4.084 -10.271 3.048 1.00 0.00 O ATOM 597 OE2 GLU A 35 -3.224 -8.322 2.173 1.00 0.00 O ATOM 0 H GLU A 35 -3.246 -11.611 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.026 -11.661 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.538 -11.131 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.536 -11.541 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.155 -9.110 0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.687 -9.080 0.867 1.00 0.00 H new ATOM 605 N GLY A 36 -4.615 -13.575 -1.015 1.00 0.00 N ATOM 606 CA GLY A 36 -4.953 -14.970 -1.286 1.00 0.00 C ATOM 607 C GLY A 36 -3.701 -15.773 -1.597 1.00 0.00 C ATOM 608 O GLY A 36 -3.532 -16.905 -1.147 1.00 0.00 O ATOM 0 H GLY A 36 -4.961 -12.898 -1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.463 -15.400 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.645 -15.026 -2.126 1.00 0.00 H new ATOM 612 N GLY A 37 -2.815 -15.199 -2.392 1.00 0.00 N ATOM 613 CA GLY A 37 -1.634 -15.958 -2.796 1.00 0.00 C ATOM 614 C GLY A 37 -1.928 -16.672 -4.106 1.00 0.00 C ATOM 615 O GLY A 37 -1.389 -16.341 -5.161 1.00 0.00 O ATOM 0 H GLY A 37 -2.879 -14.250 -2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.780 -15.291 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.369 -16.681 -2.024 1.00 0.00 H new ATOM 619 N GLY A 38 -2.811 -17.651 -4.051 1.00 0.00 N ATOM 620 CA GLY A 38 -3.229 -18.293 -5.294 1.00 0.00 C ATOM 621 C GLY A 38 -4.335 -17.465 -5.927 1.00 0.00 C ATOM 622 O GLY A 38 -4.540 -17.472 -7.140 1.00 0.00 O ATOM 0 H GLY A 38 -3.241 -18.012 -3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.384 -18.378 -5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.582 -19.305 -5.096 1.00 0.00 H new ATOM 626 N LYS A 39 -5.052 -16.731 -5.094 1.00 0.00 N ATOM 627 CA LYS A 39 -6.090 -15.854 -5.627 1.00 0.00 C ATOM 628 C LYS A 39 -5.731 -14.417 -5.286 1.00 0.00 C ATOM 629 O LYS A 39 -6.424 -13.734 -4.534 1.00 0.00 O ATOM 630 CB LYS A 39 -7.439 -16.228 -5.016 1.00 0.00 C ATOM 631 CG LYS A 39 -7.804 -17.665 -5.382 1.00 0.00 C ATOM 632 CD LYS A 39 -9.118 -18.101 -4.735 1.00 0.00 C ATOM 633 CE LYS A 39 -10.306 -17.322 -5.295 1.00 0.00 C ATOM 634 NZ LYS A 39 -11.553 -17.838 -4.711 1.00 0.00 N ATOM 0 H LYS A 39 -4.945 -16.719 -4.080 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.160 -15.963 -6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.398 -16.120 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.210 -15.547 -5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.885 -17.754 -6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.004 -18.335 -5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.270 -19.167 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.060 -17.952 -3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.198 -16.261 -5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.335 -17.414 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.361 -17.307 -5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.657 -18.845 -4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.524 -17.728 -3.677 1.00 0.00 H new ATOM 648 N THR A 40 -4.624 -13.957 -5.842 1.00 0.00 N ATOM 649 CA THR A 40 -4.192 -12.590 -5.559 1.00 0.00 C ATOM 650 C THR A 40 -5.270 -11.611 -5.998 1.00 0.00 C ATOM 651 O THR A 40 -5.810 -11.693 -7.100 1.00 0.00 O ATOM 652 CB THR A 40 -2.894 -12.330 -6.321 1.00 0.00 C ATOM 653 OG1 THR A 40 -1.927 -13.293 -5.929 1.00 0.00 O ATOM 654 CG2 THR A 40 -2.355 -10.934 -6.021 1.00 0.00 C ATOM 0 H THR A 40 -4.021 -14.486 -6.473 1.00 0.00 H new ATOM 0 HA THR A 40 -4.024 -12.458 -4.490 1.00 0.00 H new ATOM 0 HB THR A 40 -3.097 -12.403 -7.389 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.091 -13.134 -6.415 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.430 -10.774 -6.576 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.091 -10.188 -6.320 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.158 -10.842 -4.953 1.00 0.00 H new ATOM 662 N GLY A 41 -5.600 -10.672 -5.127 1.00 0.00 N ATOM 663 CA GLY A 41 -6.650 -9.720 -5.482 1.00 0.00 C ATOM 664 C GLY A 41 -6.049 -8.501 -6.165 1.00 0.00 C ATOM 665 O GLY A 41 -5.014 -7.976 -5.757 1.00 0.00 O ATOM 0 H GLY A 41 -5.180 -10.546 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.373 -10.196 -6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.191 -9.414 -4.586 1.00 0.00 H new ATOM 669 N ARG A 42 -6.706 -8.039 -7.214 1.00 0.00 N ATOM 670 CA ARG A 42 -6.198 -6.857 -7.907 1.00 0.00 C ATOM 671 C ARG A 42 -7.139 -5.691 -7.652 1.00 0.00 C ATOM 672 O ARG A 42 -8.356 -5.853 -7.560 1.00 0.00 O ATOM 673 CB ARG A 42 -6.122 -7.150 -9.404 1.00 0.00 C ATOM 674 CG ARG A 42 -5.210 -8.344 -9.678 1.00 0.00 C ATOM 675 CD ARG A 42 -5.150 -8.649 -11.173 1.00 0.00 C ATOM 676 NE ARG A 42 -4.579 -7.514 -11.893 1.00 0.00 N ATOM 677 CZ ARG A 42 -4.436 -7.596 -13.204 1.00 0.00 C ATOM 678 NH1 ARG A 42 -4.805 -8.689 -13.844 1.00 0.00 N ATOM 679 NH2 ARG A 42 -3.921 -6.582 -13.874 1.00 0.00 N ATOM 0 H ARG A 42 -7.561 -8.442 -7.598 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.203 -6.604 -7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.121 -7.353 -9.790 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.748 -6.273 -9.932 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.208 -8.135 -9.304 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.575 -9.218 -9.138 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.547 -9.540 -11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.150 -8.862 -11.549 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.295 -6.672 -11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.202 -9.473 -13.327 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.693 -8.750 -14.856 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.634 -5.737 -13.380 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.810 -6.643 -14.886 1.00 0.00 H new ATOM 693 N GLY A 43 -6.585 -4.498 -7.534 1.00 0.00 N ATOM 694 CA GLY A 43 -7.445 -3.344 -7.287 1.00 0.00 C ATOM 695 C GLY A 43 -6.804 -2.087 -7.855 1.00 0.00 C ATOM 696 O GLY A 43 -5.794 -2.137 -8.554 1.00 0.00 O ATOM 0 H GLY A 43 -5.586 -4.301 -7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.421 -3.503 -7.745 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.610 -3.226 -6.216 1.00 0.00 H new ATOM 700 N ALA A 44 -7.391 -0.941 -7.562 1.00 0.00 N ATOM 701 CA ALA A 44 -6.816 0.291 -8.092 1.00 0.00 C ATOM 702 C ALA A 44 -7.360 1.480 -7.317 1.00 0.00 C ATOM 703 O ALA A 44 -8.410 1.415 -6.679 1.00 0.00 O ATOM 704 CB ALA A 44 -7.178 0.421 -9.570 1.00 0.00 C ATOM 0 H ALA A 44 -8.227 -0.832 -6.988 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.731 0.266 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.750 1.340 -9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.780 -0.433 -10.118 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.262 0.448 -9.678 1.00 0.00 H new ATOM 710 N VAL A 45 -6.645 2.589 -7.371 1.00 0.00 N ATOM 711 CA VAL A 45 -7.125 3.772 -6.663 1.00 0.00 C ATOM 712 C VAL A 45 -6.419 4.993 -7.236 1.00 0.00 C ATOM 713 O VAL A 45 -5.234 4.954 -7.567 1.00 0.00 O ATOM 714 CB VAL A 45 -6.856 3.606 -5.166 1.00 0.00 C ATOM 715 CG1 VAL A 45 -5.357 3.543 -4.884 1.00 0.00 C ATOM 716 CG2 VAL A 45 -7.471 4.762 -4.382 1.00 0.00 C ATOM 0 H VAL A 45 -5.765 2.701 -7.874 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.199 3.902 -6.793 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.314 2.669 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.193 3.425 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.923 2.695 -5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.884 4.464 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.270 4.628 -3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.035 5.703 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.548 4.782 -4.548 1.00 0.00 H new ATOM 726 N SER A 46 -7.146 6.086 -7.380 1.00 0.00 N ATOM 727 CA SER A 46 -6.521 7.279 -7.946 1.00 0.00 C ATOM 728 C SER A 46 -5.402 7.749 -7.030 1.00 0.00 C ATOM 729 O SER A 46 -5.460 7.605 -5.810 1.00 0.00 O ATOM 730 CB SER A 46 -7.575 8.373 -8.096 1.00 0.00 C ATOM 731 OG SER A 46 -8.122 8.686 -6.824 1.00 0.00 O ATOM 0 H SER A 46 -8.130 6.179 -7.127 1.00 0.00 H new ATOM 0 HA SER A 46 -6.101 7.049 -8.925 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.129 9.263 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.364 8.041 -8.771 1.00 0.00 H new ATOM 0 HG SER A 46 -7.883 9.605 -6.582 1.00 0.00 H new ATOM 737 N GLU A 47 -4.364 8.313 -7.621 1.00 0.00 N ATOM 738 CA GLU A 47 -3.227 8.739 -6.807 1.00 0.00 C ATOM 739 C GLU A 47 -3.328 10.227 -6.507 1.00 0.00 C ATOM 740 O GLU A 47 -2.403 10.840 -5.978 1.00 0.00 O ATOM 741 CB GLU A 47 -1.928 8.429 -7.550 1.00 0.00 C ATOM 742 CG GLU A 47 -1.858 9.155 -8.892 1.00 0.00 C ATOM 743 CD GLU A 47 -0.562 8.815 -9.612 1.00 0.00 C ATOM 744 OE1 GLU A 47 0.424 8.450 -8.936 1.00 0.00 O ATOM 745 OE2 GLU A 47 -0.523 8.911 -10.858 1.00 0.00 O ATOM 0 H GLU A 47 -4.278 8.485 -8.623 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.233 8.198 -5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.078 8.721 -6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.850 7.354 -7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.710 8.872 -9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.922 10.232 -8.734 1.00 0.00 H new ATOM 752 N LYS A 48 -4.456 10.826 -6.842 1.00 0.00 N ATOM 753 CA LYS A 48 -4.593 12.259 -6.583 1.00 0.00 C ATOM 754 C LYS A 48 -4.959 12.482 -5.124 1.00 0.00 C ATOM 755 O LYS A 48 -4.682 13.533 -4.546 1.00 0.00 O ATOM 756 CB LYS A 48 -5.671 12.832 -7.501 1.00 0.00 C ATOM 757 CG LYS A 48 -5.842 14.335 -7.278 1.00 0.00 C ATOM 758 CD LYS A 48 -6.831 14.942 -8.274 1.00 0.00 C ATOM 759 CE LYS A 48 -8.246 14.396 -8.089 1.00 0.00 C ATOM 760 NZ LYS A 48 -8.721 14.668 -6.725 1.00 0.00 N ATOM 0 H LYS A 48 -5.261 10.373 -7.275 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.649 12.766 -6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.405 12.643 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.618 12.324 -7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.191 14.515 -6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.876 14.830 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.843 16.026 -8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.494 14.736 -9.290 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.918 14.855 -8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.257 13.323 -8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.755 14.562 -6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.281 13.996 -6.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.463 15.639 -6.455 1.00 0.00 H new ATOM 774 N ASP A 49 -5.595 11.498 -4.512 1.00 0.00 N ATOM 775 CA ASP A 49 -5.995 11.674 -3.117 1.00 0.00 C ATOM 776 C ASP A 49 -5.509 10.491 -2.295 1.00 0.00 C ATOM 777 O ASP A 49 -6.123 10.094 -1.306 1.00 0.00 O ATOM 778 CB ASP A 49 -7.517 11.770 -3.042 1.00 0.00 C ATOM 779 CG ASP A 49 -8.156 10.503 -3.588 1.00 0.00 C ATOM 780 OD1 ASP A 49 -8.331 9.536 -2.815 1.00 0.00 O ATOM 781 OD2 ASP A 49 -8.488 10.467 -4.792 1.00 0.00 O ATOM 0 H ASP A 49 -5.840 10.602 -4.933 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.554 12.588 -2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.827 11.925 -2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.862 12.633 -3.611 1.00 0.00 H new ATOM 786 N ALA A 50 -4.393 9.916 -2.703 1.00 0.00 N ATOM 787 CA ALA A 50 -3.869 8.781 -1.948 1.00 0.00 C ATOM 788 C ALA A 50 -3.019 9.319 -0.802 1.00 0.00 C ATOM 789 O ALA A 50 -2.537 10.449 -0.871 1.00 0.00 O ATOM 790 CB ALA A 50 -3.027 7.931 -2.900 1.00 0.00 C ATOM 0 H ALA A 50 -3.847 10.197 -3.518 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.669 8.168 -1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.622 7.074 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.650 7.581 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.208 8.531 -3.295 1.00 0.00 H new ATOM 796 N PRO A 51 -2.806 8.556 0.265 1.00 0.00 N ATOM 797 CA PRO A 51 -1.985 9.017 1.382 1.00 0.00 C ATOM 798 C PRO A 51 -0.646 9.572 0.920 1.00 0.00 C ATOM 799 O PRO A 51 -0.138 9.243 -0.151 1.00 0.00 O ATOM 800 CB PRO A 51 -1.827 7.731 2.192 1.00 0.00 C ATOM 801 CG PRO A 51 -3.096 6.933 1.894 1.00 0.00 C ATOM 802 CD PRO A 51 -3.391 7.228 0.426 1.00 0.00 C ATOM 0 HA PRO A 51 -2.424 9.842 1.943 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.934 7.182 1.895 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.732 7.942 3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.944 5.867 2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.921 7.243 2.536 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.932 6.496 -0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.460 7.224 0.215 1.00 0.00 H new ATOM 810 N LYS A 52 -0.067 10.446 1.725 1.00 0.00 N ATOM 811 CA LYS A 52 1.159 11.108 1.283 1.00 0.00 C ATOM 812 C LYS A 52 2.360 10.189 1.460 1.00 0.00 C ATOM 813 O LYS A 52 3.423 10.403 0.879 1.00 0.00 O ATOM 814 CB LYS A 52 1.350 12.382 2.103 1.00 0.00 C ATOM 815 CG LYS A 52 0.138 13.300 1.964 1.00 0.00 C ATOM 816 CD LYS A 52 0.334 14.574 2.780 1.00 0.00 C ATOM 817 CE LYS A 52 -0.883 15.484 2.646 1.00 0.00 C ATOM 818 NZ LYS A 52 -0.686 16.701 3.447 1.00 0.00 N ATOM 0 H LYS A 52 -0.404 10.710 2.651 1.00 0.00 H new ATOM 0 HA LYS A 52 1.076 11.354 0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.500 12.126 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.247 12.903 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.015 13.553 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.759 12.780 2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.493 14.321 3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.227 15.098 2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.038 15.747 1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.779 14.960 2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.518 17.318 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.559 16.442 4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.159 17.205 3.110 1.00 0.00 H new ATOM 832 N GLU A 53 2.203 9.151 2.260 1.00 0.00 N ATOM 833 CA GLU A 53 3.328 8.241 2.465 1.00 0.00 C ATOM 834 C GLU A 53 3.626 7.483 1.178 1.00 0.00 C ATOM 835 O GLU A 53 4.771 7.141 0.886 1.00 0.00 O ATOM 836 CB GLU A 53 2.987 7.259 3.583 1.00 0.00 C ATOM 837 CG GLU A 53 2.748 7.994 4.899 1.00 0.00 C ATOM 838 CD GLU A 53 2.455 7.006 6.016 1.00 0.00 C ATOM 839 OE1 GLU A 53 3.388 6.298 6.453 1.00 0.00 O ATOM 840 OE2 GLU A 53 1.291 6.931 6.463 1.00 0.00 O ATOM 0 H GLU A 53 1.347 8.917 2.763 1.00 0.00 H new ATOM 0 HA GLU A 53 4.211 8.815 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.098 6.689 3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.800 6.543 3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.624 8.590 5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.913 8.686 4.789 1.00 0.00 H new ATOM 847 N LEU A 54 2.603 7.211 0.389 1.00 0.00 N ATOM 848 CA LEU A 54 2.853 6.501 -0.863 1.00 0.00 C ATOM 849 C LEU A 54 3.471 7.454 -1.876 1.00 0.00 C ATOM 850 O LEU A 54 4.225 7.050 -2.760 1.00 0.00 O ATOM 851 CB LEU A 54 1.541 5.940 -1.414 1.00 0.00 C ATOM 852 CG LEU A 54 0.937 4.870 -0.506 1.00 0.00 C ATOM 853 CD1 LEU A 54 -0.453 4.507 -1.022 1.00 0.00 C ATOM 854 CD2 LEU A 54 1.806 3.614 -0.501 1.00 0.00 C ATOM 0 H LEU A 54 1.630 7.455 0.575 1.00 0.00 H new ATOM 0 HA LEU A 54 3.542 5.677 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.826 6.753 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.717 5.516 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 54 0.878 5.263 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.892 3.744 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.086 5.394 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.375 4.124 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.358 2.864 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.878 3.217 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.803 3.863 -0.137 1.00 0.00 H new ATOM 866 N LEU A 55 3.162 8.733 -1.766 1.00 0.00 N ATOM 867 CA LEU A 55 3.731 9.675 -2.727 1.00 0.00 C ATOM 868 C LEU A 55 5.212 9.859 -2.434 1.00 0.00 C ATOM 869 O LEU A 55 6.033 10.022 -3.334 1.00 0.00 O ATOM 870 CB LEU A 55 3.009 11.018 -2.626 1.00 0.00 C ATOM 871 CG LEU A 55 1.512 10.898 -2.917 1.00 0.00 C ATOM 872 CD1 LEU A 55 0.850 12.254 -2.687 1.00 0.00 C ATOM 873 CD2 LEU A 55 1.264 10.465 -4.360 1.00 0.00 C ATOM 0 H LEU A 55 2.549 9.136 -1.057 1.00 0.00 H new ATOM 0 HA LEU A 55 3.608 9.284 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.150 11.429 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.457 11.722 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 55 1.090 10.145 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.218 12.177 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.999 12.561 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.295 12.994 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.191 10.388 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.692 11.202 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.731 9.496 -4.534 1.00 0.00 H new ATOM 885 N GLN A 56 5.568 9.833 -1.161 1.00 0.00 N ATOM 886 CA GLN A 56 6.976 10.021 -0.820 1.00 0.00 C ATOM 887 C GLN A 56 7.710 8.691 -0.904 1.00 0.00 C ATOM 888 O GLN A 56 8.937 8.634 -0.932 1.00 0.00 O ATOM 889 CB GLN A 56 7.082 10.587 0.595 1.00 0.00 C ATOM 890 CG GLN A 56 6.410 11.955 0.688 1.00 0.00 C ATOM 891 CD GLN A 56 6.550 12.523 2.090 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.437 12.148 2.856 1.00 0.00 O ATOM 893 NE2 GLN A 56 5.670 13.441 2.443 1.00 0.00 N ATOM 0 H GLN A 56 4.936 9.690 -0.373 1.00 0.00 H new ATOM 0 HA GLN A 56 7.431 10.719 -1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.616 9.900 1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.131 10.673 0.879 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.860 12.637 -0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.355 11.867 0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.946 13.732 1.787 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.714 13.859 3.372 1.00 0.00 H new ATOM 902 N MET A 57 6.965 7.602 -0.966 1.00 0.00 N ATOM 903 CA MET A 57 7.622 6.310 -1.138 1.00 0.00 C ATOM 904 C MET A 57 7.884 6.106 -2.622 1.00 0.00 C ATOM 905 O MET A 57 8.697 5.280 -3.034 1.00 0.00 O ATOM 906 CB MET A 57 6.712 5.213 -0.590 1.00 0.00 C ATOM 907 CG MET A 57 7.369 3.838 -0.706 1.00 0.00 C ATOM 908 SD MET A 57 8.940 3.830 0.177 1.00 0.00 S ATOM 909 CE MET A 57 8.334 3.884 1.872 1.00 0.00 C ATOM 0 H MET A 57 5.947 7.577 -0.903 1.00 0.00 H new ATOM 0 HA MET A 57 8.568 6.275 -0.598 1.00 0.00 H new ATOM 0 HB2 MET A 57 6.478 5.420 0.454 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.768 5.215 -1.135 1.00 0.00 H new ATOM 0 HG2 MET A 57 6.708 3.074 -0.296 1.00 0.00 H new ATOM 0 HG3 MET A 57 7.531 3.590 -1.755 1.00 0.00 H new ATOM 0 HE1 MET A 57 9.126 3.568 2.552 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.030 4.901 2.117 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.480 3.215 1.974 1.00 0.00 H new ATOM 919 N LEU A 58 7.185 6.876 -3.435 1.00 0.00 N ATOM 920 CA LEU A 58 7.387 6.778 -4.878 1.00 0.00 C ATOM 921 C LEU A 58 7.554 8.196 -5.410 1.00 0.00 C ATOM 922 O LEU A 58 6.569 8.839 -5.769 1.00 0.00 O ATOM 923 CB LEU A 58 6.143 6.158 -5.517 1.00 0.00 C ATOM 924 CG LEU A 58 5.821 4.762 -4.981 1.00 0.00 C ATOM 925 CD1 LEU A 58 4.495 4.296 -5.574 1.00 0.00 C ATOM 926 CD2 LEU A 58 6.911 3.762 -5.359 1.00 0.00 C ATOM 0 H LEU A 58 6.489 7.560 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 58 8.259 6.165 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.289 6.813 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.287 6.101 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 58 5.760 4.815 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.258 3.301 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.705 4.990 -5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.574 4.263 -6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.655 2.779 -4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.994 3.707 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.863 4.085 -4.938 1.00 0.00 H new ATOM 938 N GLU A 59 8.762 8.740 -5.470 1.00 0.00 N ATOM 939 CA GLU A 59 9.952 8.014 -5.018 1.00 0.00 C ATOM 940 C GLU A 59 11.037 9.038 -4.724 1.00 0.00 C ATOM 941 O GLU A 59 11.027 10.154 -5.241 1.00 0.00 O ATOM 942 CB GLU A 59 10.495 7.089 -6.111 1.00 0.00 C ATOM 943 CG GLU A 59 9.593 5.892 -6.398 1.00 0.00 C ATOM 944 CD GLU A 59 10.243 4.971 -7.417 1.00 0.00 C ATOM 945 OE1 GLU A 59 11.299 4.379 -7.106 1.00 0.00 O ATOM 946 OE2 GLU A 59 9.702 4.834 -8.536 1.00 0.00 O ATOM 0 H GLU A 59 8.949 9.678 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 59 9.682 7.419 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.628 7.662 -7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.480 6.729 -5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.399 5.345 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.629 6.236 -6.772 1.00 0.00 H new ATOM 953 N LYS A 60 12.007 8.651 -3.914 1.00 0.00 N ATOM 954 CA LYS A 60 13.163 9.527 -3.720 1.00 0.00 C ATOM 955 C LYS A 60 14.375 8.833 -4.318 1.00 0.00 C ATOM 956 O LYS A 60 14.724 7.713 -3.950 1.00 0.00 O ATOM 957 CB LYS A 60 13.425 9.792 -2.237 1.00 0.00 C ATOM 958 CG LYS A 60 12.629 10.978 -1.690 1.00 0.00 C ATOM 959 CD LYS A 60 11.137 10.679 -1.564 1.00 0.00 C ATOM 960 CE LYS A 60 10.405 11.853 -0.918 1.00 0.00 C ATOM 961 NZ LYS A 60 10.537 13.055 -1.755 1.00 0.00 N ATOM 0 H LYS A 60 12.027 7.773 -3.396 1.00 0.00 H new ATOM 0 HA LYS A 60 12.968 10.485 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.174 8.899 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.489 9.977 -2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.024 11.255 -0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.769 11.837 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.716 10.479 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.990 9.779 -0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.351 11.606 -0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.814 12.045 0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.842 13.767 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.496 13.444 -1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.366 12.806 -2.750 1.00 0.00 H new ATOM 975 N GLN A 61 15.031 9.500 -5.251 1.00 0.00 N ATOM 976 CA GLN A 61 16.216 8.895 -5.858 1.00 0.00 C ATOM 977 C GLN A 61 17.386 9.855 -5.719 1.00 0.00 C ATOM 978 O GLN A 61 17.688 10.640 -6.617 1.00 0.00 O ATOM 979 CB GLN A 61 15.949 8.614 -7.335 1.00 0.00 C ATOM 980 CG GLN A 61 14.832 7.589 -7.504 1.00 0.00 C ATOM 981 CD GLN A 61 14.598 7.293 -8.976 1.00 0.00 C ATOM 982 OE1 GLN A 61 13.783 7.928 -9.644 1.00 0.00 O ATOM 983 NE2 GLN A 61 15.318 6.319 -9.500 1.00 0.00 N ATOM 0 H GLN A 61 14.781 10.426 -5.599 1.00 0.00 H new ATOM 0 HA GLN A 61 16.451 7.956 -5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.677 9.540 -7.842 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.859 8.247 -7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.092 6.670 -6.979 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.914 7.965 -7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.986 5.810 -8.921 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.206 6.075 -10.484 1.00 0.00 H new ATOM 992 N LYS A 62 18.063 9.803 -4.587 1.00 0.00 N ATOM 993 CA LYS A 62 19.195 10.707 -4.406 1.00 0.00 C ATOM 994 C LYS A 62 20.332 10.230 -5.296 1.00 0.00 C ATOM 995 O LYS A 62 20.850 11.039 -6.095 1.00 0.00 O ATOM 996 CB LYS A 62 19.663 10.722 -2.949 1.00 0.00 C ATOM 997 CG LYS A 62 18.768 11.560 -2.032 1.00 0.00 C ATOM 998 CD LYS A 62 17.421 10.897 -1.743 1.00 0.00 C ATOM 999 CE LYS A 62 16.602 11.737 -0.764 1.00 0.00 C ATOM 1000 NZ LYS A 62 17.292 11.827 0.530 1.00 0.00 N ATOM 1001 OXT LYS A 62 20.712 9.044 -5.200 1.00 0.00 O ATOM 0 H LYS A 62 17.866 9.176 -3.807 1.00 0.00 H new ATOM 0 HA LYS A 62 18.890 11.719 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 62 19.697 9.699 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 62 20.680 11.111 -2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 62 19.288 11.739 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.596 12.533 -2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.866 10.770 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.582 9.902 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.447 12.736 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.616 11.292 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.621 12.140 1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.672 10.893 0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.072 12.511 0.461 1.00 0.00 H new TER 1015 LYS A 62