USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 THR OG1 : rot 91:sc= 2.29 USER MOD Set 1.2: A 51 TYR OH : rot -59:sc= 0.915 USER MOD Set 2.1: A 16 GLN : amide:sc=-0.00491 K(o=-0.033,f=-0.57) USER MOD Set 2.2: A 31 ASN : amide:sc= -0.0278 X(o=-0.033,f=-0.49) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0284) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0295 (180deg=-0.00328) USER MOD Single : A 3 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.0098) USER MOD Single : A 6 THR OG1 : rot 160:sc= -1.43 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -11:sc= -0.212 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 81:sc= 1.05 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc=-0.000936 (180deg=-0.000936) USER MOD Single : A 26 GLN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.946 X(o=-0.95,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.981 K(o=-0.98,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -50:sc= 0.619 USER MOD Single : A 61 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.082) USER MOD Single : A 62 LYS NZ :NH3+ 156:sc= -0.0386 (180deg=-0.278) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.968 16.652 1.682 1.00 0.00 N ATOM 2 CA MET A 1 1.889 15.417 2.506 1.00 0.00 C ATOM 3 C MET A 1 1.820 14.172 1.628 1.00 0.00 C ATOM 4 O MET A 1 1.287 14.211 0.519 1.00 0.00 O ATOM 5 CB MET A 1 0.650 15.504 3.398 1.00 0.00 C ATOM 6 CG MET A 1 0.760 16.555 4.491 1.00 0.00 C ATOM 7 SD MET A 1 -0.252 16.168 5.931 1.00 0.00 S ATOM 8 CE MET A 1 -1.891 16.187 5.211 1.00 0.00 C ATOM 0 H1 MET A 1 2.915 17.071 1.774 1.00 0.00 H new ATOM 0 H2 MET A 1 1.789 16.416 0.685 1.00 0.00 H new ATOM 0 H3 MET A 1 1.254 17.334 2.010 1.00 0.00 H new ATOM 0 HA MET A 1 2.787 15.337 3.118 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.219 15.726 2.778 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.474 14.531 3.857 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.802 16.647 4.798 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.460 17.523 4.090 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.636 16.088 6.000 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.045 17.128 4.682 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.991 15.357 4.512 1.00 0.00 H new ATOM 20 N GLU A 2 2.361 13.069 2.133 1.00 0.00 N ATOM 21 CA GLU A 2 2.361 11.811 1.396 1.00 0.00 C ATOM 22 C GLU A 2 1.586 10.737 2.157 1.00 0.00 C ATOM 23 O GLU A 2 1.349 10.863 3.358 1.00 0.00 O ATOM 24 CB GLU A 2 3.797 11.342 1.144 1.00 0.00 C ATOM 25 CG GLU A 2 4.103 11.088 -0.323 1.00 0.00 C ATOM 26 CD GLU A 2 5.473 11.600 -0.730 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.390 11.578 0.117 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.626 12.022 -1.894 1.00 0.00 O ATOM 0 H GLU A 2 2.805 13.021 3.050 1.00 0.00 H new ATOM 0 HA GLU A 2 1.870 11.978 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.488 12.093 1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.976 10.427 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.045 10.018 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.342 11.569 -0.938 1.00 0.00 H new ATOM 35 N GLN A 3 1.193 9.683 1.449 1.00 0.00 N ATOM 36 CA GLN A 3 0.447 8.590 2.059 1.00 0.00 C ATOM 37 C GLN A 3 0.696 7.281 1.317 1.00 0.00 C ATOM 38 O GLN A 3 -0.220 6.480 1.125 1.00 0.00 O ATOM 39 CB GLN A 3 -1.050 8.912 2.069 1.00 0.00 C ATOM 40 CG GLN A 3 -1.701 8.732 3.431 1.00 0.00 C ATOM 41 CD GLN A 3 -1.420 9.891 4.369 1.00 0.00 C ATOM 42 OE1 GLN A 3 -0.916 9.699 5.475 1.00 0.00 O ATOM 43 NE2 GLN A 3 -1.748 11.100 3.930 1.00 0.00 N ATOM 0 H GLN A 3 1.379 9.563 0.453 1.00 0.00 H new ATOM 0 HA GLN A 3 0.793 8.473 3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.194 9.941 1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.556 8.272 1.346 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.778 8.625 3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.340 7.808 3.883 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.164 11.211 3.005 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.584 11.918 4.517 1.00 0.00 H new ATOM 52 N ARG A 4 1.942 7.069 0.906 1.00 0.00 N ATOM 53 CA ARG A 4 2.317 5.855 0.187 1.00 0.00 C ATOM 54 C ARG A 4 2.815 4.785 1.150 1.00 0.00 C ATOM 55 O ARG A 4 4.020 4.582 1.303 1.00 0.00 O ATOM 56 CB ARG A 4 3.392 6.159 -0.858 1.00 0.00 C ATOM 57 CG ARG A 4 4.500 7.069 -0.351 1.00 0.00 C ATOM 58 CD ARG A 4 5.644 7.165 -1.350 1.00 0.00 C ATOM 59 NE ARG A 4 6.844 6.478 -0.877 1.00 0.00 N ATOM 60 CZ ARG A 4 7.647 6.957 0.071 1.00 0.00 C ATOM 61 NH1 ARG A 4 7.377 8.118 0.655 1.00 0.00 N ATOM 62 NH2 ARG A 4 8.723 6.272 0.436 1.00 0.00 N ATOM 0 H ARG A 4 2.710 7.722 1.058 1.00 0.00 H new ATOM 0 HA ARG A 4 1.429 5.478 -0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.832 5.221 -1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.922 6.623 -1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.097 8.064 -0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.876 6.691 0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.331 6.735 -2.301 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.876 8.214 -1.535 1.00 0.00 H new ATOM 0 HE ARG A 4 7.080 5.579 -1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.551 8.648 0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.996 8.480 1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.935 5.379 -0.010 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.339 6.638 1.162 1.00 0.00 H new ATOM 76 N ILE A 5 1.877 4.109 1.801 1.00 0.00 N ATOM 77 CA ILE A 5 2.207 3.063 2.757 1.00 0.00 C ATOM 78 C ILE A 5 2.550 1.761 2.055 1.00 0.00 C ATOM 79 O ILE A 5 2.308 1.598 0.859 1.00 0.00 O ATOM 80 CB ILE A 5 1.036 2.806 3.727 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.469 4.128 4.216 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.485 1.952 4.904 1.00 0.00 C ATOM 83 CD1 ILE A 5 -1.019 4.090 4.491 1.00 0.00 C ATOM 0 H ILE A 5 0.877 4.269 1.682 1.00 0.00 H new ATOM 0 HA ILE A 5 3.075 3.411 3.317 1.00 0.00 H new ATOM 0 HB ILE A 5 0.257 2.262 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.990 4.421 5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.672 4.897 3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.642 1.784 5.574 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.854 0.994 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.281 2.466 5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.350 5.069 4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.551 3.828 3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.228 3.345 5.259 1.00 0.00 H new ATOM 95 N THR A 6 3.111 0.840 2.816 1.00 0.00 N ATOM 96 CA THR A 6 3.493 -0.465 2.291 1.00 0.00 C ATOM 97 C THR A 6 2.308 -1.425 2.324 1.00 0.00 C ATOM 98 O THR A 6 1.444 -1.330 3.195 1.00 0.00 O ATOM 99 CB THR A 6 4.658 -1.044 3.097 1.00 0.00 C ATOM 100 OG1 THR A 6 4.308 -1.174 4.463 1.00 0.00 O ATOM 101 CG2 THR A 6 5.914 -0.203 3.023 1.00 0.00 C ATOM 0 H THR A 6 3.315 0.970 3.807 1.00 0.00 H new ATOM 0 HA THR A 6 3.809 -0.337 1.256 1.00 0.00 H new ATOM 0 HB THR A 6 4.864 -2.016 2.648 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.907 -1.818 4.894 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.700 -0.670 3.616 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.240 -0.126 1.986 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.708 0.793 3.414 1.00 0.00 H new ATOM 109 N LEU A 7 2.270 -2.346 1.365 1.00 0.00 N ATOM 110 CA LEU A 7 1.186 -3.320 1.286 1.00 0.00 C ATOM 111 C LEU A 7 1.083 -4.134 2.572 1.00 0.00 C ATOM 112 O LEU A 7 -0.010 -4.515 2.990 1.00 0.00 O ATOM 113 CB LEU A 7 1.400 -4.252 0.092 1.00 0.00 C ATOM 114 CG LEU A 7 0.224 -5.176 -0.223 1.00 0.00 C ATOM 115 CD1 LEU A 7 -0.969 -4.373 -0.717 1.00 0.00 C ATOM 116 CD2 LEU A 7 0.627 -6.221 -1.253 1.00 0.00 C ATOM 0 H LEU A 7 2.975 -2.438 0.634 1.00 0.00 H new ATOM 0 HA LEU A 7 0.252 -2.775 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.613 -3.647 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.283 -4.863 0.280 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.064 -5.690 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.796 -5.048 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.274 -3.663 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.693 -3.831 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.223 -6.870 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.942 -5.725 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.451 -6.818 -0.862 1.00 0.00 H new ATOM 128 N LYS A 8 2.228 -4.395 3.195 1.00 0.00 N ATOM 129 CA LYS A 8 2.265 -5.166 4.433 1.00 0.00 C ATOM 130 C LYS A 8 1.586 -4.409 5.570 1.00 0.00 C ATOM 131 O LYS A 8 0.688 -4.932 6.228 1.00 0.00 O ATOM 132 CB LYS A 8 3.711 -5.489 4.812 1.00 0.00 C ATOM 133 CG LYS A 8 3.842 -6.690 5.736 1.00 0.00 C ATOM 134 CD LYS A 8 5.052 -7.541 5.378 1.00 0.00 C ATOM 135 CE LYS A 8 6.138 -7.441 6.437 1.00 0.00 C ATOM 136 NZ LYS A 8 7.150 -6.404 6.097 1.00 0.00 N ATOM 0 H LYS A 8 3.141 -4.084 2.864 1.00 0.00 H new ATOM 0 HA LYS A 8 1.722 -6.096 4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.283 -5.675 3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.155 -4.619 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.928 -6.349 6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.939 -7.297 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.746 -8.581 5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.451 -7.221 4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.685 -7.205 7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.630 -8.407 6.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.873 -6.367 6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.600 -6.642 5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.685 -5.477 6.019 1.00 0.00 H new ATOM 150 N ASP A 9 2.023 -3.173 5.798 1.00 0.00 N ATOM 151 CA ASP A 9 1.459 -2.345 6.857 1.00 0.00 C ATOM 152 C ASP A 9 -0.043 -2.158 6.669 1.00 0.00 C ATOM 153 O ASP A 9 -0.838 -2.534 7.528 1.00 0.00 O ATOM 154 CB ASP A 9 2.147 -0.979 6.889 1.00 0.00 C ATOM 155 CG ASP A 9 3.644 -1.086 7.118 1.00 0.00 C ATOM 156 OD1 ASP A 9 4.147 -2.223 7.236 1.00 0.00 O ATOM 157 OD2 ASP A 9 4.311 -0.033 7.179 1.00 0.00 O ATOM 0 H ASP A 9 2.766 -2.724 5.263 1.00 0.00 H new ATOM 0 HA ASP A 9 1.628 -2.857 7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.963 -0.461 5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.705 -0.372 7.679 1.00 0.00 H new ATOM 162 N TYR A 10 -0.421 -1.570 5.538 1.00 0.00 N ATOM 163 CA TYR A 10 -1.827 -1.327 5.234 1.00 0.00 C ATOM 164 C TYR A 10 -2.645 -2.610 5.340 1.00 0.00 C ATOM 165 O TYR A 10 -3.843 -2.573 5.623 1.00 0.00 O ATOM 166 CB TYR A 10 -1.971 -0.730 3.834 1.00 0.00 C ATOM 167 CG TYR A 10 -3.340 -0.148 3.562 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.445 -0.972 3.398 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.525 1.225 3.472 1.00 0.00 C ATOM 170 CE1 TYR A 10 -5.699 -0.444 3.149 1.00 0.00 C ATOM 171 CE2 TYR A 10 -4.775 1.761 3.225 1.00 0.00 C ATOM 172 CZ TYR A 10 -5.858 0.923 3.064 1.00 0.00 C ATOM 173 OH TYR A 10 -7.104 1.453 2.818 1.00 0.00 O ATOM 0 H TYR A 10 0.227 -1.253 4.817 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.210 -0.617 5.967 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.221 0.050 3.702 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.761 -1.503 3.095 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.324 -2.043 3.466 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.679 1.885 3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.549 -1.099 3.022 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.903 2.831 3.158 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.720 0.735 2.560 1.00 0.00 H new ATOM 183 N ALA A 11 -1.994 -3.746 5.110 1.00 0.00 N ATOM 184 CA ALA A 11 -2.665 -5.038 5.180 1.00 0.00 C ATOM 185 C ALA A 11 -2.887 -5.464 6.626 1.00 0.00 C ATOM 186 O ALA A 11 -3.981 -5.887 6.998 1.00 0.00 O ATOM 187 CB ALA A 11 -1.857 -6.091 4.437 1.00 0.00 C ATOM 0 H ALA A 11 -1.003 -3.797 4.874 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.641 -4.939 4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.369 -7.051 4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.753 -5.799 3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.869 -6.178 4.889 1.00 0.00 H new ATOM 193 N MET A 12 -1.841 -5.356 7.437 1.00 0.00 N ATOM 194 CA MET A 12 -1.918 -5.734 8.841 1.00 0.00 C ATOM 195 C MET A 12 -2.648 -4.675 9.664 1.00 0.00 C ATOM 196 O MET A 12 -3.180 -4.966 10.734 1.00 0.00 O ATOM 197 CB MET A 12 -0.512 -5.959 9.404 1.00 0.00 C ATOM 198 CG MET A 12 -0.225 -7.408 9.763 1.00 0.00 C ATOM 199 SD MET A 12 1.111 -7.573 10.964 1.00 0.00 S ATOM 200 CE MET A 12 2.525 -7.735 9.877 1.00 0.00 C ATOM 0 H MET A 12 -0.928 -5.009 7.144 1.00 0.00 H new ATOM 0 HA MET A 12 -2.486 -6.662 8.907 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.222 -5.623 8.671 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.382 -5.341 10.292 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.129 -7.865 10.166 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.034 -7.958 8.858 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.431 -7.846 10.473 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.398 -8.613 9.243 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.608 -6.845 9.253 1.00 0.00 H new ATOM 210 N ARG A 13 -2.660 -3.448 9.160 1.00 0.00 N ATOM 211 CA ARG A 13 -3.316 -2.343 9.853 1.00 0.00 C ATOM 212 C ARG A 13 -4.809 -2.299 9.541 1.00 0.00 C ATOM 213 O ARG A 13 -5.642 -2.555 10.411 1.00 0.00 O ATOM 214 CB ARG A 13 -2.664 -1.014 9.466 1.00 0.00 C ATOM 215 CG ARG A 13 -2.610 -0.012 10.607 1.00 0.00 C ATOM 216 CD ARG A 13 -2.591 1.419 10.090 1.00 0.00 C ATOM 217 NE ARG A 13 -1.888 2.320 11.002 1.00 0.00 N ATOM 218 CZ ARG A 13 -2.349 2.672 12.198 1.00 0.00 C ATOM 219 NH1 ARG A 13 -3.513 2.205 12.634 1.00 0.00 N ATOM 220 NH2 ARG A 13 -1.645 3.495 12.965 1.00 0.00 N ATOM 0 H ARG A 13 -2.224 -3.191 8.275 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.198 -2.505 10.924 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.651 -1.205 9.112 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.215 -0.576 8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.472 -0.154 11.258 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.721 -0.194 11.211 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.110 1.445 9.112 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.614 1.768 9.952 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.990 2.701 10.703 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.059 1.572 12.050 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.861 2.479 13.553 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.750 3.858 12.637 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.999 3.765 13.883 1.00 0.00 H new ATOM 234 N PHE A 14 -5.138 -1.959 8.301 1.00 0.00 N ATOM 235 CA PHE A 14 -6.520 -1.861 7.870 1.00 0.00 C ATOM 236 C PHE A 14 -7.111 -3.232 7.556 1.00 0.00 C ATOM 237 O PHE A 14 -8.326 -3.423 7.628 1.00 0.00 O ATOM 238 CB PHE A 14 -6.583 -0.963 6.644 1.00 0.00 C ATOM 239 CG PHE A 14 -5.967 0.387 6.874 1.00 0.00 C ATOM 240 CD1 PHE A 14 -6.698 1.405 7.456 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.653 0.635 6.517 1.00 0.00 C ATOM 242 CE1 PHE A 14 -6.136 2.637 7.676 1.00 0.00 C ATOM 243 CE2 PHE A 14 -4.088 1.865 6.734 1.00 0.00 C ATOM 244 CZ PHE A 14 -4.831 2.862 7.314 1.00 0.00 C ATOM 0 H PHE A 14 -4.457 -1.745 7.573 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.113 -1.435 8.680 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.072 -1.453 5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.624 -0.836 6.347 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.725 1.229 7.741 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.066 -0.149 6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.717 3.425 8.131 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.062 2.048 6.450 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.386 3.831 7.487 1.00 0.00 H new ATOM 254 N GLY A 15 -6.252 -4.185 7.209 1.00 0.00 N ATOM 255 CA GLY A 15 -6.719 -5.521 6.891 1.00 0.00 C ATOM 256 C GLY A 15 -6.630 -5.830 5.410 1.00 0.00 C ATOM 257 O GLY A 15 -7.037 -5.023 4.574 1.00 0.00 O ATOM 0 H GLY A 15 -5.242 -4.056 7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.130 -6.250 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.753 -5.629 7.220 1.00 0.00 H new ATOM 261 N GLN A 16 -6.097 -7.004 5.083 1.00 0.00 N ATOM 262 CA GLN A 16 -5.955 -7.421 3.691 1.00 0.00 C ATOM 263 C GLN A 16 -7.295 -7.369 2.964 1.00 0.00 C ATOM 264 O GLN A 16 -7.345 -7.201 1.745 1.00 0.00 O ATOM 265 CB GLN A 16 -5.372 -8.835 3.619 1.00 0.00 C ATOM 266 CG GLN A 16 -3.920 -8.871 3.176 1.00 0.00 C ATOM 267 CD GLN A 16 -3.143 -10.009 3.812 1.00 0.00 C ATOM 268 OE1 GLN A 16 -2.090 -9.796 4.414 1.00 0.00 O ATOM 269 NE2 GLN A 16 -3.660 -11.224 3.679 1.00 0.00 N ATOM 0 H GLN A 16 -5.756 -7.684 5.763 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.273 -6.729 3.198 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.456 -9.304 4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.969 -9.431 2.928 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.877 -8.969 2.091 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.443 -7.924 3.430 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.535 -11.353 3.172 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.182 -12.029 4.084 1.00 0.00 H new ATOM 278 N THR A 17 -8.382 -7.514 3.717 1.00 0.00 N ATOM 279 CA THR A 17 -9.721 -7.483 3.140 1.00 0.00 C ATOM 280 C THR A 17 -10.070 -6.078 2.668 1.00 0.00 C ATOM 281 O THR A 17 -10.360 -5.863 1.489 1.00 0.00 O ATOM 282 CB THR A 17 -10.750 -7.966 4.164 1.00 0.00 C ATOM 283 OG1 THR A 17 -10.420 -9.264 4.629 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.160 -8.016 3.618 1.00 0.00 C ATOM 0 H THR A 17 -8.361 -7.654 4.727 1.00 0.00 H new ATOM 0 HA THR A 17 -9.740 -8.151 2.279 1.00 0.00 H new ATOM 0 HB THR A 17 -10.719 -7.237 4.973 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.088 -9.556 5.284 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.839 -8.367 4.395 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.461 -7.019 3.296 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.197 -8.698 2.769 1.00 0.00 H new ATOM 292 N LYS A 18 -10.060 -5.125 3.595 1.00 0.00 N ATOM 293 CA LYS A 18 -10.380 -3.740 3.274 1.00 0.00 C ATOM 294 C LYS A 18 -9.472 -3.195 2.182 1.00 0.00 C ATOM 295 O LYS A 18 -9.854 -2.301 1.427 1.00 0.00 O ATOM 296 CB LYS A 18 -10.280 -2.865 4.525 1.00 0.00 C ATOM 297 CG LYS A 18 -11.140 -1.615 4.469 1.00 0.00 C ATOM 298 CD LYS A 18 -10.500 -0.465 5.231 1.00 0.00 C ATOM 299 CE LYS A 18 -11.100 -0.319 6.622 1.00 0.00 C ATOM 300 NZ LYS A 18 -10.120 0.259 7.588 1.00 0.00 N ATOM 0 H LYS A 18 -9.833 -5.288 4.576 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.404 -3.717 2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.570 -3.456 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.240 -2.573 4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.294 -1.324 3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.123 -1.829 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.426 -0.633 5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.636 0.463 4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.982 0.319 6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.432 -1.294 6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.564 0.344 8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.289 -0.363 7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.823 1.200 7.260 1.00 0.00 H new ATOM 314 N THR A 19 -8.261 -3.739 2.102 1.00 0.00 N ATOM 315 CA THR A 19 -7.295 -3.306 1.100 1.00 0.00 C ATOM 316 C THR A 19 -7.700 -3.779 -0.291 1.00 0.00 C ATOM 317 O THR A 19 -7.451 -3.099 -1.288 1.00 0.00 O ATOM 318 CB THR A 19 -5.902 -3.836 1.445 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.699 -3.843 2.847 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.783 -3.027 0.824 1.00 0.00 C ATOM 0 H THR A 19 -7.927 -4.479 2.719 1.00 0.00 H new ATOM 0 HA THR A 19 -7.275 -2.216 1.100 1.00 0.00 H new ATOM 0 HB THR A 19 -5.870 -4.846 1.037 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.115 -4.642 3.234 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.822 -3.456 1.108 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.881 -3.044 -0.261 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.839 -1.997 1.177 1.00 0.00 H new ATOM 328 N ALA A 20 -8.322 -4.951 -0.353 1.00 0.00 N ATOM 329 CA ALA A 20 -8.759 -5.520 -1.623 1.00 0.00 C ATOM 330 C ALA A 20 -9.961 -4.764 -2.185 1.00 0.00 C ATOM 331 O ALA A 20 -10.160 -4.720 -3.399 1.00 0.00 O ATOM 332 CB ALA A 20 -9.094 -6.993 -1.453 1.00 0.00 C ATOM 0 H ALA A 20 -8.535 -5.526 0.462 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.939 -5.423 -2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.419 -7.405 -2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.210 -7.530 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.894 -7.102 -0.720 1.00 0.00 H new ATOM 338 N LYS A 21 -10.750 -4.170 -1.301 1.00 0.00 N ATOM 339 CA LYS A 21 -11.930 -3.417 -1.719 1.00 0.00 C ATOM 340 C LYS A 21 -11.570 -1.952 -1.962 1.00 0.00 C ATOM 341 O LYS A 21 -12.190 -1.287 -2.798 1.00 0.00 O ATOM 342 CB LYS A 21 -13.050 -3.521 -0.680 1.00 0.00 C ATOM 343 CG LYS A 21 -12.590 -3.946 0.707 1.00 0.00 C ATOM 344 CD LYS A 21 -13.740 -3.928 1.704 1.00 0.00 C ATOM 345 CE LYS A 21 -13.820 -2.601 2.441 1.00 0.00 C ATOM 346 NZ LYS A 21 -14.430 -2.750 3.792 1.00 0.00 N ATOM 0 H LYS A 21 -10.598 -4.193 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.291 -3.851 -2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.547 -2.554 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.793 -4.234 -1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.164 -4.948 0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.799 -3.279 1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.679 -4.112 1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.612 -4.737 2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.820 -2.180 2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.407 -1.895 1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.466 -1.822 4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.394 -3.128 3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.856 -3.404 4.362 1.00 0.00 H new ATOM 360 N ASP A 22 -10.590 -1.455 -1.226 1.00 0.00 N ATOM 361 CA ASP A 22 -10.150 -0.072 -1.363 1.00 0.00 C ATOM 362 C ASP A 22 -9.522 0.166 -2.730 1.00 0.00 C ATOM 363 O ASP A 22 -9.566 1.275 -3.261 1.00 0.00 O ATOM 364 CB ASP A 22 -9.166 0.280 -0.255 1.00 0.00 C ATOM 365 CG ASP A 22 -9.815 1.047 0.880 1.00 0.00 C ATOM 366 OD1 ASP A 22 -10.570 1.997 0.596 1.00 0.00 O ATOM 367 OD2 ASP A 22 -9.563 0.701 2.053 1.00 0.00 O ATOM 0 H ASP A 22 -10.080 -1.990 -0.523 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.023 0.575 -1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.723 -0.636 0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.353 0.874 -0.672 1.00 0.00 H new ATOM 372 N LEU A 23 -8.932 -0.884 -3.294 1.00 0.00 N ATOM 373 CA LEU A 23 -8.288 -0.788 -4.598 1.00 0.00 C ATOM 374 C LEU A 23 -9.232 -1.233 -5.711 1.00 0.00 C ATOM 375 O LEU A 23 -9.428 -0.519 -6.693 1.00 0.00 O ATOM 376 CB LEU A 23 -7.014 -1.635 -4.624 1.00 0.00 C ATOM 377 CG LEU A 23 -5.788 -0.980 -3.982 1.00 0.00 C ATOM 378 CD1 LEU A 23 -5.595 -1.484 -2.560 1.00 0.00 C ATOM 379 CD2 LEU A 23 -4.541 -1.243 -4.815 1.00 0.00 C ATOM 0 H LEU A 23 -8.887 -1.810 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.027 0.256 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.212 -2.578 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.777 -1.876 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.956 0.096 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.719 -1.007 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.476 -1.242 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.451 -2.564 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.681 -0.769 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.370 -2.317 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.678 -0.831 -5.815 1.00 0.00 H new ATOM 391 N GLY A 24 -9.813 -2.416 -5.550 1.00 0.00 N ATOM 392 CA GLY A 24 -10.730 -2.934 -6.549 1.00 0.00 C ATOM 393 C GLY A 24 -10.450 -4.387 -6.888 1.00 0.00 C ATOM 394 O GLY A 24 -11.340 -5.093 -7.372 1.00 0.00 O ATOM 0 H GLY A 24 -9.666 -3.026 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.753 -2.839 -6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.657 -2.331 -7.454 1.00 0.00 H new ATOM 398 N VAL A 25 -9.234 -4.836 -6.634 1.00 0.00 N ATOM 399 CA VAL A 25 -8.852 -6.214 -6.917 1.00 0.00 C ATOM 400 C VAL A 25 -9.341 -7.155 -5.821 1.00 0.00 C ATOM 401 O VAL A 25 -9.954 -6.721 -4.846 1.00 0.00 O ATOM 402 CB VAL A 25 -7.325 -6.356 -7.054 1.00 0.00 C ATOM 403 CG1 VAL A 25 -6.842 -5.715 -8.346 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.622 -5.746 -5.851 1.00 0.00 C ATOM 0 H VAL A 25 -8.490 -4.267 -6.231 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.322 -6.485 -7.863 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.079 -7.417 -7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.760 -5.826 -8.425 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.320 -6.204 -9.195 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.099 -4.656 -8.345 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.544 -5.856 -5.965 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.874 -4.688 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.944 -6.257 -4.944 1.00 0.00 H new ATOM 414 N GLN A 26 -9.069 -8.445 -5.991 1.00 0.00 N ATOM 415 CA GLN A 26 -9.484 -9.445 -5.015 1.00 0.00 C ATOM 416 C GLN A 26 -8.448 -9.586 -3.906 1.00 0.00 C ATOM 417 O GLN A 26 -7.426 -8.900 -3.905 1.00 0.00 O ATOM 418 CB GLN A 26 -9.702 -10.795 -5.701 1.00 0.00 C ATOM 419 CG GLN A 26 -8.486 -11.294 -6.464 1.00 0.00 C ATOM 420 CD GLN A 26 -8.818 -11.710 -7.884 1.00 0.00 C ATOM 421 OE1 GLN A 26 -8.827 -12.897 -8.208 1.00 0.00 O ATOM 422 NE2 GLN A 26 -9.092 -10.731 -8.739 1.00 0.00 N ATOM 0 H GLN A 26 -8.564 -8.821 -6.794 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.422 -9.115 -4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.977 -11.535 -4.949 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.543 -10.712 -6.389 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.729 -10.510 -6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.051 -12.141 -5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.073 -9.760 -8.426 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.322 -10.950 -9.708 1.00 0.00 H new ATOM 431 N GLN A 27 -8.719 -10.481 -2.961 1.00 0.00 N ATOM 432 CA GLN A 27 -7.809 -10.714 -1.845 1.00 0.00 C ATOM 433 C GLN A 27 -6.741 -11.739 -2.211 1.00 0.00 C ATOM 434 O GLN A 27 -5.671 -11.778 -1.605 1.00 0.00 O ATOM 435 CB GLN A 27 -8.586 -11.186 -0.616 1.00 0.00 C ATOM 436 CG GLN A 27 -9.644 -10.199 -0.148 1.00 0.00 C ATOM 437 CD GLN A 27 -11.030 -10.800 -0.126 1.00 0.00 C ATOM 438 OE1 GLN A 27 -11.760 -10.735 -1.114 1.00 0.00 O ATOM 439 NE2 GLN A 27 -11.410 -11.387 1.005 1.00 0.00 N ATOM 0 H GLN A 27 -9.561 -11.056 -2.946 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.313 -9.771 -1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.065 -12.138 -0.843 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.885 -11.368 0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.389 -9.846 0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.640 -9.329 -0.805 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.774 -11.419 1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.338 -11.805 1.076 1.00 0.00 H new ATOM 448 N SER A 28 -7.040 -12.567 -3.206 1.00 0.00 N ATOM 449 CA SER A 28 -6.106 -13.593 -3.653 1.00 0.00 C ATOM 450 C SER A 28 -4.826 -12.966 -4.198 1.00 0.00 C ATOM 451 O SER A 28 -3.760 -13.580 -4.159 1.00 0.00 O ATOM 452 CB SER A 28 -6.757 -14.470 -4.726 1.00 0.00 C ATOM 453 OG SER A 28 -7.330 -15.633 -4.155 1.00 0.00 O ATOM 0 H SER A 28 -7.922 -12.547 -3.718 1.00 0.00 H new ATOM 0 HA SER A 28 -5.846 -14.212 -2.794 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.526 -13.901 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.012 -14.755 -5.469 1.00 0.00 H new ATOM 0 HG SER A 28 -7.741 -16.175 -4.860 1.00 0.00 H new ATOM 459 N ALA A 29 -4.937 -11.743 -4.706 1.00 0.00 N ATOM 460 CA ALA A 29 -3.785 -11.039 -5.258 1.00 0.00 C ATOM 461 C ALA A 29 -2.994 -10.334 -4.161 1.00 0.00 C ATOM 462 O ALA A 29 -1.764 -10.312 -4.189 1.00 0.00 O ATOM 463 CB ALA A 29 -4.237 -10.039 -6.313 1.00 0.00 C ATOM 0 H ALA A 29 -5.811 -11.219 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.129 -11.774 -5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.368 -9.520 -6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.752 -10.566 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.915 -9.315 -5.861 1.00 0.00 H new ATOM 469 N ILE A 30 -3.707 -9.762 -3.198 1.00 0.00 N ATOM 470 CA ILE A 30 -3.066 -9.060 -2.093 1.00 0.00 C ATOM 471 C ILE A 30 -2.203 -10.009 -1.271 1.00 0.00 C ATOM 472 O ILE A 30 -1.087 -9.670 -0.879 1.00 0.00 O ATOM 473 CB ILE A 30 -4.103 -8.396 -1.166 1.00 0.00 C ATOM 474 CG1 ILE A 30 -5.114 -7.589 -1.982 1.00 0.00 C ATOM 475 CG2 ILE A 30 -3.408 -7.507 -0.145 1.00 0.00 C ATOM 476 CD1 ILE A 30 -4.478 -6.557 -2.889 1.00 0.00 C ATOM 0 H ILE A 30 -4.726 -9.770 -3.160 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.438 -8.285 -2.533 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.642 -9.179 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.709 -8.274 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.800 -7.087 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.153 -7.045 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.727 -8.108 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.845 -6.730 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.256 -6.024 -3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.906 -5.849 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.813 -7.054 -3.596 1.00 0.00 H new ATOM 488 N ASN A 31 -2.728 -11.203 -1.016 1.00 0.00 N ATOM 489 CA ASN A 31 -2.008 -12.204 -0.242 1.00 0.00 C ATOM 490 C ASN A 31 -0.758 -12.670 -0.982 1.00 0.00 C ATOM 491 O ASN A 31 0.274 -12.938 -0.369 1.00 0.00 O ATOM 492 CB ASN A 31 -2.918 -13.399 0.054 1.00 0.00 C ATOM 493 CG ASN A 31 -3.155 -13.591 1.540 1.00 0.00 C ATOM 494 OD1 ASN A 31 -2.226 -13.511 2.344 1.00 0.00 O ATOM 495 ND2 ASN A 31 -4.403 -13.847 1.911 1.00 0.00 N ATOM 0 H ASN A 31 -3.650 -11.500 -1.335 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.700 -11.749 0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.875 -13.257 -0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.472 -14.303 -0.360 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.624 -13.986 2.897 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.142 -13.904 1.210 1.00 0.00 H new ATOM 502 N LYS A 32 -0.860 -12.765 -2.305 1.00 0.00 N ATOM 503 CA LYS A 32 0.261 -13.203 -3.127 1.00 0.00 C ATOM 504 C LYS A 32 1.326 -12.118 -3.232 1.00 0.00 C ATOM 505 O LYS A 32 2.504 -12.410 -3.437 1.00 0.00 O ATOM 506 CB LYS A 32 -0.223 -13.594 -4.523 1.00 0.00 C ATOM 507 CG LYS A 32 -1.275 -14.691 -4.517 1.00 0.00 C ATOM 508 CD LYS A 32 -0.641 -16.074 -4.552 1.00 0.00 C ATOM 509 CE LYS A 32 -0.872 -16.827 -3.251 1.00 0.00 C ATOM 510 NZ LYS A 32 -0.654 -18.291 -3.410 1.00 0.00 N ATOM 0 H LYS A 32 -1.707 -12.545 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 32 0.706 -14.074 -2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.632 -12.713 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.631 -13.924 -5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.895 -14.597 -3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.933 -14.570 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.056 -16.645 -5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.430 -15.980 -4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.200 -16.441 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.889 -16.647 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.821 -18.768 -2.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.312 -18.665 -4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.324 -18.465 -3.717 1.00 0.00 H new ATOM 524 N TRP A 33 0.904 -10.870 -3.099 1.00 0.00 N ATOM 525 CA TRP A 33 1.808 -9.743 -3.184 1.00 0.00 C ATOM 526 C TRP A 33 2.750 -9.696 -1.986 1.00 0.00 C ATOM 527 O TRP A 33 3.959 -9.524 -2.139 1.00 0.00 O ATOM 528 CB TRP A 33 0.980 -8.472 -3.264 1.00 0.00 C ATOM 529 CG TRP A 33 0.315 -8.290 -4.580 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.560 -8.995 -5.704 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.716 -7.360 -4.899 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.240 -8.552 -6.729 1.00 0.00 N ATOM 533 CE2 TRP A 33 -1.037 -7.544 -6.255 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.391 -6.388 -4.170 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -2.009 -6.784 -6.898 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.360 -5.632 -4.804 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.659 -5.834 -6.158 1.00 0.00 C ATOM 0 H TRP A 33 -0.069 -10.615 -2.930 1.00 0.00 H new ATOM 0 HA TRP A 33 2.429 -9.843 -4.074 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.222 -8.489 -2.480 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.623 -7.614 -3.067 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.282 -9.794 -5.786 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.240 -8.913 -7.683 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.163 -6.226 -3.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.242 -6.938 -7.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.894 -4.875 -4.248 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.419 -5.227 -6.628 1.00 0.00 H new ATOM 548 N ILE A 34 2.187 -9.852 -0.792 1.00 0.00 N ATOM 549 CA ILE A 34 2.977 -9.829 0.434 1.00 0.00 C ATOM 550 C ILE A 34 3.577 -11.202 0.730 1.00 0.00 C ATOM 551 O ILE A 34 4.566 -11.313 1.456 1.00 0.00 O ATOM 552 CB ILE A 34 2.130 -9.382 1.640 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.351 -8.110 1.302 1.00 0.00 C ATOM 554 CG2 ILE A 34 3.016 -9.160 2.857 1.00 0.00 C ATOM 555 CD1 ILE A 34 0.215 -7.825 2.259 1.00 0.00 C ATOM 0 H ILE A 34 1.188 -9.996 -0.647 1.00 0.00 H new ATOM 0 HA ILE A 34 3.781 -9.110 0.277 1.00 0.00 H new ATOM 0 HB ILE A 34 1.415 -10.171 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.037 -7.263 1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.951 -8.196 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.403 -8.844 3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.529 -10.089 3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.752 -8.388 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.293 -6.909 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.492 -8.654 2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.610 -7.706 3.268 1.00 0.00 H new ATOM 567 N HIS A 35 2.974 -12.244 0.164 1.00 0.00 N ATOM 568 CA HIS A 35 3.449 -13.608 0.369 1.00 0.00 C ATOM 569 C HIS A 35 4.897 -13.758 -0.077 1.00 0.00 C ATOM 570 O HIS A 35 5.637 -14.592 0.444 1.00 0.00 O ATOM 571 CB HIS A 35 2.564 -14.589 -0.400 1.00 0.00 C ATOM 572 CG HIS A 35 1.567 -15.302 0.458 1.00 0.00 C ATOM 573 ND1 HIS A 35 1.225 -14.885 1.727 1.00 0.00 N ATOM 574 CD2 HIS A 35 0.835 -16.415 0.221 1.00 0.00 C ATOM 575 CE1 HIS A 35 0.327 -15.710 2.234 1.00 0.00 C ATOM 576 NE2 HIS A 35 0.073 -16.647 1.340 1.00 0.00 N ATOM 0 H HIS A 35 2.156 -12.169 -0.440 1.00 0.00 H new ATOM 0 HA HIS A 35 3.396 -13.830 1.435 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.034 -14.048 -1.184 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.198 -15.326 -0.894 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.848 -17.010 -0.680 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.123 -15.631 3.213 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.583 -17.419 1.461 1.00 0.00 H new ATOM 585 N ALA A 36 5.291 -12.948 -1.046 1.00 0.00 N ATOM 586 CA ALA A 36 6.650 -12.987 -1.573 1.00 0.00 C ATOM 587 C ALA A 36 7.445 -11.744 -1.178 1.00 0.00 C ATOM 588 O ALA A 36 8.565 -11.540 -1.646 1.00 0.00 O ATOM 589 CB ALA A 36 6.617 -13.135 -3.086 1.00 0.00 C ATOM 0 H ALA A 36 4.689 -12.253 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 36 7.153 -13.850 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.636 -13.163 -3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.104 -14.060 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.087 -12.288 -3.523 1.00 0.00 H new ATOM 595 N GLY A 37 6.864 -10.914 -0.315 1.00 0.00 N ATOM 596 CA GLY A 37 7.540 -9.707 0.122 1.00 0.00 C ATOM 597 C GLY A 37 7.814 -8.748 -1.019 1.00 0.00 C ATOM 598 O GLY A 37 8.825 -8.046 -1.020 1.00 0.00 O ATOM 0 H GLY A 37 5.938 -11.057 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.931 -9.206 0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.482 -9.975 0.601 1.00 0.00 H new ATOM 602 N ARG A 38 6.912 -8.718 -1.995 1.00 0.00 N ATOM 603 CA ARG A 38 7.063 -7.837 -3.146 1.00 0.00 C ATOM 604 C ARG A 38 6.909 -6.375 -2.736 1.00 0.00 C ATOM 605 O ARG A 38 5.881 -5.979 -2.189 1.00 0.00 O ATOM 606 CB ARG A 38 6.033 -8.189 -4.221 1.00 0.00 C ATOM 607 CG ARG A 38 6.178 -7.368 -5.492 1.00 0.00 C ATOM 608 CD ARG A 38 5.057 -7.663 -6.476 1.00 0.00 C ATOM 609 NE ARG A 38 5.087 -6.763 -7.627 1.00 0.00 N ATOM 610 CZ ARG A 38 4.055 -6.570 -8.445 1.00 0.00 C ATOM 611 NH1 ARG A 38 2.911 -7.211 -8.244 1.00 0.00 N ATOM 612 NH2 ARG A 38 4.169 -5.733 -9.467 1.00 0.00 N ATOM 0 H ARG A 38 6.070 -9.293 -2.011 1.00 0.00 H new ATOM 0 HA ARG A 38 8.065 -7.978 -3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.125 -9.247 -4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.032 -8.042 -3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.176 -6.307 -5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.139 -7.584 -5.958 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.139 -8.694 -6.820 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.096 -7.571 -5.969 1.00 0.00 H new ATOM 0 HE ARG A 38 5.950 -6.253 -7.815 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.819 -7.856 -7.459 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.124 -7.059 -8.874 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.047 -5.238 -9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.379 -5.584 -10.095 1.00 0.00 H new ATOM 626 N LYS A 39 7.938 -5.580 -3.006 1.00 0.00 N ATOM 627 CA LYS A 39 7.917 -4.162 -2.665 1.00 0.00 C ATOM 628 C LYS A 39 6.791 -3.442 -3.400 1.00 0.00 C ATOM 629 O LYS A 39 6.762 -3.407 -4.629 1.00 0.00 O ATOM 630 CB LYS A 39 9.260 -3.514 -3.007 1.00 0.00 C ATOM 631 CG LYS A 39 9.753 -3.836 -4.409 1.00 0.00 C ATOM 632 CD LYS A 39 10.562 -2.690 -4.992 1.00 0.00 C ATOM 633 CE LYS A 39 12.056 -2.920 -4.820 1.00 0.00 C ATOM 634 NZ LYS A 39 12.850 -2.224 -5.869 1.00 0.00 N ATOM 0 H LYS A 39 8.797 -5.893 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 39 7.741 -4.075 -1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.169 -2.433 -2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.007 -3.842 -2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.365 -4.738 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.901 -4.047 -5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.329 -2.580 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.278 -1.757 -4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.366 -2.568 -3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.265 -3.989 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.862 -2.406 -5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.572 -2.578 -6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.671 -1.201 -5.818 1.00 0.00 H new ATOM 648 N ILE A 40 5.863 -2.871 -2.638 1.00 0.00 N ATOM 649 CA ILE A 40 4.736 -2.153 -3.218 1.00 0.00 C ATOM 650 C ILE A 40 4.271 -1.025 -2.302 1.00 0.00 C ATOM 651 O ILE A 40 4.541 -1.034 -1.102 1.00 0.00 O ATOM 652 CB ILE A 40 3.547 -3.099 -3.491 1.00 0.00 C ATOM 653 CG1 ILE A 40 4.005 -4.299 -4.320 1.00 0.00 C ATOM 654 CG2 ILE A 40 2.425 -2.354 -4.202 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.883 -5.243 -4.689 1.00 0.00 C ATOM 0 H ILE A 40 5.870 -2.892 -1.618 1.00 0.00 H new ATOM 0 HA ILE A 40 5.082 -1.732 -4.162 1.00 0.00 H new ATOM 0 HB ILE A 40 3.165 -3.462 -2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.481 -3.939 -5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.762 -4.849 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.595 -3.036 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.084 -1.528 -3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.792 -1.964 -5.151 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.282 -6.070 -5.276 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.421 -5.632 -3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.136 -4.708 -5.276 1.00 0.00 H new ATOM 667 N PHE A 41 3.565 -0.059 -2.880 1.00 0.00 N ATOM 668 CA PHE A 41 3.056 1.077 -2.119 1.00 0.00 C ATOM 669 C PHE A 41 1.642 1.437 -2.568 1.00 0.00 C ATOM 670 O PHE A 41 1.275 1.220 -3.723 1.00 0.00 O ATOM 671 CB PHE A 41 3.977 2.286 -2.284 1.00 0.00 C ATOM 672 CG PHE A 41 5.343 2.090 -1.690 1.00 0.00 C ATOM 673 CD1 PHE A 41 5.553 2.266 -0.331 1.00 0.00 C ATOM 674 CD2 PHE A 41 6.415 1.729 -2.489 1.00 0.00 C ATOM 675 CE1 PHE A 41 6.809 2.087 0.217 1.00 0.00 C ATOM 676 CE2 PHE A 41 7.673 1.547 -1.946 1.00 0.00 C ATOM 677 CZ PHE A 41 7.869 1.727 -0.591 1.00 0.00 C ATOM 0 H PHE A 41 3.332 -0.040 -3.873 1.00 0.00 H new ATOM 0 HA PHE A 41 3.027 0.794 -1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.081 2.510 -3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.509 3.154 -1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.727 2.546 0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.266 1.588 -3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.961 2.229 1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.501 1.265 -2.580 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.851 1.586 -0.164 1.00 0.00 H new ATOM 687 N LEU A 42 0.857 1.990 -1.651 1.00 0.00 N ATOM 688 CA LEU A 42 -0.512 2.380 -1.957 1.00 0.00 C ATOM 689 C LEU A 42 -0.829 3.753 -1.370 1.00 0.00 C ATOM 690 O LEU A 42 -0.700 3.969 -0.165 1.00 0.00 O ATOM 691 CB LEU A 42 -1.497 1.336 -1.426 1.00 0.00 C ATOM 692 CG LEU A 42 -1.669 1.307 0.095 1.00 0.00 C ATOM 693 CD1 LEU A 42 -2.736 0.296 0.493 1.00 0.00 C ATOM 694 CD2 LEU A 42 -0.347 0.986 0.776 1.00 0.00 C ATOM 0 H LEU A 42 1.145 2.178 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.614 2.438 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.471 1.516 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.168 0.351 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.993 2.295 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.844 0.289 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.686 0.571 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.442 -0.697 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.489 0.970 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.007 0.011 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.389 1.747 0.518 1.00 0.00 H new ATOM 706 N THR A 43 -1.241 4.676 -2.231 1.00 0.00 N ATOM 707 CA THR A 43 -1.573 6.029 -1.799 1.00 0.00 C ATOM 708 C THR A 43 -3.057 6.143 -1.464 1.00 0.00 C ATOM 709 O THR A 43 -3.915 5.896 -2.311 1.00 0.00 O ATOM 710 CB THR A 43 -1.205 7.040 -2.883 1.00 0.00 C ATOM 711 OG1 THR A 43 -0.168 6.536 -3.707 1.00 0.00 O ATOM 712 CG2 THR A 43 -0.744 8.371 -2.328 1.00 0.00 C ATOM 0 H THR A 43 -1.353 4.513 -3.232 1.00 0.00 H new ATOM 0 HA THR A 43 -0.997 6.247 -0.900 1.00 0.00 H new ATOM 0 HB THR A 43 -2.120 7.199 -3.453 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.558 6.060 -4.470 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.498 9.043 -3.151 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.540 8.810 -1.727 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.139 8.220 -1.707 1.00 0.00 H new ATOM 720 N ILE A 44 -3.352 6.519 -0.223 1.00 0.00 N ATOM 721 CA ILE A 44 -4.732 6.666 0.221 1.00 0.00 C ATOM 722 C ILE A 44 -5.303 8.016 -0.197 1.00 0.00 C ATOM 723 O ILE A 44 -4.606 9.030 -0.176 1.00 0.00 O ATOM 724 CB ILE A 44 -4.854 6.521 1.751 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.179 5.232 2.218 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.316 6.545 2.172 1.00 0.00 C ATOM 727 CD1 ILE A 44 -3.992 5.156 3.718 1.00 0.00 C ATOM 0 H ILE A 44 -2.654 6.727 0.491 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.302 5.869 -0.256 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.348 7.364 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.775 4.380 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.206 5.145 1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.385 6.442 3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.767 7.490 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.846 5.721 1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.507 4.215 3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.370 5.988 4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.964 5.211 4.209 1.00 0.00 H new ATOM 739 N ASN A 45 -6.578 8.021 -0.569 1.00 0.00 N ATOM 740 CA ASN A 45 -7.247 9.247 -0.987 1.00 0.00 C ATOM 741 C ASN A 45 -8.121 9.796 0.134 1.00 0.00 C ATOM 742 O ASN A 45 -8.675 9.039 0.931 1.00 0.00 O ATOM 743 CB ASN A 45 -8.098 8.991 -2.232 1.00 0.00 C ATOM 744 CG ASN A 45 -7.258 8.662 -3.450 1.00 0.00 C ATOM 745 OD1 ASN A 45 -6.620 9.537 -4.034 1.00 0.00 O ATOM 746 ND2 ASN A 45 -7.255 7.392 -3.840 1.00 0.00 N ATOM 0 H ASN A 45 -7.169 7.190 -0.590 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.482 9.986 -1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.786 8.168 -2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.706 9.872 -2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.709 7.110 -4.654 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.799 6.699 -3.326 1.00 0.00 H new ATOM 753 N ALA A 46 -8.240 11.118 0.191 1.00 0.00 N ATOM 754 CA ALA A 46 -9.048 11.770 1.215 1.00 0.00 C ATOM 755 C ALA A 46 -10.500 11.317 1.146 1.00 0.00 C ATOM 756 O ALA A 46 -11.250 11.457 2.114 1.00 0.00 O ATOM 757 CB ALA A 46 -8.957 13.282 1.073 1.00 0.00 C ATOM 0 H ALA A 46 -7.787 11.759 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.654 11.481 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.565 13.757 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.919 13.596 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.322 13.578 0.089 1.00 0.00 H new ATOM 763 N ASP A 47 -10.900 10.776 -0.001 1.00 0.00 N ATOM 764 CA ASP A 47 -12.260 10.309 -0.196 1.00 0.00 C ATOM 765 C ASP A 47 -12.460 8.934 0.430 1.00 0.00 C ATOM 766 O ASP A 47 -13.590 8.549 0.751 1.00 0.00 O ATOM 767 CB ASP A 47 -12.570 10.256 -1.688 1.00 0.00 C ATOM 768 CG ASP A 47 -11.490 9.572 -2.494 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.960 8.544 -2.023 1.00 0.00 O ATOM 770 OD2 ASP A 47 -11.170 10.062 -3.597 1.00 0.00 O ATOM 0 H ASP A 47 -10.294 10.652 -0.812 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.941 11.005 0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.514 9.732 -1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.706 11.271 -2.061 1.00 0.00 H new ATOM 775 N GLY A 48 -11.370 8.198 0.601 1.00 0.00 N ATOM 776 CA GLY A 48 -11.450 6.874 1.188 1.00 0.00 C ATOM 777 C GLY A 48 -11.070 5.777 0.211 1.00 0.00 C ATOM 778 O GLY A 48 -11.390 4.608 0.428 1.00 0.00 O ATOM 0 H GLY A 48 -10.429 8.495 0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.793 6.826 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.465 6.700 1.546 1.00 0.00 H new ATOM 782 N SER A 49 -10.380 6.150 -0.862 1.00 0.00 N ATOM 783 CA SER A 49 -9.958 5.183 -1.868 1.00 0.00 C ATOM 784 C SER A 49 -8.459 4.925 -1.769 1.00 0.00 C ATOM 785 O SER A 49 -7.741 5.646 -1.074 1.00 0.00 O ATOM 786 CB SER A 49 -10.310 5.676 -3.267 1.00 0.00 C ATOM 787 OG SER A 49 -11.220 4.790 -3.904 1.00 0.00 O ATOM 0 H SER A 49 -10.102 7.112 -1.057 1.00 0.00 H new ATOM 0 HA SER A 49 -10.487 4.248 -1.682 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.749 6.672 -3.206 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.403 5.763 -3.865 1.00 0.00 H new ATOM 0 HG SER A 49 -11.433 5.127 -4.799 1.00 0.00 H new ATOM 793 N VAL A 50 -7.991 3.896 -2.465 1.00 0.00 N ATOM 794 CA VAL A 50 -6.574 3.547 -2.449 1.00 0.00 C ATOM 795 C VAL A 50 -6.150 2.907 -3.765 1.00 0.00 C ATOM 796 O VAL A 50 -6.890 2.111 -4.344 1.00 0.00 O ATOM 797 CB VAL A 50 -6.239 2.578 -1.295 1.00 0.00 C ATOM 798 CG1 VAL A 50 -4.760 2.652 -0.949 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.094 2.872 -0.070 1.00 0.00 C ATOM 0 H VAL A 50 -8.569 3.289 -3.046 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.026 4.478 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.465 1.565 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.542 1.962 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.168 2.380 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.508 3.667 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.838 2.175 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.910 3.892 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.147 2.759 -0.326 1.00 0.00 H new ATOM 809 N TYR A 51 -4.954 3.251 -4.230 1.00 0.00 N ATOM 810 CA TYR A 51 -4.434 2.700 -5.475 1.00 0.00 C ATOM 811 C TYR A 51 -3.024 2.154 -5.277 1.00 0.00 C ATOM 812 O TYR A 51 -2.197 2.770 -4.605 1.00 0.00 O ATOM 813 CB TYR A 51 -4.443 3.760 -6.580 1.00 0.00 C ATOM 814 CG TYR A 51 -3.470 4.898 -6.354 1.00 0.00 C ATOM 815 CD1 TYR A 51 -2.102 4.711 -6.518 1.00 0.00 C ATOM 816 CD2 TYR A 51 -3.920 6.158 -5.982 1.00 0.00 C ATOM 817 CE1 TYR A 51 -1.212 5.747 -6.315 1.00 0.00 C ATOM 818 CE2 TYR A 51 -3.036 7.200 -5.778 1.00 0.00 C ATOM 819 CZ TYR A 51 -1.683 6.991 -5.947 1.00 0.00 C ATOM 820 OH TYR A 51 -0.799 8.026 -5.746 1.00 0.00 O ATOM 0 H TYR A 51 -4.328 3.908 -3.764 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.083 1.878 -5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.210 3.280 -7.531 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.450 4.169 -6.668 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.730 3.740 -6.809 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.979 6.326 -5.850 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.152 5.585 -6.444 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.403 8.174 -5.488 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.161 7.780 -5.044 1.00 0.00 H new ATOM 830 N ALA A 52 -2.757 0.990 -5.861 1.00 0.00 N ATOM 831 CA ALA A 52 -1.450 0.358 -5.744 1.00 0.00 C ATOM 832 C ALA A 52 -0.495 0.860 -6.821 1.00 0.00 C ATOM 833 O ALA A 52 -0.873 1.005 -7.982 1.00 0.00 O ATOM 834 CB ALA A 52 -1.587 -1.154 -5.822 1.00 0.00 C ATOM 0 H ALA A 52 -3.430 0.466 -6.420 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.032 0.626 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.603 -1.614 -5.733 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.225 -1.504 -5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.031 -1.430 -6.778 1.00 0.00 H new ATOM 840 N GLU A 53 0.747 1.122 -6.426 1.00 0.00 N ATOM 841 CA GLU A 53 1.760 1.607 -7.356 1.00 0.00 C ATOM 842 C GLU A 53 3.033 0.774 -7.251 1.00 0.00 C ATOM 843 O GLU A 53 3.186 -0.030 -6.332 1.00 0.00 O ATOM 844 CB GLU A 53 2.074 3.079 -7.084 1.00 0.00 C ATOM 845 CG GLU A 53 2.698 3.327 -5.720 1.00 0.00 C ATOM 846 CD GLU A 53 3.299 4.713 -5.596 1.00 0.00 C ATOM 847 OE1 GLU A 53 4.318 4.979 -6.267 1.00 0.00 O ATOM 848 OE2 GLU A 53 2.750 5.531 -4.829 1.00 0.00 O ATOM 0 H GLU A 53 1.076 1.006 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 53 1.365 1.511 -8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.751 3.446 -7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.154 3.659 -7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.940 3.194 -4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.472 2.582 -5.538 1.00 0.00 H new ATOM 855 N GLU A 54 3.943 0.968 -8.201 1.00 0.00 N ATOM 856 CA GLU A 54 5.201 0.231 -8.214 1.00 0.00 C ATOM 857 C GLU A 54 6.391 1.180 -8.305 1.00 0.00 C ATOM 858 O GLU A 54 6.239 2.352 -8.653 1.00 0.00 O ATOM 859 CB GLU A 54 5.228 -0.751 -9.387 1.00 0.00 C ATOM 860 CG GLU A 54 5.892 -2.077 -9.055 1.00 0.00 C ATOM 861 CD GLU A 54 6.783 -2.579 -10.173 1.00 0.00 C ATOM 862 OE1 GLU A 54 7.973 -2.202 -10.200 1.00 0.00 O ATOM 863 OE2 GLU A 54 6.291 -3.351 -11.023 1.00 0.00 O ATOM 0 H GLU A 54 3.832 1.628 -8.970 1.00 0.00 H new ATOM 0 HA GLU A 54 5.275 -0.325 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.206 -0.938 -9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.753 -0.290 -10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.484 -1.965 -8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.124 -2.821 -8.846 1.00 0.00 H new ATOM 870 N VAL A 55 7.577 0.668 -7.988 1.00 0.00 N ATOM 871 CA VAL A 55 8.795 1.468 -8.033 1.00 0.00 C ATOM 872 C VAL A 55 9.849 0.811 -8.918 1.00 0.00 C ATOM 873 O VAL A 55 10.479 -0.170 -8.524 1.00 0.00 O ATOM 874 CB VAL A 55 9.382 1.677 -6.626 1.00 0.00 C ATOM 875 CG1 VAL A 55 10.530 2.673 -6.668 1.00 0.00 C ATOM 876 CG2 VAL A 55 8.301 2.138 -5.658 1.00 0.00 C ATOM 0 H VAL A 55 7.719 -0.299 -7.697 1.00 0.00 H new ATOM 0 HA VAL A 55 8.523 2.437 -8.452 1.00 0.00 H new ATOM 0 HB VAL A 55 9.772 0.723 -6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.932 2.808 -5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.314 2.297 -7.325 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.168 3.630 -7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.735 2.280 -4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.877 3.080 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.515 1.384 -5.604 1.00 0.00 H new ATOM 886 N LYS A 56 10.034 1.359 -10.116 1.00 0.00 N ATOM 887 CA LYS A 56 11.013 0.823 -11.056 1.00 0.00 C ATOM 888 C LYS A 56 11.727 1.952 -11.799 1.00 0.00 C ATOM 889 O LYS A 56 11.103 2.940 -12.186 1.00 0.00 O ATOM 890 CB LYS A 56 10.328 -0.110 -12.056 1.00 0.00 C ATOM 891 CG LYS A 56 11.281 -0.717 -13.073 1.00 0.00 C ATOM 892 CD LYS A 56 10.527 -1.381 -14.214 1.00 0.00 C ATOM 893 CE LYS A 56 10.199 -2.830 -13.897 1.00 0.00 C ATOM 894 NZ LYS A 56 9.144 -3.372 -14.798 1.00 0.00 N ATOM 0 H LYS A 56 9.520 2.171 -10.458 1.00 0.00 H new ATOM 0 HA LYS A 56 11.755 0.258 -10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.832 -0.913 -11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.551 0.444 -12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.934 0.060 -13.470 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.920 -1.451 -12.582 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.605 -0.833 -14.410 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.126 -1.333 -15.124 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.101 -3.435 -13.990 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.867 -2.909 -12.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.950 -4.363 -14.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.275 -2.811 -14.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.470 -3.321 -15.784 1.00 0.00 H new ATOM 908 N PRO A 57 13.050 1.822 -12.007 1.00 0.00 N ATOM 909 CA PRO A 57 13.840 2.839 -12.709 1.00 0.00 C ATOM 910 C PRO A 57 13.510 2.904 -14.195 1.00 0.00 C ATOM 911 O PRO A 57 12.519 2.330 -14.648 1.00 0.00 O ATOM 912 CB PRO A 57 15.282 2.374 -12.500 1.00 0.00 C ATOM 913 CG PRO A 57 15.181 0.905 -12.289 1.00 0.00 C ATOM 914 CD PRO A 57 13.875 0.677 -11.579 1.00 0.00 C ATOM 0 HA PRO A 57 13.643 3.842 -12.331 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.902 2.608 -13.365 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.736 2.867 -11.640 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.207 0.372 -13.239 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.018 0.538 -11.695 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.423 -0.273 -11.864 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.004 0.657 -10.497 1.00 0.00 H new ATOM 922 N ASP A 58 14.346 3.608 -14.952 1.00 0.00 N ATOM 923 CA ASP A 58 14.142 3.749 -16.389 1.00 0.00 C ATOM 924 C ASP A 58 15.293 3.111 -17.168 1.00 0.00 C ATOM 925 O ASP A 58 16.040 3.798 -17.864 1.00 0.00 O ATOM 926 CB ASP A 58 14.012 5.227 -16.764 1.00 0.00 C ATOM 927 CG ASP A 58 13.547 5.420 -18.194 1.00 0.00 C ATOM 928 OD1 ASP A 58 13.743 4.497 -19.012 1.00 0.00 O ATOM 929 OD2 ASP A 58 12.987 6.495 -18.497 1.00 0.00 O ATOM 0 H ASP A 58 15.171 4.089 -14.594 1.00 0.00 H new ATOM 0 HA ASP A 58 13.219 3.233 -16.653 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.308 5.711 -16.087 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.975 5.720 -16.628 1.00 0.00 H new ATOM 934 N PRO A 59 15.449 1.780 -17.058 1.00 0.00 N ATOM 935 CA PRO A 59 16.514 1.051 -17.756 1.00 0.00 C ATOM 936 C PRO A 59 16.286 0.993 -19.263 1.00 0.00 C ATOM 937 O PRO A 59 16.114 -0.083 -19.836 1.00 0.00 O ATOM 938 CB PRO A 59 16.439 -0.352 -17.147 1.00 0.00 C ATOM 939 CG PRO A 59 15.029 -0.491 -16.689 1.00 0.00 C ATOM 940 CD PRO A 59 14.602 0.883 -16.250 1.00 0.00 C ATOM 0 HA PRO A 59 17.485 1.531 -17.636 1.00 0.00 H new ATOM 0 HB2 PRO A 59 16.694 -1.116 -17.881 1.00 0.00 H new ATOM 0 HB3 PRO A 59 17.137 -0.461 -16.317 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.392 -0.860 -17.493 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.953 -1.205 -15.869 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.542 1.054 -16.439 1.00 0.00 H new ATOM 0 HD3 PRO A 59 14.764 1.032 -15.182 1.00 0.00 H new ATOM 948 N SER A 60 16.284 2.159 -19.900 1.00 0.00 N ATOM 949 CA SER A 60 16.078 2.242 -21.342 1.00 0.00 C ATOM 950 C SER A 60 17.394 2.511 -22.065 1.00 0.00 C ATOM 951 O SER A 60 17.423 3.195 -23.088 1.00 0.00 O ATOM 952 CB SER A 60 15.069 3.344 -21.670 1.00 0.00 C ATOM 953 OG SER A 60 14.728 3.331 -23.046 1.00 0.00 O ATOM 0 H SER A 60 16.423 3.059 -19.441 1.00 0.00 H new ATOM 0 HA SER A 60 15.685 1.284 -21.684 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.170 3.209 -21.068 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.487 4.315 -21.405 1.00 0.00 H new ATOM 0 HG SER A 60 15.546 3.312 -23.586 1.00 0.00 H new ATOM 959 N ASN A 61 18.480 1.965 -21.528 1.00 0.00 N ATOM 960 CA ASN A 61 19.800 2.144 -22.123 1.00 0.00 C ATOM 961 C ASN A 61 20.358 0.814 -22.621 1.00 0.00 C ATOM 962 O ASN A 61 20.369 -0.177 -21.891 1.00 0.00 O ATOM 963 CB ASN A 61 20.759 2.767 -21.105 1.00 0.00 C ATOM 964 CG ASN A 61 21.061 4.222 -21.412 1.00 0.00 C ATOM 965 OD1 ASN A 61 20.998 5.080 -20.531 1.00 0.00 O ATOM 966 ND2 ASN A 61 21.392 4.505 -22.666 1.00 0.00 N ATOM 0 H ASN A 61 18.472 1.395 -20.682 1.00 0.00 H new ATOM 0 HA ASN A 61 19.700 2.815 -22.976 1.00 0.00 H new ATOM 0 HB2 ASN A 61 20.326 2.691 -20.108 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.690 2.200 -21.092 1.00 0.00 H new ATOM 0 HD21 ASN A 61 21.607 5.466 -22.932 1.00 0.00 H new ATOM 0 HD22 ASN A 61 21.432 3.762 -23.363 1.00 0.00 H new ATOM 973 N LYS A 62 20.818 0.801 -23.867 1.00 0.00 N ATOM 974 CA LYS A 62 21.377 -0.407 -24.463 1.00 0.00 C ATOM 975 C LYS A 62 22.889 -0.282 -24.637 1.00 0.00 C ATOM 976 O LYS A 62 23.605 -1.283 -24.646 1.00 0.00 O ATOM 977 CB LYS A 62 20.715 -0.682 -25.817 1.00 0.00 C ATOM 978 CG LYS A 62 19.752 -1.860 -25.793 1.00 0.00 C ATOM 979 CD LYS A 62 20.493 -3.185 -25.700 1.00 0.00 C ATOM 980 CE LYS A 62 19.977 -4.187 -26.720 1.00 0.00 C ATOM 981 NZ LYS A 62 20.240 -3.744 -28.117 1.00 0.00 N ATOM 0 H LYS A 62 20.815 1.613 -24.484 1.00 0.00 H new ATOM 0 HA LYS A 62 21.178 -1.241 -23.790 1.00 0.00 H new ATOM 0 HB2 LYS A 62 20.177 0.210 -26.138 1.00 0.00 H new ATOM 0 HB3 LYS A 62 21.490 -0.871 -26.560 1.00 0.00 H new ATOM 0 HG2 LYS A 62 19.075 -1.760 -24.945 1.00 0.00 H new ATOM 0 HG3 LYS A 62 19.138 -1.848 -26.694 1.00 0.00 H new ATOM 0 HD2 LYS A 62 21.558 -3.019 -25.859 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.381 -3.596 -24.697 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.451 -5.154 -26.551 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.905 -4.328 -26.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.262 -4.572 -28.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.486 -3.096 -28.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.156 -3.254 -28.159 1.00 0.00 H new ATOM 995 N LYS A 63 23.367 0.950 -24.775 1.00 0.00 N ATOM 996 CA LYS A 63 24.793 1.200 -24.948 1.00 0.00 C ATOM 997 C LYS A 63 25.521 1.147 -23.608 1.00 0.00 C ATOM 998 O LYS A 63 25.065 1.721 -22.620 1.00 0.00 O ATOM 999 CB LYS A 63 25.016 2.562 -25.607 1.00 0.00 C ATOM 1000 CG LYS A 63 25.008 2.510 -27.127 1.00 0.00 C ATOM 1001 CD LYS A 63 24.650 3.861 -27.728 1.00 0.00 C ATOM 1002 CE LYS A 63 25.008 3.926 -29.204 1.00 0.00 C ATOM 1003 NZ LYS A 63 23.800 3.860 -30.073 1.00 0.00 N ATOM 0 H LYS A 63 22.789 1.790 -24.770 1.00 0.00 H new ATOM 0 HA LYS A 63 25.198 0.420 -25.593 1.00 0.00 H new ATOM 0 HB2 LYS A 63 24.241 3.250 -25.271 1.00 0.00 H new ATOM 0 HB3 LYS A 63 25.970 2.968 -25.270 1.00 0.00 H new ATOM 0 HG2 LYS A 63 25.989 2.199 -27.487 1.00 0.00 H new ATOM 0 HG3 LYS A 63 24.292 1.760 -27.463 1.00 0.00 H new ATOM 0 HD2 LYS A 63 23.583 4.045 -27.603 1.00 0.00 H new ATOM 0 HD3 LYS A 63 25.175 4.650 -27.190 1.00 0.00 H new ATOM 0 HE2 LYS A 63 25.550 4.850 -29.406 1.00 0.00 H new ATOM 0 HE3 LYS A 63 25.678 3.103 -29.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.088 3.907 -31.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 23.296 2.967 -29.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 23.172 4.660 -29.855 1.00 0.00 H new ATOM 1017 N THR A 64 26.655 0.453 -23.584 1.00 0.00 N ATOM 1018 CA THR A 64 27.446 0.324 -22.365 1.00 0.00 C ATOM 1019 C THR A 64 28.937 0.280 -22.688 1.00 0.00 C ATOM 1020 O THR A 64 29.500 -0.791 -22.918 1.00 0.00 O ATOM 1021 CB THR A 64 27.040 -0.936 -21.599 1.00 0.00 C ATOM 1022 OG1 THR A 64 26.573 -1.935 -22.489 1.00 0.00 O ATOM 1023 CG2 THR A 64 25.954 -0.688 -20.575 1.00 0.00 C ATOM 0 H THR A 64 27.046 -0.028 -24.394 1.00 0.00 H new ATOM 0 HA THR A 64 27.253 1.197 -21.741 1.00 0.00 H new ATOM 0 HB THR A 64 27.940 -1.262 -21.078 1.00 0.00 H new ATOM 0 HG1 THR A 64 26.320 -2.734 -21.981 1.00 0.00 H new ATOM 0 HG21 THR A 64 25.713 -1.622 -20.067 1.00 0.00 H new ATOM 0 HG22 THR A 64 26.302 0.043 -19.845 1.00 0.00 H new ATOM 0 HG23 THR A 64 25.064 -0.306 -21.074 1.00 0.00 H new ATOM 1031 N THR A 65 29.567 1.449 -22.704 1.00 0.00 N ATOM 1032 CA THR A 65 30.993 1.544 -22.998 1.00 0.00 C ATOM 1033 C THR A 65 31.618 2.737 -22.283 1.00 0.00 C ATOM 1034 O THR A 65 32.672 2.618 -21.661 1.00 0.00 O ATOM 1035 CB THR A 65 31.217 1.663 -24.506 1.00 0.00 C ATOM 1036 OG1 THR A 65 30.137 2.343 -25.119 1.00 0.00 O ATOM 1037 CG2 THR A 65 31.369 0.325 -25.196 1.00 0.00 C ATOM 0 H THR A 65 29.114 2.344 -22.517 1.00 0.00 H new ATOM 0 HA THR A 65 31.474 0.635 -22.637 1.00 0.00 H new ATOM 0 HB THR A 65 32.148 2.218 -24.618 1.00 0.00 H new ATOM 0 HG1 THR A 65 30.298 2.411 -26.083 1.00 0.00 H new ATOM 0 HG21 THR A 65 31.525 0.482 -26.263 1.00 0.00 H new ATOM 0 HG22 THR A 65 32.225 -0.205 -24.778 1.00 0.00 H new ATOM 0 HG23 THR A 65 30.467 -0.267 -25.044 1.00 0.00 H new ATOM 1045 N ALA A 66 30.960 3.888 -22.379 1.00 0.00 N ATOM 1046 CA ALA A 66 31.453 5.103 -21.742 1.00 0.00 C ATOM 1047 C ALA A 66 31.311 5.023 -20.226 1.00 0.00 C ATOM 1048 O ALA A 66 30.571 4.138 -19.747 1.00 0.00 O ATOM 1049 CB ALA A 66 30.711 6.318 -22.280 1.00 0.00 C ATOM 1050 OXT ALA A 66 31.942 5.846 -19.529 1.00 0.00 O ATOM 0 H ALA A 66 30.086 4.004 -22.891 1.00 0.00 H new ATOM 0 HA ALA A 66 32.513 5.204 -21.977 1.00 0.00 H new ATOM 0 HB1 ALA A 66 31.089 7.219 -21.796 1.00 0.00 H new ATOM 0 HB2 ALA A 66 30.866 6.392 -23.356 1.00 0.00 H new ATOM 0 HB3 ALA A 66 29.646 6.215 -22.073 1.00 0.00 H new TER 1056 ALA A 66