USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot 180:sc= 0.0131 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.228 K(o=0.24,f=-0.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.23 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc=-0.00165 X(o=-0.0016,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0212 USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= 1.07 (180deg=0.73) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 2.24 (180deg=2.04) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.997 X(o=-1,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= 0.555 (180deg=0.408) USER MOD Single : A 40 GLN : amide:sc= 0.561 K(o=0.56,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.261 K(o=0.26,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00134) USER MOD Single : A 49 GLN : amide:sc= -0.431 K(o=-0.43,f=-1.4) USER MOD Single : A 55 THR OG1 : rot -58:sc= 1.06 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.495 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -130:sc= 0.18 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.808 -7.378 -5.006 1.00 9.67 N ATOM 2 CA MET A 1 11.590 -7.225 -3.578 1.00 10.38 C ATOM 3 C MET A 1 10.181 -7.655 -3.235 1.00 9.62 C ATOM 4 O MET A 1 9.284 -7.772 -4.120 1.00 9.62 O ATOM 5 CB MET A 1 11.885 -5.796 -3.195 1.00 13.77 C ATOM 6 CG MET A 1 11.731 -5.429 -1.684 1.00 16.29 C ATOM 7 SD MET A 1 12.697 -3.853 -1.538 1.00 17.17 S ATOM 8 CE MET A 1 11.247 -2.773 -1.342 1.00 16.11 C ATOM 0 H1 MET A 1 12.765 -7.051 -5.248 1.00 9.67 H new ATOM 0 H2 MET A 1 11.708 -8.380 -5.267 1.00 9.67 H new ATOM 0 H3 MET A 1 11.107 -6.813 -5.527 1.00 9.67 H new ATOM 0 HA MET A 1 12.261 -7.863 -3.003 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.906 -5.566 -3.499 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.227 -5.146 -3.772 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.686 -5.289 -1.407 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.131 -6.209 -1.036 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.575 -1.739 -1.232 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.608 -2.859 -2.220 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.688 -3.072 -0.455 1.00 16.11 H new ATOM 20 N GLN A 2 9.985 -8.132 -1.996 1.00 9.27 N ATOM 21 CA GLN A 2 8.676 -8.656 -1.596 1.00 9.07 C ATOM 22 C GLN A 2 8.216 -7.834 -0.364 1.00 8.72 C ATOM 23 O GLN A 2 8.987 -7.540 0.542 1.00 8.22 O ATOM 24 CB GLN A 2 8.789 -10.114 -1.061 1.00 14.46 C ATOM 25 CG GLN A 2 7.516 -10.604 -0.259 1.00 17.01 C ATOM 26 CD GLN A 2 7.660 -12.118 -0.039 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.385 -12.559 0.861 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.862 -12.837 -0.872 1.00 19.49 N ATOM 0 H GLN A 2 10.701 -8.165 -1.270 1.00 9.27 H new ATOM 0 HA GLN A 2 8.010 -8.607 -2.457 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.958 -10.787 -1.902 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.664 -10.186 -0.414 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.441 -10.084 0.696 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.605 -10.383 -0.815 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.305 -12.361 -1.581 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.820 -13.853 -0.788 1.00 19.49 H new ATOM 37 N ILE A 3 6.928 -7.433 -0.282 1.00 5.87 N ATOM 38 CA ILE A 3 6.280 -6.670 0.752 1.00 5.07 C ATOM 39 C ILE A 3 4.987 -7.350 1.178 1.00 4.01 C ATOM 40 O ILE A 3 4.512 -8.304 0.518 1.00 4.61 O ATOM 41 CB ILE A 3 6.171 -5.168 0.459 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.300 -4.977 -0.765 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.548 -4.397 0.431 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.671 -3.567 -0.944 1.00 10.83 C ATOM 0 H ILE A 3 6.270 -7.671 -1.024 1.00 5.87 H new ATOM 0 HA ILE A 3 6.933 -6.673 1.625 1.00 5.07 H new ATOM 0 HB ILE A 3 5.681 -4.683 1.304 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.897 -5.201 -1.649 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.494 -5.710 -0.730 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.371 -3.343 0.217 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.038 -4.493 1.400 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.187 -4.822 -0.343 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.069 -3.550 -1.853 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.039 -3.339 -0.086 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.463 -2.822 -1.019 1.00 10.83 H new ATOM 56 N PHE A 4 4.463 -6.951 2.328 1.00 4.55 N ATOM 57 CA PHE A 4 3.326 -7.619 2.986 1.00 4.68 C ATOM 58 C PHE A 4 2.264 -6.511 3.046 1.00 5.30 C ATOM 59 O PHE A 4 2.556 -5.380 3.377 1.00 5.58 O ATOM 60 CB PHE A 4 3.609 -8.250 4.334 1.00 4.83 C ATOM 61 CG PHE A 4 4.744 -9.264 4.301 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.774 -10.293 3.354 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.778 -9.153 5.234 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.836 -11.188 3.307 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.731 -10.156 5.267 1.00 10.61 C ATOM 66 CZ PHE A 4 6.822 -11.121 4.304 1.00 8.90 C ATOM 0 H PHE A 4 4.813 -6.145 2.845 1.00 4.55 H new ATOM 0 HA PHE A 4 3.016 -8.501 2.425 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.854 -7.465 5.050 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.705 -8.740 4.695 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.961 -10.393 2.650 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.832 -8.311 5.908 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.902 -11.922 2.518 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.432 -10.177 6.088 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.642 -11.823 4.310 1.00 8.90 H new ATOM 76 N VAL A 5 1.033 -6.861 2.767 1.00 4.44 N ATOM 77 CA VAL A 5 -0.082 -5.898 3.034 1.00 3.87 C ATOM 78 C VAL A 5 -1.149 -6.512 3.905 1.00 4.93 C ATOM 79 O VAL A 5 -1.647 -7.651 3.690 1.00 6.84 O ATOM 80 CB VAL A 5 -0.630 -5.337 1.706 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.817 -4.448 2.029 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.376 -4.458 0.976 1.00 9.13 C ATOM 0 H VAL A 5 0.753 -7.759 2.371 1.00 4.44 H new ATOM 0 HA VAL A 5 0.309 -5.054 3.602 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.879 -6.189 1.073 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.225 -4.037 1.106 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.584 -5.034 2.535 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.496 -3.633 2.678 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.066 -4.092 0.049 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.646 -3.612 1.608 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.269 -5.040 0.748 1.00 9.13 H new ATOM 92 N LYS A 6 -1.490 -5.819 4.995 1.00 6.04 N ATOM 93 CA LYS A 6 -2.275 -6.316 6.085 1.00 6.12 C ATOM 94 C LYS A 6 -3.468 -5.443 6.406 1.00 6.57 C ATOM 95 O LYS A 6 -3.356 -4.229 6.539 1.00 5.76 O ATOM 96 CB LYS A 6 -1.530 -6.643 7.378 1.00 7.45 C ATOM 97 CG LYS A 6 -2.206 -7.749 8.175 1.00 11.12 C ATOM 98 CD LYS A 6 -1.293 -8.073 9.361 1.00 14.54 C ATOM 99 CE LYS A 6 -1.634 -9.322 10.074 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.607 -9.656 11.031 1.00 20.55 N ATOM 0 H LYS A 6 -1.203 -4.850 5.130 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.608 -7.273 5.684 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.509 -6.943 7.140 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.463 -5.745 7.992 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.188 -7.428 8.522 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.359 -8.632 7.555 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.266 -8.142 9.004 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.329 -7.244 10.068 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.590 -9.207 10.584 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.750 -10.136 9.358 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.863 -10.536 11.522 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.299 -9.787 10.537 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.515 -8.886 11.725 1.00 20.55 H new ATOM 114 N THR A 7 -4.702 -6.015 6.406 1.00 7.41 N ATOM 115 CA THR A 7 -5.966 -5.337 6.705 1.00 7.48 C ATOM 116 C THR A 7 -6.400 -5.676 8.095 1.00 8.75 C ATOM 117 O THR A 7 -5.922 -6.644 8.702 1.00 8.58 O ATOM 118 CB THR A 7 -7.130 -5.769 5.735 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.235 -7.183 5.612 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.826 -5.167 4.321 1.00 9.17 C ATOM 0 H THR A 7 -4.835 -7.002 6.187 1.00 7.41 H new ATOM 0 HA THR A 7 -5.782 -4.270 6.583 1.00 7.48 H new ATOM 0 HB THR A 7 -8.071 -5.402 6.144 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.970 -7.405 5.003 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.617 -5.451 3.627 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.777 -4.080 4.391 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.872 -5.551 3.960 1.00 9.17 H new ATOM 128 N LEU A 8 -7.389 -4.909 8.617 1.00 9.84 N ATOM 129 CA LEU A 8 -7.959 -4.984 9.958 1.00 14.15 C ATOM 130 C LEU A 8 -8.219 -6.367 10.533 1.00 17.37 C ATOM 131 O LEU A 8 -7.770 -6.650 11.622 1.00 17.01 O ATOM 132 CB LEU A 8 -9.241 -4.072 9.987 1.00 16.63 C ATOM 133 CG LEU A 8 -9.667 -3.746 11.430 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.594 -2.941 12.171 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.986 -2.948 11.394 1.00 18.59 C ATOM 0 H LEU A 8 -7.830 -4.175 8.063 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.186 -4.622 10.636 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.043 -3.146 9.447 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.058 -4.574 9.470 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.804 -4.684 11.968 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.933 -2.731 13.186 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.669 -3.516 12.209 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.416 -2.002 11.646 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.296 -2.712 12.412 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.837 -2.023 10.837 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.759 -3.544 10.908 1.00 18.59 H new ATOM 147 N THR A 9 -8.788 -7.265 9.712 1.00 18.33 N ATOM 148 CA THR A 9 -9.211 -8.568 10.171 1.00 19.24 C ATOM 149 C THR A 9 -8.098 -9.606 10.157 1.00 19.48 C ATOM 150 O THR A 9 -8.281 -10.807 10.502 1.00 23.14 O ATOM 151 CB THR A 9 -10.228 -9.052 9.253 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.892 -9.038 7.905 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.575 -8.304 9.338 1.00 19.70 C ATOM 0 H THR A 9 -8.960 -7.096 8.721 1.00 18.33 H new ATOM 0 HA THR A 9 -9.558 -8.447 11.197 1.00 19.24 H new ATOM 0 HB THR A 9 -10.313 -10.080 9.605 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.642 -9.384 7.377 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.274 -8.731 8.619 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.983 -8.403 10.344 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.420 -7.249 9.112 1.00 19.70 H new ATOM 161 N GLY A 10 -6.872 -9.184 9.824 1.00 19.43 N ATOM 162 CA GLY A 10 -5.644 -9.964 9.893 1.00 18.74 C ATOM 163 C GLY A 10 -5.145 -10.671 8.655 1.00 17.62 C ATOM 164 O GLY A 10 -3.984 -11.147 8.667 1.00 19.74 O ATOM 0 H GLY A 10 -6.708 -8.237 9.482 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.851 -9.297 10.231 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.778 -10.718 10.669 1.00 18.74 H new ATOM 168 N LYS A 11 -5.963 -10.671 7.567 1.00 13.56 N ATOM 169 CA LYS A 11 -5.545 -11.151 6.306 1.00 11.91 C ATOM 170 C LYS A 11 -4.322 -10.403 5.739 1.00 10.18 C ATOM 171 O LYS A 11 -4.261 -9.180 5.689 1.00 9.10 O ATOM 172 CB LYS A 11 -6.698 -11.149 5.263 1.00 13.43 C ATOM 173 CG LYS A 11 -6.383 -11.830 3.867 1.00 16.69 C ATOM 174 CD LYS A 11 -7.544 -11.803 2.847 1.00 17.92 C ATOM 175 CE LYS A 11 -7.059 -12.229 1.448 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.153 -12.156 0.400 1.00 21.93 N ATOM 0 H LYS A 11 -6.924 -10.329 7.584 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.240 -12.182 6.488 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.558 -11.653 5.703 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.993 -10.116 5.081 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.520 -11.333 3.425 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.098 -12.867 4.042 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.340 -12.470 3.179 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.968 -10.800 2.799 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.229 -11.590 1.146 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.675 -13.248 1.496 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.851 -12.668 -0.453 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.022 -12.588 0.774 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.337 -11.161 0.159 1.00 21.93 H new ATOM 190 N THR A 12 -3.377 -11.196 5.203 1.00 9.63 N ATOM 191 CA THR A 12 -2.109 -10.721 4.636 1.00 9.85 C ATOM 192 C THR A 12 -1.934 -11.226 3.244 1.00 11.66 C ATOM 193 O THR A 12 -2.122 -12.383 3.010 1.00 12.33 O ATOM 194 CB THR A 12 -0.854 -11.153 5.380 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.873 -10.815 6.757 1.00 10.91 O ATOM 196 CG2 THR A 12 0.340 -10.430 4.786 1.00 9.63 C ATOM 0 H THR A 12 -3.480 -12.210 5.153 1.00 9.63 H new ATOM 0 HA THR A 12 -2.199 -9.637 4.703 1.00 9.85 H new ATOM 0 HB THR A 12 -0.799 -12.237 5.282 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.043 -11.119 7.180 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.246 -10.732 5.311 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.431 -10.684 3.730 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.202 -9.354 4.889 1.00 9.63 H new ATOM 204 N ILE A 13 -1.647 -10.316 2.329 1.00 10.42 N ATOM 205 CA ILE A 13 -1.324 -10.645 0.911 1.00 11.84 C ATOM 206 C ILE A 13 0.157 -10.404 0.679 1.00 10.55 C ATOM 207 O ILE A 13 0.751 -9.581 1.357 1.00 11.92 O ATOM 208 CB ILE A 13 -2.196 -9.780 -0.007 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.909 -8.267 -0.030 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.662 -10.197 0.304 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.811 -7.401 -0.870 1.00 16.46 C ATOM 0 H ILE A 13 -1.626 -9.316 2.529 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.535 -11.691 0.690 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.947 -9.980 -1.049 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -1.951 -7.901 0.996 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.886 -8.124 -0.378 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.345 -9.618 -0.318 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.791 -11.259 0.093 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.879 -10.007 1.355 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.493 -6.361 -0.792 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.756 -7.720 -1.911 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.838 -7.494 -0.516 1.00 16.46 H new ATOM 223 N THR A 14 0.712 -11.107 -0.276 1.00 9.39 N ATOM 224 CA THR A 14 2.114 -10.976 -0.746 1.00 9.63 C ATOM 225 C THR A 14 2.273 -10.321 -2.109 1.00 11.20 C ATOM 226 O THR A 14 1.435 -10.590 -3.046 1.00 11.63 O ATOM 227 CB THR A 14 2.870 -12.306 -0.735 1.00 10.38 C ATOM 228 OG1 THR A 14 2.288 -13.293 -1.580 1.00 16.30 O ATOM 229 CG2 THR A 14 2.859 -12.890 0.666 1.00 11.66 C ATOM 0 H THR A 14 0.196 -11.825 -0.785 1.00 9.39 H new ATOM 0 HA THR A 14 2.557 -10.302 -0.013 1.00 9.63 H new ATOM 0 HB THR A 14 3.874 -12.076 -1.091 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.816 -14.117 -1.532 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.398 -13.837 0.670 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.341 -12.195 1.354 1.00 11.66 H new ATOM 0 HG23 THR A 14 1.829 -13.058 0.982 1.00 11.66 H new ATOM 237 N LEU A 15 3.166 -9.325 -2.231 1.00 8.29 N ATOM 238 CA LEU A 15 3.218 -8.429 -3.360 1.00 9.03 C ATOM 239 C LEU A 15 4.630 -8.324 -3.785 1.00 8.59 C ATOM 240 O LEU A 15 5.587 -8.309 -2.963 1.00 7.79 O ATOM 241 CB LEU A 15 2.694 -7.031 -3.075 1.00 11.08 C ATOM 242 CG LEU A 15 1.223 -6.996 -2.674 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.884 -5.520 -2.368 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.278 -7.640 -3.699 1.00 15.27 C ATOM 0 H LEU A 15 3.877 -9.130 -1.526 1.00 8.29 H new ATOM 0 HA LEU A 15 2.570 -8.846 -4.131 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.289 -6.585 -2.278 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.834 -6.413 -3.962 1.00 11.08 H new ATOM 0 HG LEU A 15 1.066 -7.615 -1.791 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.163 -5.440 -2.075 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.517 -5.162 -1.556 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.059 -4.915 -3.257 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.749 -7.574 -3.339 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.363 -7.117 -4.651 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.548 -8.687 -3.835 1.00 15.27 H new ATOM 256 N GLU A 16 4.913 -8.310 -5.043 1.00 11.04 N ATOM 257 CA GLU A 16 6.109 -8.137 -5.766 1.00 11.50 C ATOM 258 C GLU A 16 6.308 -6.765 -6.182 1.00 10.13 C ATOM 259 O GLU A 16 5.493 -6.158 -6.884 1.00 9.83 O ATOM 260 CB GLU A 16 6.286 -9.082 -6.992 1.00 17.22 C ATOM 261 CG GLU A 16 6.284 -10.596 -6.706 1.00 23.33 C ATOM 262 CD GLU A 16 4.842 -11.071 -6.620 1.00 26.99 C ATOM 263 OE1 GLU A 16 4.104 -11.060 -7.634 1.00 28.86 O ATOM 264 OE2 GLU A 16 4.477 -11.461 -5.510 1.00 28.90 O ATOM 0 H GLU A 16 4.148 -8.448 -5.704 1.00 11.04 H new ATOM 0 HA GLU A 16 6.877 -8.418 -5.046 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.488 -8.869 -7.703 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.226 -8.830 -7.483 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.812 -11.131 -7.495 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.808 -10.806 -5.773 1.00 23.33 H new ATOM 271 N VAL A 17 7.475 -6.242 -5.780 1.00 8.99 N ATOM 272 CA VAL A 17 7.825 -4.853 -5.937 1.00 8.85 C ATOM 273 C VAL A 17 9.305 -4.636 -6.129 1.00 8.04 C ATOM 274 O VAL A 17 10.083 -5.497 -5.757 1.00 8.99 O ATOM 275 CB VAL A 17 7.449 -3.930 -4.799 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.915 -3.644 -4.874 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.892 -4.644 -3.467 1.00 10.54 C ATOM 0 H VAL A 17 8.204 -6.796 -5.330 1.00 8.99 H new ATOM 0 HA VAL A 17 7.236 -4.601 -6.819 1.00 8.85 H new ATOM 0 HB VAL A 17 7.946 -2.961 -4.849 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.629 -2.979 -4.059 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.679 -3.172 -5.828 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.365 -4.581 -4.788 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.640 -4.013 -2.615 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.375 -5.599 -3.377 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.968 -4.815 -3.486 1.00 10.54 H new ATOM 287 N GLU A 18 9.706 -3.551 -6.839 1.00 7.29 N ATOM 288 CA GLU A 18 11.078 -2.934 -6.909 1.00 7.08 C ATOM 289 C GLU A 18 10.930 -1.677 -6.048 1.00 6.45 C ATOM 290 O GLU A 18 9.824 -1.135 -5.984 1.00 5.28 O ATOM 291 CB GLU A 18 11.523 -2.567 -8.340 1.00 10.28 C ATOM 292 CG GLU A 18 11.731 -3.859 -9.286 1.00 12.65 C ATOM 293 CD GLU A 18 12.722 -4.842 -8.665 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.900 -4.598 -8.494 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.210 -5.970 -8.486 1.00 18.17 O ATOM 0 H GLU A 18 9.042 -3.041 -7.422 1.00 7.29 H new ATOM 0 HA GLU A 18 11.847 -3.628 -6.569 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.778 -1.911 -8.789 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.456 -2.005 -8.292 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.773 -4.355 -9.445 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.093 -3.543 -10.264 1.00 12.65 H new ATOM 302 N PRO A 19 11.873 -1.204 -5.305 1.00 7.24 N ATOM 303 CA PRO A 19 11.701 -0.064 -4.278 1.00 7.07 C ATOM 304 C PRO A 19 11.398 1.305 -4.933 1.00 6.65 C ATOM 305 O PRO A 19 10.942 2.195 -4.237 1.00 6.37 O ATOM 306 CB PRO A 19 13.112 0.040 -3.634 1.00 7.61 C ATOM 307 CG PRO A 19 14.018 -0.645 -4.704 1.00 8.16 C ATOM 308 CD PRO A 19 13.210 -1.810 -5.143 1.00 7.49 C ATOM 0 HA PRO A 19 10.874 -0.278 -3.601 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.403 1.076 -3.458 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.159 -0.472 -2.673 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.238 0.027 -5.534 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.974 -0.955 -4.282 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.581 -2.238 -6.074 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.210 -2.610 -4.403 1.00 7.49 H new ATOM 316 N SER A 20 11.547 1.434 -6.239 1.00 6.80 N ATOM 317 CA SER A 20 11.256 2.566 -7.083 1.00 6.28 C ATOM 318 C SER A 20 9.790 2.593 -7.591 1.00 8.45 C ATOM 319 O SER A 20 9.390 3.614 -8.136 1.00 7.26 O ATOM 320 CB SER A 20 12.174 2.556 -8.305 1.00 8.57 C ATOM 321 OG SER A 20 12.184 1.286 -8.976 1.00 11.13 O ATOM 0 H SER A 20 11.916 0.658 -6.789 1.00 6.80 H new ATOM 0 HA SER A 20 11.418 3.449 -6.465 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.853 3.329 -9.003 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.188 2.807 -7.995 1.00 8.57 H new ATOM 0 HG SER A 20 12.783 1.330 -9.750 1.00 11.13 H new ATOM 327 N ASP A 21 8.997 1.486 -7.279 1.00 7.50 N ATOM 328 CA ASP A 21 7.549 1.463 -7.393 1.00 7.70 C ATOM 329 C ASP A 21 6.981 2.440 -6.401 1.00 7.08 C ATOM 330 O ASP A 21 7.462 2.552 -5.244 1.00 8.11 O ATOM 331 CB ASP A 21 7.006 0.067 -7.213 1.00 11.00 C ATOM 332 CG ASP A 21 7.078 -0.718 -8.498 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.123 -0.530 -9.313 1.00 14.36 O ATOM 334 OD2 ASP A 21 8.039 -1.469 -8.747 1.00 18.03 O ATOM 0 H ASP A 21 9.388 0.605 -6.945 1.00 7.50 H new ATOM 0 HA ASP A 21 7.246 1.767 -8.395 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.572 -0.449 -6.437 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.972 0.118 -6.873 1.00 11.00 H new ATOM 339 N THR A 22 5.924 3.161 -6.866 1.00 5.37 N ATOM 340 CA THR A 22 5.322 4.247 -6.115 1.00 6.01 C ATOM 341 C THR A 22 4.139 3.752 -5.324 1.00 8.01 C ATOM 342 O THR A 22 3.649 2.636 -5.490 1.00 8.11 O ATOM 343 CB THR A 22 4.760 5.388 -7.133 1.00 8.92 C ATOM 344 OG1 THR A 22 4.025 4.768 -8.162 1.00 10.22 O ATOM 345 CG2 THR A 22 5.868 6.185 -7.736 1.00 9.65 C ATOM 0 H THR A 22 5.483 2.990 -7.770 1.00 5.37 H new ATOM 0 HA THR A 22 6.089 4.650 -5.453 1.00 6.01 H new ATOM 0 HB THR A 22 4.127 6.067 -6.562 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.683 5.450 -8.777 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.452 6.935 -8.409 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.433 6.679 -6.945 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.530 5.523 -8.295 1.00 9.65 H new ATOM 353 N ILE A 23 3.559 4.514 -4.374 1.00 8.32 N ATOM 354 CA ILE A 23 2.522 3.940 -3.555 1.00 9.92 C ATOM 355 C ILE A 23 1.258 3.591 -4.399 1.00 10.01 C ATOM 356 O ILE A 23 0.564 2.567 -4.172 1.00 8.71 O ATOM 357 CB ILE A 23 2.231 4.729 -2.378 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.521 4.999 -1.581 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.144 4.154 -1.482 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.191 3.791 -0.937 1.00 12.30 C ATOM 0 H ILE A 23 3.792 5.487 -4.175 1.00 8.32 H new ATOM 0 HA ILE A 23 2.905 2.996 -3.167 1.00 9.92 H new ATOM 0 HB ILE A 23 1.823 5.670 -2.746 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.241 5.472 -2.249 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.292 5.720 -0.796 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.993 4.811 -0.625 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.214 4.072 -2.045 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.445 3.166 -1.133 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.087 4.112 -0.406 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.501 3.324 -0.235 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.465 3.072 -1.709 1.00 12.30 H new ATOM 372 N GLU A 24 1.040 4.346 -5.424 1.00 9.54 N ATOM 373 CA GLU A 24 0.018 4.277 -6.503 1.00 11.81 C ATOM 374 C GLU A 24 0.114 2.902 -7.293 1.00 11.14 C ATOM 375 O GLU A 24 -0.926 2.332 -7.570 1.00 10.62 O ATOM 376 CB GLU A 24 0.302 5.444 -7.470 1.00 19.24 C ATOM 377 CG GLU A 24 -0.745 5.651 -8.539 1.00 27.76 C ATOM 378 CD GLU A 24 -0.329 6.628 -9.600 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.470 6.210 -10.535 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.741 7.829 -9.544 1.00 36.51 O ATOM 0 H GLU A 24 1.645 5.153 -5.576 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.982 4.344 -6.075 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.396 6.363 -6.891 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.264 5.272 -7.952 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.971 4.693 -9.007 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.665 6.003 -8.073 1.00 27.76 H new ATOM 387 N ASN A 25 1.362 2.420 -7.552 1.00 9.43 N ATOM 388 CA ASN A 25 1.680 1.106 -8.127 1.00 10.96 C ATOM 389 C ASN A 25 1.425 -0.077 -7.203 1.00 9.68 C ATOM 390 O ASN A 25 0.829 -1.075 -7.524 1.00 9.33 O ATOM 391 CB ASN A 25 3.195 1.015 -8.554 1.00 16.78 C ATOM 392 CG ASN A 25 3.542 1.997 -9.723 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.645 2.705 -10.244 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.828 2.093 -10.034 1.00 24.70 N ATOM 0 H ASN A 25 2.199 2.968 -7.353 1.00 9.43 H new ATOM 0 HA ASN A 25 1.004 1.036 -8.979 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.827 1.239 -7.694 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.423 -0.006 -8.860 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.135 2.771 -10.732 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.510 1.489 -9.575 1.00 24.70 H new ATOM 401 N VAL A 26 1.805 0.079 -5.886 1.00 6.52 N ATOM 402 CA VAL A 26 1.310 -0.875 -4.884 1.00 5.53 C ATOM 403 C VAL A 26 -0.190 -0.880 -4.806 1.00 4.42 C ATOM 404 O VAL A 26 -0.737 -1.918 -4.806 1.00 3.40 O ATOM 405 CB VAL A 26 1.996 -0.615 -3.501 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.499 -1.610 -2.369 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.556 -0.822 -3.756 1.00 8.12 C ATOM 0 H VAL A 26 2.415 0.816 -5.531 1.00 6.52 H new ATOM 0 HA VAL A 26 1.587 -1.881 -5.198 1.00 5.53 H new ATOM 0 HB VAL A 26 1.750 0.385 -3.143 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.010 -1.381 -1.434 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.423 -1.498 -2.232 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.722 -2.636 -2.663 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.102 -0.655 -2.827 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.736 -1.839 -4.105 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.899 -0.114 -4.510 1.00 8.12 H new ATOM 417 N LYS A 27 -0.922 0.227 -4.876 1.00 2.64 N ATOM 418 CA LYS A 27 -2.423 0.213 -4.934 1.00 4.14 C ATOM 419 C LYS A 27 -3.064 -0.363 -6.148 1.00 5.58 C ATOM 420 O LYS A 27 -4.167 -0.955 -6.026 1.00 4.11 O ATOM 421 CB LYS A 27 -3.106 1.575 -4.711 1.00 3.97 C ATOM 422 CG LYS A 27 -2.762 2.338 -3.424 1.00 7.45 C ATOM 423 CD LYS A 27 -3.492 3.644 -3.173 1.00 9.02 C ATOM 424 CE LYS A 27 -2.648 4.448 -2.116 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.462 5.587 -1.686 1.00 15.47 N ATOM 0 H LYS A 27 -0.519 1.164 -4.895 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.589 -0.461 -4.094 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.862 2.216 -5.558 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.184 1.418 -4.731 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.953 1.677 -2.579 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.692 2.546 -3.431 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.594 4.212 -4.097 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.499 3.457 -2.801 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.393 3.815 -1.266 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.709 4.789 -2.553 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.030 6.025 -0.847 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.514 6.286 -2.454 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.421 5.259 -1.451 1.00 15.47 H new ATOM 439 N ALA A 28 -2.450 -0.247 -7.339 1.00 6.61 N ATOM 440 CA ALA A 28 -2.798 -1.035 -8.486 1.00 7.74 C ATOM 441 C ALA A 28 -2.560 -2.525 -8.354 1.00 9.17 C ATOM 442 O ALA A 28 -3.429 -3.287 -8.658 1.00 11.45 O ATOM 443 CB ALA A 28 -1.946 -0.470 -9.627 1.00 7.68 C ATOM 0 H ALA A 28 -1.691 0.412 -7.512 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.874 -0.961 -8.646 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.154 -1.021 -10.544 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.187 0.583 -9.774 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.890 -0.569 -9.376 1.00 7.68 H new ATOM 449 N LYS A 29 -1.404 -3.024 -7.805 1.00 8.96 N ATOM 450 CA LYS A 29 -1.169 -4.399 -7.452 1.00 7.90 C ATOM 451 C LYS A 29 -2.152 -4.961 -6.466 1.00 6.92 C ATOM 452 O LYS A 29 -2.760 -6.018 -6.678 1.00 6.87 O ATOM 453 CB LYS A 29 0.230 -4.646 -6.886 1.00 10.28 C ATOM 454 CG LYS A 29 1.316 -4.246 -7.896 1.00 14.94 C ATOM 455 CD LYS A 29 2.793 -4.191 -7.211 1.00 19.69 C ATOM 456 CE LYS A 29 3.798 -3.472 -8.101 1.00 22.63 C ATOM 457 NZ LYS A 29 4.138 -4.178 -9.347 1.00 24.98 N ATOM 0 H LYS A 29 -0.602 -2.427 -7.603 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.287 -4.912 -8.407 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.358 -4.077 -5.965 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.340 -5.699 -6.628 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.325 -4.959 -8.721 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.076 -3.271 -8.320 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.730 -3.683 -6.249 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.141 -5.205 -7.014 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.400 -2.490 -8.354 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.713 -3.308 -7.532 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.826 -3.616 -9.888 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.550 -5.105 -9.119 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.278 -4.312 -9.916 1.00 24.98 H new ATOM 471 N ILE A 30 -2.468 -4.239 -5.404 1.00 4.57 N ATOM 472 CA ILE A 30 -3.526 -4.583 -4.445 1.00 5.58 C ATOM 473 C ILE A 30 -4.922 -4.726 -5.080 1.00 7.26 C ATOM 474 O ILE A 30 -5.547 -5.705 -4.761 1.00 9.46 O ATOM 475 CB ILE A 30 -3.704 -3.624 -3.220 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.414 -3.569 -2.408 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.801 -3.988 -2.220 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.192 -2.214 -1.802 1.00 2.00 C ATOM 0 H ILE A 30 -1.987 -3.371 -5.171 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.146 -5.539 -4.086 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.984 -2.680 -3.688 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.450 -4.319 -1.618 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.570 -3.823 -3.049 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.824 -3.248 -1.420 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.766 -4.003 -2.727 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.597 -4.972 -1.799 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.263 -2.218 -1.232 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.129 -1.467 -2.594 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.023 -1.971 -1.139 1.00 2.00 H new ATOM 490 N GLN A 31 -5.367 -3.886 -6.024 1.00 7.06 N ATOM 491 CA GLN A 31 -6.609 -4.070 -6.776 1.00 8.67 C ATOM 492 C GLN A 31 -6.550 -5.322 -7.577 1.00 10.90 C ATOM 493 O GLN A 31 -7.517 -6.044 -7.561 1.00 9.63 O ATOM 494 CB GLN A 31 -6.724 -2.897 -7.778 1.00 9.12 C ATOM 495 CG GLN A 31 -8.154 -2.890 -8.339 1.00 10.76 C ATOM 496 CD GLN A 31 -8.430 -1.651 -9.186 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.539 -0.911 -9.672 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.751 -1.314 -9.298 1.00 14.76 N ATOM 0 H GLN A 31 -4.860 -3.042 -6.290 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.449 -4.114 -6.082 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.504 -1.951 -7.284 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.999 -3.012 -8.584 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.311 -3.784 -8.943 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.867 -2.932 -7.515 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.468 -1.921 -8.900 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.019 -0.456 -9.779 1.00 14.76 H new ATOM 507 N ASP A 32 -5.422 -5.574 -8.242 1.00 10.93 N ATOM 508 CA ASP A 32 -5.241 -6.775 -9.011 1.00 14.01 C ATOM 509 C ASP A 32 -5.388 -8.120 -8.245 1.00 14.04 C ATOM 510 O ASP A 32 -6.006 -9.073 -8.708 1.00 13.39 O ATOM 511 CB ASP A 32 -3.895 -6.662 -9.699 1.00 18.01 C ATOM 512 CG ASP A 32 -3.814 -7.562 -10.881 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.422 -7.159 -11.924 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.211 -8.668 -10.758 1.00 25.17 O ATOM 0 H ASP A 32 -4.619 -4.945 -8.254 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.067 -6.831 -9.721 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.730 -5.631 -10.012 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.102 -6.912 -8.994 1.00 18.01 H new ATOM 519 N LYS A 33 -4.808 -8.254 -7.056 1.00 14.22 N ATOM 520 CA LYS A 33 -4.943 -9.327 -6.130 1.00 14.00 C ATOM 521 C LYS A 33 -6.339 -9.399 -5.476 1.00 12.37 C ATOM 522 O LYS A 33 -7.036 -10.419 -5.560 1.00 12.17 O ATOM 523 CB LYS A 33 -3.903 -9.180 -5.014 1.00 18.62 C ATOM 524 CG LYS A 33 -3.679 -10.328 -4.024 1.00 24.00 C ATOM 525 CD LYS A 33 -2.712 -11.447 -4.576 1.00 27.61 C ATOM 526 CE LYS A 33 -1.209 -11.084 -4.289 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.195 -11.929 -4.934 1.00 30.06 N ATOM 0 H LYS A 33 -4.176 -7.536 -6.702 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.793 -10.243 -6.702 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.945 -8.969 -5.489 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.172 -8.298 -4.433 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.267 -9.926 -3.098 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.640 -10.778 -3.776 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.954 -12.403 -4.112 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.863 -11.566 -5.649 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.042 -10.053 -4.600 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.049 -11.122 -3.211 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.735 -11.742 -4.507 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.442 -12.930 -4.801 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.159 -11.713 -5.951 1.00 30.06 H new ATOM 541 N GLU A 34 -6.792 -8.237 -4.985 1.00 10.11 N ATOM 542 CA GLU A 34 -7.912 -8.227 -4.037 1.00 10.07 C ATOM 543 C GLU A 34 -9.211 -7.533 -4.439 1.00 9.32 C ATOM 544 O GLU A 34 -10.247 -7.610 -3.740 1.00 11.61 O ATOM 545 CB GLU A 34 -7.450 -7.455 -2.780 1.00 14.77 C ATOM 546 CG GLU A 34 -6.533 -8.381 -1.931 1.00 18.75 C ATOM 547 CD GLU A 34 -7.214 -9.618 -1.434 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.160 -9.543 -0.631 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.956 -10.717 -2.006 1.00 21.95 O ATOM 0 H GLU A 34 -6.414 -7.319 -5.220 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.148 -9.286 -3.929 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.911 -6.552 -3.068 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.312 -7.138 -2.194 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.669 -8.669 -2.530 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.155 -7.818 -1.077 1.00 18.75 H new ATOM 556 N GLY A 35 -9.224 -6.923 -5.551 1.00 7.22 N ATOM 557 CA GLY A 35 -10.302 -6.141 -6.127 1.00 6.29 C ATOM 558 C GLY A 35 -10.718 -4.902 -5.351 1.00 6.93 C ATOM 559 O GLY A 35 -11.833 -4.490 -5.396 1.00 7.41 O ATOM 0 H GLY A 35 -8.410 -6.943 -6.165 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.005 -5.834 -7.130 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.174 -6.786 -6.236 1.00 6.29 H new ATOM 563 N ILE A 36 -9.805 -4.200 -4.643 1.00 5.86 N ATOM 564 CA ILE A 36 -10.241 -2.961 -3.946 1.00 6.07 C ATOM 565 C ILE A 36 -9.924 -1.763 -4.832 1.00 6.36 C ATOM 566 O ILE A 36 -8.835 -1.572 -5.321 1.00 6.18 O ATOM 567 CB ILE A 36 -9.493 -2.833 -2.600 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.485 -4.103 -1.795 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.179 -1.646 -1.834 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.505 -4.067 -0.530 1.00 9.49 C ATOM 0 H ILE A 36 -8.820 -4.445 -4.539 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.313 -3.000 -3.751 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.436 -2.635 -2.776 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.498 -4.309 -1.451 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.194 -4.930 -2.443 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.692 -1.505 -0.869 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.089 -0.733 -2.422 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.233 -1.875 -1.678 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.557 -5.019 -0.002 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.483 -3.894 -0.866 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.807 -3.263 0.141 1.00 9.49 H new ATOM 582 N PRO A 37 -10.900 -0.896 -5.177 1.00 8.65 N ATOM 583 CA PRO A 37 -10.582 0.271 -5.930 1.00 9.18 C ATOM 584 C PRO A 37 -9.484 1.184 -5.312 1.00 9.85 C ATOM 585 O PRO A 37 -9.579 1.306 -4.114 1.00 8.51 O ATOM 586 CB PRO A 37 -11.931 0.999 -6.149 1.00 11.42 C ATOM 587 CG PRO A 37 -12.919 -0.161 -6.176 1.00 9.27 C ATOM 588 CD PRO A 37 -12.373 -1.078 -5.142 1.00 8.33 C ATOM 0 HA PRO A 37 -10.115 -0.015 -6.872 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.150 1.702 -5.345 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.942 1.566 -7.080 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.931 0.164 -5.936 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.961 -0.635 -7.157 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.773 -0.839 -4.157 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.644 -2.112 -5.354 1.00 8.33 H new ATOM 596 N PRO A 38 -8.421 1.663 -5.991 1.00 8.71 N ATOM 597 CA PRO A 38 -7.263 2.424 -5.432 1.00 9.08 C ATOM 598 C PRO A 38 -7.685 3.798 -4.751 1.00 9.28 C ATOM 599 O PRO A 38 -6.883 4.280 -3.975 1.00 6.50 O ATOM 600 CB PRO A 38 -6.395 2.724 -6.663 1.00 10.31 C ATOM 601 CG PRO A 38 -6.527 1.487 -7.539 1.00 10.81 C ATOM 602 CD PRO A 38 -8.026 1.083 -7.285 1.00 12.00 C ATOM 0 HA PRO A 38 -6.766 1.849 -4.650 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.741 3.617 -7.184 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.357 2.901 -6.382 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.333 1.705 -8.589 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.834 0.699 -7.244 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.666 1.456 -8.085 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.135 -0.001 -7.270 1.00 12.00 H new ATOM 610 N ASP A 39 -8.810 4.476 -5.100 1.00 11.20 N ATOM 611 CA ASP A 39 -9.229 5.731 -4.518 1.00 14.96 C ATOM 612 C ASP A 39 -9.822 5.520 -3.148 1.00 13.99 C ATOM 613 O ASP A 39 -9.986 6.380 -2.273 1.00 13.75 O ATOM 614 CB ASP A 39 -10.210 6.470 -5.354 1.00 24.16 C ATOM 615 CG ASP A 39 -9.551 6.782 -6.728 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.563 7.530 -6.848 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.013 6.172 -7.717 1.00 34.22 O ATOM 0 H ASP A 39 -9.452 4.136 -5.816 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.325 6.336 -4.451 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.113 5.876 -5.493 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.510 7.394 -4.859 1.00 24.16 H new ATOM 622 N GLN A 40 -10.214 4.287 -2.924 1.00 11.60 N ATOM 623 CA GLN A 40 -10.828 3.826 -1.652 1.00 10.76 C ATOM 624 C GLN A 40 -9.715 3.224 -0.755 1.00 8.01 C ATOM 625 O GLN A 40 -9.958 2.637 0.330 1.00 8.96 O ATOM 626 CB GLN A 40 -11.765 2.681 -1.978 1.00 11.14 C ATOM 627 CG GLN A 40 -13.137 3.131 -2.572 1.00 14.85 C ATOM 628 CD GLN A 40 -14.161 2.047 -2.767 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.681 1.719 -3.836 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.430 1.369 -1.605 1.00 18.16 N ATOM 0 H GLN A 40 -10.123 3.546 -3.619 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.338 4.655 -1.162 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.275 2.015 -2.688 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.945 2.104 -1.071 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.562 3.891 -1.916 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.954 3.608 -3.535 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.988 1.658 -0.732 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.072 0.576 -1.614 1.00 18.16 H new ATOM 639 N GLN A 41 -8.416 3.324 -1.155 1.00 6.52 N ATOM 640 CA GLN A 41 -7.286 2.741 -0.480 1.00 3.87 C ATOM 641 C GLN A 41 -6.372 3.711 0.143 1.00 4.79 C ATOM 642 O GLN A 41 -5.854 4.587 -0.540 1.00 6.34 O ATOM 643 CB GLN A 41 -6.432 1.863 -1.465 1.00 4.20 C ATOM 644 CG GLN A 41 -7.072 0.519 -1.902 1.00 3.20 C ATOM 645 CD GLN A 41 -6.024 -0.319 -2.640 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.925 -0.647 -2.235 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.381 -0.739 -3.887 1.00 7.13 N ATOM 0 H GLN A 41 -8.148 3.840 -1.993 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.734 2.144 0.314 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.224 2.452 -2.358 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.473 1.650 -0.993 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.441 -0.023 -1.031 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.929 0.704 -2.549 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.293 -0.488 -4.268 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.736 -1.304 -4.439 1.00 7.13 H new ATOM 656 N ARG A 42 -6.050 3.586 1.420 1.00 5.73 N ATOM 657 CA ARG A 42 -4.961 4.327 2.060 1.00 6.97 C ATOM 658 C ARG A 42 -3.995 3.304 2.656 1.00 7.15 C ATOM 659 O ARG A 42 -4.379 2.327 3.288 1.00 7.33 O ATOM 660 CB ARG A 42 -5.484 5.399 3.033 1.00 13.23 C ATOM 661 CG ARG A 42 -6.262 6.407 2.222 1.00 21.27 C ATOM 662 CD ARG A 42 -6.865 7.441 3.199 1.00 26.14 C ATOM 663 NE ARG A 42 -7.924 8.186 2.450 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.362 9.320 2.882 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.873 9.893 4.017 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.279 10.011 2.233 1.00 36.39 N ATOM 0 H ARG A 42 -6.542 2.959 2.056 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.402 4.920 1.336 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.119 4.948 3.795 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.656 5.882 3.553 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.611 6.899 1.500 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.051 5.913 1.655 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.288 6.945 4.073 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.096 8.124 3.561 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.304 7.793 1.589 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.141 9.424 4.550 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.239 10.791 4.334 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.665 9.652 1.360 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.602 10.904 2.604 1.00 36.39 H new ATOM 680 N LEU A 43 -2.681 3.565 2.387 1.00 4.65 N ATOM 681 CA LEU A 43 -1.666 2.671 2.922 1.00 3.51 C ATOM 682 C LEU A 43 -0.877 3.474 4.065 1.00 5.56 C ATOM 683 O LEU A 43 -0.544 4.644 3.989 1.00 4.19 O ATOM 684 CB LEU A 43 -0.742 2.162 1.806 1.00 3.74 C ATOM 685 CG LEU A 43 -1.337 1.184 0.759 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.538 1.277 -0.514 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.422 -0.269 1.232 1.00 6.41 C ATOM 0 H LEU A 43 -2.335 4.348 1.832 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.116 1.779 3.357 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.355 3.029 1.271 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.110 1.671 2.276 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.369 1.493 0.592 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.951 0.592 -1.254 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.583 2.296 -0.898 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.500 1.011 -0.313 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.849 -0.885 0.440 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.423 -0.631 1.475 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.055 -0.327 2.118 1.00 6.41 H new ATOM 699 N ILE A 44 -0.724 2.790 5.163 1.00 4.58 N ATOM 700 CA ILE A 44 -0.109 3.262 6.361 1.00 5.55 C ATOM 701 C ILE A 44 1.143 2.424 6.751 1.00 5.46 C ATOM 702 O ILE A 44 1.153 1.176 6.690 1.00 6.04 O ATOM 703 CB ILE A 44 -1.092 3.264 7.564 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.001 4.526 7.571 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.335 3.261 8.929 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.968 4.679 6.433 1.00 13.90 C ATOM 0 H ILE A 44 -1.048 1.826 5.246 1.00 4.58 H new ATOM 0 HA ILE A 44 0.197 4.285 6.142 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.689 2.359 7.447 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.570 4.528 8.501 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.358 5.406 7.589 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.057 3.263 9.746 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.288 2.369 8.997 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.293 4.149 8.999 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.538 5.599 6.561 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.419 4.720 5.492 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.650 3.829 6.418 1.00 13.90 H new ATOM 718 N PHE A 45 2.225 3.061 7.150 1.00 6.75 N ATOM 719 CA PHE A 45 3.424 2.344 7.599 1.00 4.70 C ATOM 720 C PHE A 45 4.111 3.393 8.496 1.00 6.34 C ATOM 721 O PHE A 45 3.957 4.585 8.329 1.00 5.45 O ATOM 722 CB PHE A 45 4.206 1.834 6.388 1.00 5.51 C ATOM 723 CG PHE A 45 5.603 1.344 6.768 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.707 0.122 7.401 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.780 2.133 6.582 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.927 -0.333 7.920 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.987 1.633 7.041 1.00 6.64 C ATOM 728 CZ PHE A 45 8.051 0.425 7.722 1.00 6.84 C ATOM 0 H PHE A 45 2.309 4.077 7.176 1.00 6.75 H new ATOM 0 HA PHE A 45 3.270 1.426 8.166 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.653 1.021 5.917 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.291 2.632 5.650 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.828 -0.498 7.499 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.729 3.096 6.095 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.980 -1.264 8.466 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.894 2.192 6.866 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.001 0.078 8.101 1.00 6.84 H new ATOM 738 N ALA A 46 4.855 2.934 9.514 1.00 6.53 N ATOM 739 CA ALA A 46 5.414 3.787 10.567 1.00 7.15 C ATOM 740 C ALA A 46 4.438 4.711 11.286 1.00 9.00 C ATOM 741 O ALA A 46 4.762 5.746 11.878 1.00 11.15 O ATOM 742 CB ALA A 46 6.743 4.380 10.050 1.00 8.99 C ATOM 0 H ALA A 46 5.087 1.947 9.628 1.00 6.53 H new ATOM 0 HA ALA A 46 5.655 3.176 11.437 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.179 5.020 10.817 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.435 3.571 9.815 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.554 4.968 9.152 1.00 8.99 H new ATOM 748 N GLY A 47 3.142 4.297 11.386 1.00 9.35 N ATOM 749 CA GLY A 47 2.140 5.044 12.104 1.00 11.68 C ATOM 750 C GLY A 47 1.510 6.099 11.201 1.00 11.14 C ATOM 751 O GLY A 47 0.666 6.900 11.656 1.00 13.93 O ATOM 0 H GLY A 47 2.793 3.437 10.963 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.370 4.367 12.475 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.589 5.523 12.974 1.00 11.68 H new ATOM 755 N LYS A 48 1.870 6.155 9.948 1.00 10.47 N ATOM 756 CA LYS A 48 1.549 7.305 9.116 1.00 8.82 C ATOM 757 C LYS A 48 1.261 6.959 7.724 1.00 7.68 C ATOM 758 O LYS A 48 1.663 5.920 7.197 1.00 6.47 O ATOM 759 CB LYS A 48 2.650 8.403 9.196 1.00 9.74 C ATOM 760 CG LYS A 48 3.956 8.103 8.460 1.00 14.14 C ATOM 761 CD LYS A 48 4.808 9.331 8.443 1.00 16.32 C ATOM 762 CE LYS A 48 6.101 9.238 7.555 1.00 20.04 C ATOM 763 NZ LYS A 48 6.935 8.100 7.885 1.00 23.92 N ATOM 0 H LYS A 48 2.389 5.419 9.470 1.00 10.47 H new ATOM 0 HA LYS A 48 0.626 7.711 9.531 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.238 9.331 8.799 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.881 8.581 10.246 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.485 7.287 8.952 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.746 7.778 7.441 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.204 10.167 8.091 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.105 9.561 9.466 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.811 9.177 6.506 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.682 10.153 7.672 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.780 8.101 7.279 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.224 8.159 8.882 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.400 7.221 7.731 1.00 23.92 H new ATOM 777 N GLN A 49 0.453 7.822 7.027 1.00 8.89 N ATOM 778 CA GLN A 49 0.030 7.617 5.650 1.00 7.18 C ATOM 779 C GLN A 49 1.101 7.815 4.614 1.00 8.23 C ATOM 780 O GLN A 49 1.668 8.885 4.511 1.00 9.70 O ATOM 781 CB GLN A 49 -1.269 8.429 5.362 1.00 11.67 C ATOM 782 CG GLN A 49 -2.087 7.878 4.165 1.00 15.82 C ATOM 783 CD GLN A 49 -3.323 8.741 3.968 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.239 8.886 4.787 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.469 9.269 2.727 1.00 20.67 N ATOM 0 H GLN A 49 0.087 8.682 7.435 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.197 6.555 5.553 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.896 8.425 6.254 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.003 9.467 5.164 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.478 7.881 3.261 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.376 6.844 4.351 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.726 9.161 2.036 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.322 9.774 2.485 1.00 20.67 H new ATOM 794 N LEU A 50 1.229 6.729 3.807 1.00 6.51 N ATOM 795 CA LEU A 50 2.070 6.729 2.645 1.00 7.41 C ATOM 796 C LEU A 50 1.437 7.356 1.426 1.00 8.27 C ATOM 797 O LEU A 50 0.345 6.985 0.948 1.00 8.34 O ATOM 798 CB LEU A 50 2.482 5.220 2.286 1.00 7.13 C ATOM 799 CG LEU A 50 3.015 4.407 3.464 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.807 3.251 2.791 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.833 5.185 4.458 1.00 9.11 C ATOM 0 H LEU A 50 0.742 5.847 3.968 1.00 6.51 H new ATOM 0 HA LEU A 50 2.938 7.337 2.901 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.612 4.709 1.873 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.241 5.241 1.504 1.00 7.13 H new ATOM 0 HG LEU A 50 2.199 4.053 4.094 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.232 2.606 3.560 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.135 2.669 2.160 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.609 3.666 2.181 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.165 4.520 5.256 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.701 5.614 3.958 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.226 5.985 4.882 1.00 9.11 H new ATOM 813 N GLU A 51 2.163 8.316 0.757 1.00 9.43 N ATOM 814 CA GLU A 51 1.543 9.166 -0.222 1.00 11.90 C ATOM 815 C GLU A 51 1.785 8.606 -1.639 1.00 11.49 C ATOM 816 O GLU A 51 2.902 8.140 -1.895 1.00 9.88 O ATOM 817 CB GLU A 51 1.935 10.664 -0.088 1.00 16.56 C ATOM 818 CG GLU A 51 1.457 11.175 1.283 1.00 26.06 C ATOM 819 CD GLU A 51 1.553 12.691 1.248 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.664 13.235 1.300 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.511 13.410 1.207 1.00 33.44 O ATOM 0 H GLU A 51 3.158 8.488 0.902 1.00 9.43 H new ATOM 0 HA GLU A 51 0.470 9.154 -0.029 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.015 10.782 -0.181 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.480 11.247 -0.889 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.433 10.858 1.477 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.074 10.768 2.084 1.00 26.06 H new ATOM 828 N ASP A 52 0.770 8.687 -2.501 1.00 12.71 N ATOM 829 CA ASP A 52 0.541 8.048 -3.780 1.00 16.56 C ATOM 830 C ASP A 52 1.690 8.222 -4.738 1.00 15.83 C ATOM 831 O ASP A 52 2.202 7.266 -5.291 1.00 17.21 O ATOM 832 CB ASP A 52 -0.862 8.423 -4.381 1.00 21.05 C ATOM 833 CG ASP A 52 -1.978 8.077 -3.469 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.103 8.775 -2.437 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.802 7.194 -3.832 1.00 28.37 O ATOM 0 H ASP A 52 -0.019 9.293 -2.275 1.00 12.71 H new ATOM 0 HA ASP A 52 0.503 6.974 -3.598 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.889 9.492 -4.595 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.998 7.905 -5.330 1.00 21.05 H new ATOM 840 N GLY A 53 2.200 9.438 -4.887 1.00 15.00 N ATOM 841 CA GLY A 53 3.272 9.758 -5.726 1.00 11.77 C ATOM 842 C GLY A 53 4.647 9.496 -5.208 1.00 11.10 C ATOM 843 O GLY A 53 5.623 9.749 -5.933 1.00 11.25 O ATOM 0 H GLY A 53 1.834 10.247 -4.385 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.150 9.203 -6.656 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.201 10.817 -5.975 1.00 11.77 H new ATOM 847 N ARG A 54 4.790 9.012 -3.947 1.00 8.53 N ATOM 848 CA ARG A 54 6.164 8.766 -3.354 1.00 9.05 C ATOM 849 C ARG A 54 6.426 7.269 -3.497 1.00 8.96 C ATOM 850 O ARG A 54 5.561 6.486 -3.834 1.00 11.60 O ATOM 851 CB ARG A 54 6.328 9.227 -1.924 1.00 7.97 C ATOM 852 CG ARG A 54 5.980 10.701 -1.706 1.00 9.62 C ATOM 853 CD ARG A 54 6.756 11.715 -2.517 1.00 12.20 C ATOM 854 NE ARG A 54 6.332 13.084 -2.006 1.00 18.23 N ATOM 855 CZ ARG A 54 6.638 14.252 -2.515 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.329 14.331 -3.664 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.171 15.292 -1.881 1.00 23.38 N ATOM 0 H ARG A 54 4.012 8.786 -3.327 1.00 8.53 H new ATOM 0 HA ARG A 54 6.896 9.367 -3.894 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.696 8.615 -1.280 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.359 9.057 -1.613 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.920 10.835 -1.921 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.123 10.931 -0.650 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.830 11.570 -2.396 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.538 11.612 -3.580 1.00 12.20 H new ATOM 0 HE ARG A 54 5.743 13.094 -1.173 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.618 13.479 -4.145 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.565 15.243 -4.056 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.605 15.166 -1.042 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.372 16.231 -2.224 1.00 23.38 H new ATOM 871 N THR A 55 7.732 6.894 -3.353 1.00 9.05 N ATOM 872 CA THR A 55 8.108 5.529 -3.580 1.00 9.03 C ATOM 873 C THR A 55 8.230 4.752 -2.269 1.00 8.15 C ATOM 874 O THR A 55 8.144 5.355 -1.187 1.00 5.91 O ATOM 875 CB THR A 55 9.377 5.424 -4.461 1.00 11.15 C ATOM 876 OG1 THR A 55 10.479 5.984 -3.788 1.00 11.95 O ATOM 877 CG2 THR A 55 9.269 6.176 -5.762 1.00 11.71 C ATOM 0 H THR A 55 8.494 7.519 -3.089 1.00 9.05 H new ATOM 0 HA THR A 55 7.304 5.055 -4.144 1.00 9.03 H new ATOM 0 HB THR A 55 9.496 4.360 -4.664 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.284 6.917 -3.561 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.193 6.059 -6.328 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.435 5.781 -6.343 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.100 7.233 -5.558 1.00 11.71 H new ATOM 885 N LEU A 56 8.426 3.421 -2.332 1.00 6.91 N ATOM 886 CA LEU A 56 8.900 2.628 -1.209 1.00 8.29 C ATOM 887 C LEU A 56 10.271 3.064 -0.690 1.00 8.05 C ATOM 888 O LEU A 56 10.491 2.944 0.518 1.00 10.17 O ATOM 889 CB LEU A 56 8.880 1.166 -1.603 1.00 6.60 C ATOM 890 CG LEU A 56 7.484 0.635 -2.033 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.594 -0.764 -2.685 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.498 0.647 -0.912 1.00 8.64 C ATOM 0 H LEU A 56 8.255 2.873 -3.175 1.00 6.91 H new ATOM 0 HA LEU A 56 8.225 2.792 -0.369 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.581 1.014 -2.423 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.238 0.571 -0.763 1.00 6.60 H new ATOM 0 HG LEU A 56 7.100 1.324 -2.786 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.602 -1.109 -2.975 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.230 -0.705 -3.568 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.028 -1.465 -1.972 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.540 0.267 -1.266 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.862 0.016 -0.101 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.372 1.667 -0.549 1.00 8.64 H new ATOM 904 N SER A 57 11.123 3.473 -1.592 1.00 8.92 N ATOM 905 CA SER A 57 12.456 3.944 -1.284 1.00 9.00 C ATOM 906 C SER A 57 12.399 5.249 -0.515 1.00 9.44 C ATOM 907 O SER A 57 13.194 5.436 0.383 1.00 10.91 O ATOM 908 CB SER A 57 13.257 4.080 -2.624 1.00 10.32 C ATOM 909 OG SER A 57 14.656 4.354 -2.491 1.00 13.59 O ATOM 0 H SER A 57 10.908 3.490 -2.589 1.00 8.92 H new ATOM 0 HA SER A 57 12.970 3.230 -0.641 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.140 3.156 -3.190 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.805 4.876 -3.216 1.00 10.32 H new ATOM 0 HG SER A 57 15.063 4.418 -3.380 1.00 13.59 H new ATOM 915 N ASP A 58 11.416 6.187 -0.697 1.00 9.11 N ATOM 916 CA ASP A 58 11.347 7.473 0.036 1.00 7.91 C ATOM 917 C ASP A 58 11.055 7.343 1.513 1.00 9.12 C ATOM 918 O ASP A 58 11.685 8.012 2.318 1.00 8.61 O ATOM 919 CB ASP A 58 10.269 8.436 -0.643 1.00 8.41 C ATOM 920 CG ASP A 58 10.622 8.818 -2.033 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.632 9.614 -2.275 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.876 8.540 -2.984 1.00 11.70 O ATOM 0 H ASP A 58 10.652 6.061 -1.361 1.00 9.11 H new ATOM 0 HA ASP A 58 12.347 7.900 -0.034 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.298 7.941 -0.644 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.166 9.338 -0.040 1.00 8.41 H new ATOM 927 N TYR A 59 10.116 6.467 1.880 1.00 7.97 N ATOM 928 CA TYR A 59 9.859 6.108 3.281 1.00 8.45 C ATOM 929 C TYR A 59 10.710 4.938 3.791 1.00 10.98 C ATOM 930 O TYR A 59 10.432 4.453 4.871 1.00 12.95 O ATOM 931 CB TYR A 59 8.401 5.586 3.331 1.00 7.94 C ATOM 932 CG TYR A 59 7.436 6.621 2.814 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.358 7.898 3.431 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.591 6.308 1.756 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.438 8.825 2.970 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.773 7.311 1.232 1.00 6.52 C ATOM 937 CZ TYR A 59 5.646 8.528 1.882 1.00 6.76 C ATOM 938 OH TYR A 59 4.774 9.506 1.490 1.00 7.63 O ATOM 0 H TYR A 59 9.511 5.985 1.215 1.00 7.97 H new ATOM 0 HA TYR A 59 10.076 6.988 3.887 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.317 4.676 2.736 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.141 5.322 4.356 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.012 8.145 4.254 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.567 5.309 1.347 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.341 9.781 3.463 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.235 7.137 0.312 1.00 6.52 H new ATOM 0 HH TYR A 59 5.150 10.385 1.706 1.00 7.63 H new ATOM 948 N ASN A 60 11.680 4.475 3.076 1.00 12.38 N ATOM 949 CA ASN A 60 12.632 3.437 3.512 1.00 13.94 C ATOM 950 C ASN A 60 11.980 2.077 3.814 1.00 14.16 C ATOM 951 O ASN A 60 12.282 1.366 4.752 1.00 14.26 O ATOM 952 CB ASN A 60 13.492 3.866 4.702 1.00 19.23 C ATOM 953 CG ASN A 60 14.117 5.297 4.618 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.982 6.095 5.564 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.874 5.600 3.532 1.00 24.09 N ATOM 0 H ASN A 60 11.862 4.805 2.128 1.00 12.38 H new ATOM 0 HA ASN A 60 13.280 3.309 2.645 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.882 3.810 5.604 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.301 3.145 4.819 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.350 6.501 3.477 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.967 4.927 2.771 1.00 24.09 H new ATOM 962 N ILE A 61 11.091 1.670 2.882 1.00 11.08 N ATOM 963 CA ILE A 61 10.292 0.440 3.038 1.00 11.78 C ATOM 964 C ILE A 61 11.019 -0.688 2.366 1.00 13.74 C ATOM 965 O ILE A 61 11.261 -0.739 1.177 1.00 14.60 O ATOM 966 CB ILE A 61 8.819 0.514 2.529 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.108 1.709 3.151 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.103 -0.817 2.700 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.936 2.196 2.370 1.00 11.42 C ATOM 0 H ILE A 61 10.910 2.176 2.015 1.00 11.08 H new ATOM 0 HA ILE A 61 10.192 0.282 4.112 1.00 11.78 H new ATOM 0 HB ILE A 61 8.811 0.689 1.453 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.776 1.439 4.153 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.822 2.525 3.261 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.080 -0.729 2.335 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.626 -1.587 2.132 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.090 -1.090 3.755 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.487 3.048 2.881 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.262 2.500 1.376 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.200 1.397 2.282 1.00 11.42 H new ATOM 981 N GLN A 62 11.493 -1.575 3.201 1.00 13.97 N ATOM 982 CA GLN A 62 12.440 -2.641 2.788 1.00 15.52 C ATOM 983 C GLN A 62 11.663 -3.916 2.488 1.00 13.94 C ATOM 984 O GLN A 62 10.488 -4.168 2.764 1.00 12.15 O ATOM 985 CB GLN A 62 13.596 -2.981 3.714 1.00 19.53 C ATOM 986 CG GLN A 62 14.374 -1.696 4.103 1.00 26.38 C ATOM 987 CD GLN A 62 15.617 -1.957 4.975 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.487 -2.464 6.069 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.792 -1.726 4.416 1.00 32.71 N ATOM 0 H GLN A 62 11.249 -1.600 4.191 1.00 13.97 H new ATOM 0 HA GLN A 62 12.929 -2.208 1.916 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.219 -3.471 4.612 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.268 -3.686 3.224 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.682 -1.181 3.193 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.702 -1.024 4.637 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.842 -1.296 3.492 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.649 -1.977 4.908 1.00 32.71 H new ATOM 998 N LYS A 63 12.379 -4.869 1.865 1.00 11.73 N ATOM 999 CA LYS A 63 12.015 -6.260 1.875 1.00 11.97 C ATOM 1000 C LYS A 63 11.457 -6.819 3.207 1.00 10.41 C ATOM 1001 O LYS A 63 11.985 -6.571 4.265 1.00 9.59 O ATOM 1002 CB LYS A 63 13.316 -6.998 1.605 1.00 13.73 C ATOM 1003 CG LYS A 63 13.319 -8.531 1.377 1.00 16.98 C ATOM 1004 CD LYS A 63 14.581 -9.192 0.943 1.00 20.19 C ATOM 1005 CE LYS A 63 15.820 -9.062 1.880 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.684 -9.948 3.020 1.00 25.97 N ATOM 0 H LYS A 63 13.232 -4.673 1.341 1.00 11.73 H new ATOM 0 HA LYS A 63 11.211 -6.390 1.150 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.768 -6.541 0.725 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.980 -6.797 2.445 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.003 -9.003 2.307 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.556 -8.755 0.631 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.374 -10.253 0.804 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.853 -8.790 -0.033 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.728 -9.305 1.329 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.920 -8.032 2.221 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.516 -9.851 3.636 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.827 -9.698 3.554 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.611 -10.931 2.689 1.00 25.97 H new ATOM 1020 N GLU A 64 10.339 -7.575 3.051 1.00 10.04 N ATOM 1021 CA GLU A 64 9.628 -8.223 4.096 1.00 10.94 C ATOM 1022 C GLU A 64 9.158 -7.246 5.221 1.00 9.74 C ATOM 1023 O GLU A 64 9.345 -7.421 6.427 1.00 9.42 O ATOM 1024 CB GLU A 64 10.419 -9.385 4.694 1.00 18.31 C ATOM 1025 CG GLU A 64 10.820 -10.482 3.713 1.00 24.16 C ATOM 1026 CD GLU A 64 11.485 -11.757 4.205 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.671 -11.993 5.419 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.861 -12.543 3.375 1.00 31.72 O ATOM 0 H GLU A 64 9.919 -7.734 2.135 1.00 10.04 H new ATOM 0 HA GLU A 64 8.730 -8.624 3.626 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.323 -8.987 5.156 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.825 -9.834 5.491 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.919 -10.777 3.176 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.492 -10.030 2.984 1.00 24.16 H new ATOM 1035 N SER A 65 8.476 -6.174 4.812 1.00 6.85 N ATOM 1036 CA SER A 65 7.809 -5.265 5.698 1.00 6.90 C ATOM 1037 C SER A 65 6.290 -5.263 5.423 1.00 4.72 C ATOM 1038 O SER A 65 5.827 -5.643 4.320 1.00 3.91 O ATOM 1039 CB SER A 65 8.372 -3.838 5.545 1.00 7.28 C ATOM 1040 OG SER A 65 8.093 -3.052 6.677 1.00 10.56 O ATOM 0 H SER A 65 8.380 -5.923 3.828 1.00 6.85 H new ATOM 0 HA SER A 65 7.984 -5.600 6.720 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.450 -3.885 5.390 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.943 -3.369 4.660 1.00 7.28 H new ATOM 0 HG SER A 65 7.697 -2.201 6.395 1.00 10.56 H new ATOM 1046 N THR A 66 5.595 -4.918 6.463 1.00 4.48 N ATOM 1047 CA THR A 66 4.131 -5.007 6.407 1.00 3.80 C ATOM 1048 C THR A 66 3.570 -3.596 6.210 1.00 4.60 C ATOM 1049 O THR A 66 3.768 -2.720 7.010 1.00 5.33 O ATOM 1050 CB THR A 66 3.587 -5.598 7.709 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.076 -6.876 7.870 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.074 -5.675 7.672 1.00 3.40 C ATOM 0 H THR A 66 5.982 -4.580 7.344 1.00 4.48 H new ATOM 0 HA THR A 66 3.832 -5.653 5.582 1.00 3.80 H new ATOM 0 HB THR A 66 3.899 -4.956 8.532 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.730 -7.256 8.705 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.708 -6.098 8.608 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.662 -4.675 7.541 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.762 -6.308 6.841 1.00 3.40 H new ATOM 1060 N LEU A 67 2.764 -3.343 5.129 1.00 4.17 N ATOM 1061 CA LEU A 67 1.937 -2.172 5.054 1.00 3.85 C ATOM 1062 C LEU A 67 0.511 -2.459 5.678 1.00 3.80 C ATOM 1063 O LEU A 67 -0.069 -3.486 5.566 1.00 5.54 O ATOM 1064 CB LEU A 67 1.839 -1.577 3.643 1.00 7.18 C ATOM 1065 CG LEU A 67 3.151 -1.422 2.862 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.903 -0.494 1.657 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.338 -0.849 3.665 1.00 11.66 C ATOM 0 H LEU A 67 2.696 -3.956 4.317 1.00 4.17 H new ATOM 0 HA LEU A 67 2.428 -1.403 5.651 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.167 -2.204 3.057 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.372 -0.595 3.721 1.00 7.18 H new ATOM 0 HG LEU A 67 3.437 -2.434 2.575 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.828 -0.375 1.093 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.139 -0.930 1.013 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.566 0.480 2.011 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.214 -0.781 3.020 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.082 0.144 4.035 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.558 -1.505 4.508 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.019 -1.367 6.357 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.467 -1.446 6.695 1.00 4.17 C ATOM 1081 C HIS A 68 -2.278 -0.821 5.618 1.00 5.32 C ATOM 1082 O HIS A 68 -1.832 0.130 4.998 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.588 -0.670 8.041 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.742 -1.143 9.239 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.981 -2.264 10.001 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.516 -0.733 9.556 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.065 -2.369 10.774 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.042 -1.519 10.554 1.00 16.30 N ATOM 0 H HIS A 68 0.480 -0.525 6.644 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.834 -2.468 6.788 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.335 0.372 7.847 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.635 -0.693 8.344 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.030 0.094 9.089 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.124 -3.115 11.553 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.954 -1.458 11.006 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.441 -1.380 5.405 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.343 -0.963 4.341 1.00 3.97 C ATOM 1098 C LEU A 69 -5.678 -0.593 4.855 1.00 5.07 C ATOM 1099 O LEU A 69 -6.381 -1.462 5.362 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.450 -2.189 3.358 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.296 -2.012 2.101 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.039 -0.756 1.326 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.371 -3.326 1.287 1.00 9.96 C ATOM 0 H LEU A 69 -3.801 -2.150 5.969 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.958 -0.072 3.844 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.441 -2.461 3.049 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.851 -3.034 3.917 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.317 -1.821 2.431 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.691 -0.727 0.453 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.241 0.109 1.958 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.998 -0.734 1.003 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.981 -3.168 0.397 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.367 -3.628 0.990 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.819 -4.108 1.900 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.032 0.714 4.819 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.211 1.236 5.446 1.00 6.26 C ATOM 1117 C VAL A 70 -8.094 1.829 4.387 1.00 9.22 C ATOM 1118 O VAL A 70 -7.745 2.535 3.456 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.888 2.260 6.635 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.664 1.733 7.370 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.510 3.685 6.216 1.00 8.54 C ATOM 0 H VAL A 70 -5.479 1.424 4.339 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.742 0.419 5.934 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.810 2.320 7.213 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.413 2.407 8.189 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -5.878 0.741 7.768 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.823 1.673 6.679 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.314 4.286 7.104 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.616 3.656 5.593 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.331 4.128 5.652 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.369 1.535 4.529 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.326 1.465 3.439 1.00 16.06 C ATOM 1133 C LEU A 71 -11.445 2.476 3.575 1.00 18.09 C ATOM 1134 O LEU A 71 -12.050 2.723 4.620 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.901 0.016 3.123 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.803 -1.056 2.869 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.271 -2.511 2.828 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.127 -0.586 1.559 1.00 19.57 C ATOM 0 H LEU A 71 -9.785 1.331 5.438 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.727 1.730 2.568 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.524 -0.307 3.957 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.547 0.075 2.247 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.118 -1.105 3.715 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.417 -3.163 2.645 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.729 -2.773 3.782 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.001 -2.636 2.028 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.331 -1.281 1.291 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.866 -0.555 0.759 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.707 0.409 1.703 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.716 3.154 2.460 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.626 4.263 2.367 1.00 25.83 C ATOM 1152 C ARG A 72 -13.800 3.924 1.509 1.00 27.74 C ATOM 1153 O ARG A 72 -13.717 2.959 0.727 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.953 5.526 1.743 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.623 5.940 2.371 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.627 6.081 3.892 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.629 7.197 4.091 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.522 8.145 5.019 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.542 8.122 5.881 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.479 9.076 5.215 1.00 35.02 N ATOM 0 H ARG A 72 -11.281 2.924 1.566 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.938 4.476 3.389 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.792 5.343 0.681 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.648 6.362 1.821 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.867 5.206 2.094 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.317 6.892 1.937 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.935 5.161 4.388 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.643 6.340 4.282 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.440 7.225 3.473 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.850 7.373 5.847 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.468 8.853 6.589 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.322 9.069 4.641 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.359 9.786 5.937 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.925 4.738 1.636 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.030 4.725 0.730 1.00 30.76 C ATOM 1176 C LEU A 73 -15.771 5.842 -0.221 1.00 32.18 C ATOM 1177 O LEU A 73 -14.809 6.577 -0.088 1.00 32.31 O ATOM 1178 CB LEU A 73 -17.394 4.846 1.485 1.00 30.53 C ATOM 1179 CG LEU A 73 -17.788 3.605 2.252 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -19.112 3.964 3.057 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.983 2.451 1.238 1.00 29.11 C ATOM 0 H LEU A 73 -15.036 5.408 2.397 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.114 3.782 0.190 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -17.340 5.686 2.177 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -18.177 5.078 0.763 1.00 30.53 H new ATOM 0 HG LEU A 73 -17.031 3.278 2.964 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -19.437 3.095 3.629 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -18.911 4.792 3.737 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -19.897 4.252 2.357 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -18.268 1.543 1.770 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.767 2.718 0.529 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -17.051 2.278 0.700 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.631 6.015 -1.266 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.630 7.153 -2.176 1.00 35.33 C ATOM 1195 C ARG A 74 -16.949 8.478 -1.494 1.00 36.22 C ATOM 1196 O ARG A 74 -16.196 9.437 -1.573 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.585 6.884 -3.336 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.160 5.599 -4.151 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.827 5.635 -4.826 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.657 4.425 -5.641 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.633 4.355 -6.482 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.677 5.275 -6.601 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.594 3.260 -7.222 1.00 41.93 N ATOM 0 H ARG A 74 -17.358 5.335 -1.488 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.614 7.260 -2.556 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.597 6.755 -2.953 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.604 7.748 -4.001 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.173 4.747 -3.471 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.920 5.413 -4.910 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.749 6.523 -5.454 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.033 5.700 -4.082 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.316 3.650 -5.562 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.699 6.112 -6.018 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.923 5.143 -7.275 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.318 2.549 -7.120 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.839 3.126 -7.895 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.929 8.477 -0.569 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.297 9.590 0.285 1.00 36.07 C ATOM 1219 C GLY A 75 -17.724 9.633 1.682 1.00 36.16 C ATOM 1220 O GLY A 75 -18.087 10.476 2.484 1.00 36.26 O ATOM 0 H GLY A 75 -18.505 7.652 -0.400 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.008 10.510 -0.223 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.384 9.601 0.370 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.811 8.700 2.018 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.140 8.482 3.263 1.00 36.19 C ATOM 1226 C GLY A 76 -14.808 7.912 3.209 1.00 36.20 C ATOM 1227 O GLY A 76 -13.878 8.645 2.761 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.611 6.723 3.591 1.00 0.00 O ATOM 0 H GLY A 76 -16.509 8.015 1.325 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.077 9.437 3.784 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.763 7.827 3.872 1.00 36.19 H new TER 1232 GLY A 76