USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 131:sc= 0.713 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.635 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.0914 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.414 K(o=0.32,f=-6.5!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -111:sc= 0.97 (180deg=-0.634) USER MOD Set 3.2: A 12 THR OG1 : rot 144:sc= 0.534 USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.159) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.32 (180deg=2.32) USER MOD Single : A 2 GLN : amide:sc= 0.088 K(o=0.088,f=-0.51) USER MOD Single : A 7 THR OG1 : rot 140:sc= -0.282 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= 1.18 (180deg=0.841) USER MOD Single : A 14 THR OG1 : rot -94:sc= 0.396 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.64 (180deg=1.41) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00913) USER MOD Single : A 31 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.6) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= 1.24 (180deg=0.562) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.49 K(o=1.5,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.491 USER MOD Single : A 60 ASN : amide:sc= -0.0718 X(o=-0.072,f=-0.072) 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 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.319 X(o=-0.32,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.979 -7.500 -5.111 1.00 9.67 N ATOM 2 CA MET A 1 10.936 -7.812 -3.721 1.00 10.38 C ATOM 3 C MET A 1 9.544 -8.090 -3.145 1.00 9.62 C ATOM 4 O MET A 1 8.564 -7.415 -3.510 1.00 9.62 O ATOM 5 CB MET A 1 11.597 -6.676 -2.955 1.00 13.77 C ATOM 6 CG MET A 1 10.822 -5.401 -2.700 1.00 16.29 C ATOM 7 SD MET A 1 11.980 -4.070 -2.181 1.00 17.17 S ATOM 8 CE MET A 1 10.736 -2.750 -1.972 1.00 16.11 C ATOM 0 H1 MET A 1 11.967 -7.363 -5.406 1.00 9.67 H new ATOM 0 H2 MET A 1 10.560 -8.281 -5.655 1.00 9.67 H new ATOM 0 H3 MET A 1 10.441 -6.628 -5.288 1.00 9.67 H new ATOM 0 HA MET A 1 11.470 -8.755 -3.606 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.905 -7.070 -1.987 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.506 -6.404 -3.492 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.288 -5.101 -3.602 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.073 -5.567 -1.926 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.197 -1.890 -1.487 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.352 -2.454 -2.948 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.915 -3.118 -1.356 1.00 16.11 H new ATOM 20 N GLN A 2 9.459 -9.078 -2.235 1.00 9.27 N ATOM 21 CA GLN A 2 8.277 -9.299 -1.439 1.00 9.07 C ATOM 22 C GLN A 2 8.081 -8.101 -0.521 1.00 8.72 C ATOM 23 O GLN A 2 9.010 -7.561 0.063 1.00 8.22 O ATOM 24 CB GLN A 2 8.270 -10.626 -0.651 1.00 14.46 C ATOM 25 CG GLN A 2 8.417 -11.865 -1.564 1.00 17.01 C ATOM 26 CD GLN A 2 7.160 -12.032 -2.385 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.251 -12.756 -2.043 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.078 -11.444 -3.602 1.00 19.49 N ATOM 0 H GLN A 2 10.216 -9.735 -2.045 1.00 9.27 H new ATOM 0 HA GLN A 2 7.437 -9.398 -2.127 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.083 -10.617 0.075 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.340 -10.704 -0.087 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.280 -11.748 -2.219 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.593 -12.756 -0.962 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.825 -10.828 -3.922 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.269 -11.617 -4.198 1.00 19.49 H new ATOM 37 N ILE A 3 6.815 -7.665 -0.360 1.00 5.87 N ATOM 38 CA ILE A 3 6.421 -6.868 0.793 1.00 5.07 C ATOM 39 C ILE A 3 5.053 -7.315 1.322 1.00 4.01 C ATOM 40 O ILE A 3 4.307 -8.032 0.658 1.00 4.61 O ATOM 41 CB ILE A 3 6.379 -5.334 0.545 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.331 -4.986 -0.446 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.776 -4.767 0.098 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.809 -3.540 -0.405 1.00 10.83 C ATOM 0 H ILE A 3 6.059 -7.857 -1.018 1.00 5.87 H new ATOM 0 HA ILE A 3 7.206 -7.047 1.527 1.00 5.07 H new ATOM 0 HB ILE A 3 6.128 -4.864 1.496 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.725 -5.179 -1.444 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.486 -5.659 -0.301 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.698 -3.692 -0.064 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.514 -4.964 0.875 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.086 -5.251 -0.828 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.048 -3.406 -1.174 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.375 -3.338 0.574 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.633 -2.850 -0.586 1.00 10.83 H new ATOM 56 N PHE A 4 4.644 -7.019 2.566 1.00 4.55 N ATOM 57 CA PHE A 4 3.354 -7.468 3.189 1.00 4.68 C ATOM 58 C PHE A 4 2.440 -6.363 3.379 1.00 5.30 C ATOM 59 O PHE A 4 2.824 -5.255 3.752 1.00 5.58 O ATOM 60 CB PHE A 4 3.617 -8.230 4.601 1.00 4.83 C ATOM 61 CG PHE A 4 4.673 -9.257 4.420 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.377 -10.536 3.879 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.001 -9.014 4.802 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.408 -11.423 3.527 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.033 -9.899 4.464 1.00 10.61 C ATOM 66 CZ PHE A 4 6.777 -11.083 3.778 1.00 8.90 C ATOM 0 H PHE A 4 5.205 -6.446 3.197 1.00 4.55 H new ATOM 0 HA PHE A 4 2.893 -8.172 2.496 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.920 -7.512 5.363 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.697 -8.697 4.951 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.348 -10.830 3.737 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.233 -8.125 5.369 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.167 -12.368 3.064 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.048 -9.658 4.741 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.582 -11.723 3.447 1.00 8.90 H new ATOM 76 N VAL A 5 1.200 -6.519 3.024 1.00 4.44 N ATOM 77 CA VAL A 5 0.147 -5.492 3.206 1.00 3.87 C ATOM 78 C VAL A 5 -0.802 -6.245 4.017 1.00 4.93 C ATOM 79 O VAL A 5 -1.327 -7.268 3.557 1.00 6.84 O ATOM 80 CB VAL A 5 -0.540 -4.928 1.928 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.614 -3.898 2.345 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.617 -4.219 1.157 1.00 9.13 C ATOM 0 H VAL A 5 0.856 -7.374 2.587 1.00 4.44 H new ATOM 0 HA VAL A 5 0.560 -4.575 3.626 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.032 -5.693 1.326 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.100 -3.498 1.455 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.358 -4.383 2.977 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.143 -3.085 2.897 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.228 -3.787 0.235 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.038 -3.429 1.779 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.394 -4.945 0.918 1.00 9.13 H new ATOM 92 N LYS A 6 -1.181 -5.727 5.213 1.00 6.04 N ATOM 93 CA LYS A 6 -2.187 -6.427 6.080 1.00 6.12 C ATOM 94 C LYS A 6 -3.430 -5.576 6.103 1.00 6.57 C ATOM 95 O LYS A 6 -3.396 -4.368 6.192 1.00 5.76 O ATOM 96 CB LYS A 6 -1.632 -6.622 7.469 1.00 7.45 C ATOM 97 CG LYS A 6 -0.326 -7.447 7.544 1.00 11.12 C ATOM 98 CD LYS A 6 -0.102 -7.974 8.959 1.00 14.54 C ATOM 99 CE LYS A 6 0.934 -9.139 9.036 1.00 18.84 C ATOM 100 NZ LYS A 6 0.545 -10.351 8.319 1.00 20.55 N ATOM 0 H LYS A 6 -0.823 -4.853 5.598 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.421 -7.416 5.687 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.451 -5.643 7.912 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.389 -7.113 8.080 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.376 -8.281 6.844 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.519 -6.828 7.243 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.237 -7.155 9.593 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.054 -8.318 9.364 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.886 -8.787 8.638 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.100 -9.391 10.083 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.342 -11.108 9.002 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.305 -10.160 7.751 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.321 -10.648 7.693 1.00 20.55 H new ATOM 114 N THR A 7 -4.603 -6.149 6.084 1.00 7.41 N ATOM 115 CA THR A 7 -5.847 -5.435 5.993 1.00 7.48 C ATOM 116 C THR A 7 -6.530 -5.510 7.314 1.00 8.75 C ATOM 117 O THR A 7 -6.076 -6.255 8.221 1.00 8.58 O ATOM 118 CB THR A 7 -6.683 -5.946 4.837 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.456 -7.112 5.167 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.831 -6.271 3.643 1.00 9.17 C ATOM 0 H THR A 7 -4.722 -7.161 6.133 1.00 7.41 H new ATOM 0 HA THR A 7 -5.675 -4.382 5.770 1.00 7.48 H new ATOM 0 HB THR A 7 -7.369 -5.131 4.604 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.344 -7.042 4.758 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.463 -6.635 2.833 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.304 -5.374 3.317 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.107 -7.040 3.911 1.00 9.17 H new ATOM 128 N LEU A 8 -7.622 -4.783 7.486 1.00 9.84 N ATOM 129 CA LEU A 8 -8.245 -4.607 8.763 1.00 14.15 C ATOM 130 C LEU A 8 -8.567 -5.795 9.574 1.00 17.37 C ATOM 131 O LEU A 8 -8.364 -5.744 10.796 1.00 17.01 O ATOM 132 CB LEU A 8 -9.566 -3.856 8.538 1.00 16.63 C ATOM 133 CG LEU A 8 -10.229 -3.264 9.771 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.297 -2.233 10.317 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.555 -2.668 9.411 1.00 18.59 C ATOM 0 H LEU A 8 -8.097 -4.297 6.725 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.483 -4.086 9.342 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.383 -3.049 7.829 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.271 -4.540 8.067 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.421 -4.030 10.523 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.735 -1.781 11.207 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.348 -2.702 10.578 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.126 -1.463 9.565 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.019 -2.248 10.303 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.411 -1.880 8.671 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.201 -3.442 8.996 1.00 18.59 H new ATOM 147 N THR A 9 -8.956 -6.946 8.920 1.00 18.33 N ATOM 148 CA THR A 9 -9.461 -8.138 9.628 1.00 19.24 C ATOM 149 C THR A 9 -8.393 -8.994 10.087 1.00 19.48 C ATOM 150 O THR A 9 -8.584 -9.923 10.866 1.00 23.14 O ATOM 151 CB THR A 9 -10.441 -8.906 8.706 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.698 -9.351 7.543 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.560 -7.989 8.291 1.00 19.70 C ATOM 0 H THR A 9 -8.922 -7.053 7.906 1.00 18.33 H new ATOM 0 HA THR A 9 -9.991 -7.807 10.521 1.00 19.24 H new ATOM 0 HB THR A 9 -10.872 -9.763 9.224 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.295 -9.843 6.942 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.250 -8.528 7.642 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.092 -7.640 9.176 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.150 -7.134 7.754 1.00 19.70 H new ATOM 161 N GLY A 10 -7.144 -8.719 9.590 1.00 19.43 N ATOM 162 CA GLY A 10 -5.893 -9.444 9.875 1.00 18.74 C ATOM 163 C GLY A 10 -5.377 -10.241 8.671 1.00 17.62 C ATOM 164 O GLY A 10 -4.218 -10.695 8.608 1.00 19.74 O ATOM 0 H GLY A 10 -6.992 -7.941 8.947 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.129 -8.732 10.187 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.056 -10.124 10.711 1.00 18.74 H new ATOM 168 N LYS A 11 -6.266 -10.359 7.655 1.00 13.56 N ATOM 169 CA LYS A 11 -5.915 -10.749 6.304 1.00 11.91 C ATOM 170 C LYS A 11 -4.599 -10.168 5.764 1.00 10.18 C ATOM 171 O LYS A 11 -4.279 -8.988 5.966 1.00 9.10 O ATOM 172 CB LYS A 11 -7.044 -10.561 5.264 1.00 13.43 C ATOM 173 CG LYS A 11 -6.774 -11.180 3.882 1.00 16.69 C ATOM 174 CD LYS A 11 -7.987 -10.930 2.947 1.00 17.92 C ATOM 175 CE LYS A 11 -8.174 -9.462 2.530 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.272 -9.287 1.625 1.00 21.93 N ATOM 0 H LYS A 11 -7.263 -10.178 7.774 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.754 -11.819 6.432 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.961 -10.994 5.665 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.224 -9.494 5.137 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.873 -10.745 3.448 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.595 -12.251 3.982 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.870 -11.538 2.050 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.893 -11.271 3.448 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.338 -8.853 3.419 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.259 -9.101 2.061 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.597 -8.300 1.660 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.965 -9.516 0.658 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -10.052 -9.918 1.899 1.00 21.93 H new ATOM 190 N THR A 12 -3.796 -10.994 5.127 1.00 9.63 N ATOM 191 CA THR A 12 -2.483 -10.526 4.713 1.00 9.85 C ATOM 192 C THR A 12 -2.424 -10.849 3.229 1.00 11.66 C ATOM 193 O THR A 12 -2.975 -11.879 2.820 1.00 12.33 O ATOM 194 CB THR A 12 -1.336 -11.297 5.350 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.381 -11.064 6.711 1.00 10.91 O ATOM 196 CG2 THR A 12 0.061 -10.745 4.957 1.00 9.63 C ATOM 0 H THR A 12 -4.015 -11.961 4.889 1.00 9.63 H new ATOM 0 HA THR A 12 -2.372 -9.477 4.988 1.00 9.85 H new ATOM 0 HB THR A 12 -1.450 -12.334 5.035 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.119 -11.877 7.191 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.836 -11.337 5.443 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.184 -10.804 3.876 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.145 -9.706 5.276 1.00 9.63 H new ATOM 204 N ILE A 13 -1.822 -9.947 2.389 1.00 10.42 N ATOM 205 CA ILE A 13 -1.491 -10.217 0.987 1.00 11.84 C ATOM 206 C ILE A 13 -0.041 -9.857 0.847 1.00 10.55 C ATOM 207 O ILE A 13 0.537 -9.010 1.562 1.00 11.92 O ATOM 208 CB ILE A 13 -2.440 -9.394 0.091 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.455 -7.958 0.599 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.799 -10.153 0.001 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.985 -6.918 -0.412 1.00 16.46 C ATOM 0 H ILE A 13 -1.559 -9.008 2.689 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.627 -11.254 0.681 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.117 -9.300 -0.946 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.067 -7.913 1.500 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.442 -7.679 0.888 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.489 -9.591 -0.628 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.636 -11.140 -0.431 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.223 -10.259 0.999 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.958 -5.926 0.039 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.361 -6.928 -1.305 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.011 -7.165 -0.684 1.00 16.46 H new ATOM 223 N THR A 14 0.672 -10.636 -0.051 1.00 9.39 N ATOM 224 CA THR A 14 2.155 -10.529 -0.154 1.00 9.63 C ATOM 225 C THR A 14 2.459 -10.099 -1.545 1.00 11.20 C ATOM 226 O THR A 14 1.963 -10.727 -2.505 1.00 11.63 O ATOM 227 CB THR A 14 2.950 -11.767 0.202 1.00 10.38 C ATOM 228 OG1 THR A 14 2.614 -12.155 1.512 1.00 16.30 O ATOM 229 CG2 THR A 14 4.471 -11.480 0.233 1.00 11.66 C ATOM 0 H THR A 14 0.249 -11.315 -0.684 1.00 9.39 H new ATOM 0 HA THR A 14 2.473 -9.810 0.601 1.00 9.63 H new ATOM 0 HB THR A 14 2.722 -12.527 -0.546 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.253 -11.763 2.143 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.008 -12.392 0.492 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.796 -11.134 -0.748 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.681 -10.712 0.977 1.00 11.66 H new ATOM 237 N LEU A 15 3.249 -9.047 -1.755 1.00 8.29 N ATOM 238 CA LEU A 15 3.339 -8.388 -3.076 1.00 9.03 C ATOM 239 C LEU A 15 4.766 -8.337 -3.600 1.00 8.59 C ATOM 240 O LEU A 15 5.649 -7.940 -2.882 1.00 7.79 O ATOM 241 CB LEU A 15 2.900 -6.943 -3.018 1.00 11.08 C ATOM 242 CG LEU A 15 1.491 -6.638 -2.481 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.271 -5.137 -2.518 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.354 -7.348 -3.214 1.00 15.27 C ATOM 0 H LEU A 15 3.838 -8.627 -1.036 1.00 8.29 H new ATOM 0 HA LEU A 15 2.694 -8.986 -3.721 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.617 -6.401 -2.402 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.970 -6.532 -4.025 1.00 11.08 H new ATOM 0 HG LEU A 15 1.459 -7.027 -1.463 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.275 -4.906 -2.140 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.019 -4.644 -1.896 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.361 -4.781 -3.544 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.599 -7.070 -2.763 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.358 -7.054 -4.264 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.490 -8.427 -3.139 1.00 15.27 H new ATOM 256 N GLU A 16 4.925 -8.637 -4.854 1.00 11.04 N ATOM 257 CA GLU A 16 6.122 -8.556 -5.621 1.00 11.50 C ATOM 258 C GLU A 16 6.236 -7.214 -6.283 1.00 10.13 C ATOM 259 O GLU A 16 5.657 -6.902 -7.329 1.00 9.83 O ATOM 260 CB GLU A 16 6.232 -9.707 -6.677 1.00 17.22 C ATOM 261 CG GLU A 16 7.555 -9.589 -7.482 1.00 23.33 C ATOM 262 CD GLU A 16 8.810 -9.793 -6.568 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.782 -10.708 -5.706 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.825 -9.073 -6.796 1.00 28.86 O ATOM 0 H GLU A 16 4.143 -8.976 -5.414 1.00 11.04 H new ATOM 0 HA GLU A 16 6.955 -8.679 -4.929 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.191 -10.673 -6.174 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.382 -9.665 -7.357 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.562 -10.331 -8.281 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.606 -8.609 -7.957 1.00 23.33 H new ATOM 271 N VAL A 17 7.013 -6.366 -5.660 1.00 8.99 N ATOM 272 CA VAL A 17 7.140 -4.957 -6.036 1.00 8.85 C ATOM 273 C VAL A 17 8.598 -4.650 -6.198 1.00 8.04 C ATOM 274 O VAL A 17 9.469 -5.465 -5.959 1.00 8.99 O ATOM 275 CB VAL A 17 6.570 -4.113 -4.889 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.039 -4.417 -4.718 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.287 -4.366 -3.563 1.00 10.54 C ATOM 0 H VAL A 17 7.591 -6.627 -4.861 1.00 8.99 H new ATOM 0 HA VAL A 17 6.608 -4.742 -6.963 1.00 8.85 H new ATOM 0 HB VAL A 17 6.725 -3.067 -5.152 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.638 -3.816 -3.902 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.514 -4.173 -5.641 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.901 -5.474 -4.491 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.844 -3.744 -2.785 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.185 -5.416 -3.289 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.343 -4.119 -3.668 1.00 10.54 H new ATOM 287 N GLU A 18 8.901 -3.443 -6.677 1.00 7.29 N ATOM 288 CA GLU A 18 10.187 -2.753 -6.885 1.00 7.08 C ATOM 289 C GLU A 18 10.152 -1.541 -6.013 1.00 6.45 C ATOM 290 O GLU A 18 9.127 -0.951 -5.812 1.00 5.28 O ATOM 291 CB GLU A 18 10.429 -2.500 -8.382 1.00 10.28 C ATOM 292 CG GLU A 18 10.703 -3.740 -9.123 1.00 12.65 C ATOM 293 CD GLU A 18 12.053 -4.309 -8.788 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.075 -3.642 -9.159 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.182 -5.479 -8.309 1.00 14.33 O ATOM 0 H GLU A 18 8.139 -2.833 -6.973 1.00 7.29 H new ATOM 0 HA GLU A 18 11.052 -3.348 -6.593 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.555 -2.009 -8.811 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.269 -1.816 -8.501 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.932 -4.476 -8.895 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.648 -3.542 -10.194 1.00 12.65 H new ATOM 302 N PRO A 19 11.246 -1.105 -5.396 1.00 7.24 N ATOM 303 CA PRO A 19 11.235 -0.010 -4.411 1.00 7.07 C ATOM 304 C PRO A 19 11.042 1.345 -5.127 1.00 6.65 C ATOM 305 O PRO A 19 10.823 2.390 -4.455 1.00 6.37 O ATOM 306 CB PRO A 19 12.683 -0.127 -3.810 1.00 7.61 C ATOM 307 CG PRO A 19 13.560 -0.784 -4.813 1.00 8.16 C ATOM 308 CD PRO A 19 12.562 -1.774 -5.472 1.00 7.49 C ATOM 0 HA PRO A 19 10.439 -0.069 -3.668 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.069 0.861 -3.559 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.664 -0.706 -2.887 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.971 -0.074 -5.530 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.404 -1.295 -4.351 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.839 -1.983 -6.505 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.549 -2.729 -4.946 1.00 7.49 H new ATOM 316 N SER A 20 11.143 1.386 -6.463 1.00 6.80 N ATOM 317 CA SER A 20 10.825 2.556 -7.232 1.00 6.28 C ATOM 318 C SER A 20 9.362 2.759 -7.469 1.00 8.45 C ATOM 319 O SER A 20 8.890 3.850 -7.741 1.00 7.26 O ATOM 320 CB SER A 20 11.570 2.718 -8.518 1.00 8.57 C ATOM 321 OG SER A 20 11.376 1.667 -9.441 1.00 11.13 O ATOM 0 H SER A 20 11.451 0.594 -7.026 1.00 6.80 H new ATOM 0 HA SER A 20 11.181 3.343 -6.566 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.266 3.655 -8.984 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.635 2.801 -8.299 1.00 8.57 H new ATOM 0 HG SER A 20 11.893 1.846 -10.254 1.00 11.13 H new ATOM 327 N ASP A 21 8.566 1.687 -7.244 1.00 7.50 N ATOM 328 CA ASP A 21 7.111 1.762 -7.299 1.00 7.70 C ATOM 329 C ASP A 21 6.562 2.881 -6.344 1.00 7.08 C ATOM 330 O ASP A 21 7.063 3.205 -5.257 1.00 8.11 O ATOM 331 CB ASP A 21 6.500 0.460 -6.957 1.00 11.00 C ATOM 332 CG ASP A 21 6.757 -0.553 -8.046 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.031 -0.230 -9.208 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.605 -1.794 -7.721 1.00 18.03 O ATOM 0 H ASP A 21 8.924 0.758 -7.022 1.00 7.50 H new ATOM 0 HA ASP A 21 6.837 2.018 -8.322 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.908 0.098 -6.013 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.426 0.583 -6.814 1.00 11.00 H new ATOM 339 N THR A 22 5.524 3.473 -6.858 1.00 5.37 N ATOM 340 CA THR A 22 4.773 4.453 -6.069 1.00 6.01 C ATOM 341 C THR A 22 3.731 3.726 -5.242 1.00 8.01 C ATOM 342 O THR A 22 3.329 2.592 -5.488 1.00 8.11 O ATOM 343 CB THR A 22 4.191 5.518 -6.990 1.00 8.92 C ATOM 344 OG1 THR A 22 3.448 4.994 -8.142 1.00 10.22 O ATOM 345 CG2 THR A 22 5.356 6.332 -7.570 1.00 9.65 C ATOM 0 H THR A 22 5.169 3.311 -7.800 1.00 5.37 H new ATOM 0 HA THR A 22 5.424 4.978 -5.370 1.00 6.01 H new ATOM 0 HB THR A 22 3.496 6.094 -6.379 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.108 5.740 -8.679 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.966 7.103 -8.234 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.912 6.800 -6.758 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.018 5.672 -8.130 1.00 9.65 H new ATOM 353 N ILE A 23 3.171 4.437 -4.236 1.00 8.32 N ATOM 354 CA ILE A 23 2.089 4.017 -3.258 1.00 9.92 C ATOM 355 C ILE A 23 0.869 3.645 -4.133 1.00 10.01 C ATOM 356 O ILE A 23 0.171 2.663 -3.800 1.00 8.71 O ATOM 357 CB ILE A 23 1.690 5.204 -2.369 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.844 5.762 -1.553 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.498 4.796 -1.417 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.754 4.779 -0.931 1.00 12.30 C ATOM 0 H ILE A 23 3.472 5.395 -4.056 1.00 8.32 H new ATOM 0 HA ILE A 23 2.428 3.200 -2.621 1.00 9.92 H new ATOM 0 HB ILE A 23 1.373 6.001 -3.042 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.435 6.411 -2.199 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.430 6.389 -0.764 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.224 5.646 -0.792 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.361 4.496 -2.017 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.806 3.964 -0.784 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.533 5.304 -0.378 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.191 4.142 -0.249 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.211 4.164 -1.707 1.00 12.30 H new ATOM 372 N GLU A 24 0.549 4.403 -5.252 1.00 9.54 N ATOM 373 CA GLU A 24 -0.452 4.045 -6.205 1.00 11.81 C ATOM 374 C GLU A 24 -0.138 2.790 -7.030 1.00 11.14 C ATOM 375 O GLU A 24 -1.043 2.057 -7.356 1.00 10.62 O ATOM 376 CB GLU A 24 -0.615 5.200 -7.278 1.00 19.24 C ATOM 377 CG GLU A 24 -1.705 4.963 -8.362 1.00 27.76 C ATOM 378 CD GLU A 24 -1.715 5.941 -9.448 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.055 6.992 -9.367 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.436 5.735 -10.531 1.00 36.51 O ATOM 0 H GLU A 24 1.016 5.283 -5.472 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.341 3.866 -5.599 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.845 6.128 -6.754 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.343 5.345 -7.777 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.563 3.970 -8.788 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.683 4.966 -7.880 1.00 27.76 H new ATOM 387 N ASN A 25 1.172 2.483 -7.373 1.00 9.43 N ATOM 388 CA ASN A 25 1.537 1.271 -8.073 1.00 10.96 C ATOM 389 C ASN A 25 1.244 0.098 -7.179 1.00 9.68 C ATOM 390 O ASN A 25 0.742 -0.960 -7.597 1.00 9.33 O ATOM 391 CB ASN A 25 3.045 1.214 -8.476 1.00 16.78 C ATOM 392 CG ASN A 25 3.482 2.287 -9.457 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.658 2.653 -9.423 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.594 2.796 -10.343 1.00 24.70 N ATOM 0 H ASN A 25 1.964 3.088 -7.156 1.00 9.43 H new ATOM 0 HA ASN A 25 0.955 1.247 -8.994 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.651 1.297 -7.574 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.254 0.237 -8.911 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.891 3.507 -11.012 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.628 2.469 -10.342 1.00 24.70 H new ATOM 401 N VAL A 26 1.474 0.256 -5.871 1.00 6.52 N ATOM 402 CA VAL A 26 1.207 -0.707 -4.828 1.00 5.53 C ATOM 403 C VAL A 26 -0.324 -0.943 -4.685 1.00 4.42 C ATOM 404 O VAL A 26 -0.783 -2.033 -4.815 1.00 3.40 O ATOM 405 CB VAL A 26 1.897 -0.369 -3.527 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.601 -1.388 -2.402 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.452 -0.266 -3.740 1.00 8.12 C ATOM 0 H VAL A 26 1.877 1.118 -5.503 1.00 6.52 H new ATOM 0 HA VAL A 26 1.648 -1.658 -5.125 1.00 5.53 H new ATOM 0 HB VAL A 26 1.496 0.594 -3.210 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.125 -1.090 -1.494 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.529 -1.416 -2.209 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.941 -2.377 -2.709 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.934 -0.022 -2.793 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.833 -1.219 -4.106 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.668 0.515 -4.469 1.00 8.12 H new ATOM 417 N LYS A 27 -1.140 0.181 -4.723 1.00 2.64 N ATOM 418 CA LYS A 27 -2.580 0.134 -4.748 1.00 4.14 C ATOM 419 C LYS A 27 -3.159 -0.614 -5.978 1.00 5.58 C ATOM 420 O LYS A 27 -4.018 -1.506 -5.880 1.00 4.11 O ATOM 421 CB LYS A 27 -3.340 1.517 -4.555 1.00 3.97 C ATOM 422 CG LYS A 27 -3.021 2.330 -3.348 1.00 7.45 C ATOM 423 CD LYS A 27 -3.706 3.725 -3.410 1.00 9.02 C ATOM 424 CE LYS A 27 -3.462 4.503 -2.175 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.238 5.776 -2.081 1.00 15.47 N ATOM 0 H LYS A 27 -0.768 1.131 -4.736 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.784 -0.445 -3.847 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.142 2.132 -5.433 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.410 1.311 -4.545 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.349 1.801 -2.453 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.941 2.456 -3.266 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.330 4.278 -4.270 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.779 3.599 -3.556 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.705 3.880 -1.314 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.399 4.735 -2.111 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.833 6.375 -1.333 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.192 6.279 -2.990 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.230 5.562 -1.854 1.00 15.47 H new ATOM 439 N ALA A 28 -2.618 -0.320 -7.195 1.00 6.61 N ATOM 440 CA ALA A 28 -2.918 -0.989 -8.457 1.00 7.74 C ATOM 441 C ALA A 28 -2.701 -2.531 -8.373 1.00 9.17 C ATOM 442 O ALA A 28 -3.545 -3.306 -8.762 1.00 11.45 O ATOM 443 CB ALA A 28 -2.093 -0.354 -9.531 1.00 7.68 C ATOM 0 H ALA A 28 -1.932 0.426 -7.308 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.975 -0.864 -8.693 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.301 -0.839 -10.485 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.340 0.705 -9.601 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.036 -0.465 -9.291 1.00 7.68 H new ATOM 449 N LYS A 29 -1.639 -2.978 -7.677 1.00 8.96 N ATOM 450 CA LYS A 29 -1.257 -4.345 -7.578 1.00 7.90 C ATOM 451 C LYS A 29 -2.103 -5.005 -6.498 1.00 6.92 C ATOM 452 O LYS A 29 -2.482 -6.139 -6.613 1.00 6.87 O ATOM 453 CB LYS A 29 0.234 -4.360 -7.174 1.00 10.28 C ATOM 454 CG LYS A 29 0.745 -5.823 -7.222 1.00 14.94 C ATOM 455 CD LYS A 29 2.284 -5.865 -7.115 1.00 19.69 C ATOM 456 CE LYS A 29 2.996 -5.139 -8.267 1.00 22.63 C ATOM 457 NZ LYS A 29 2.853 -5.923 -9.501 1.00 24.98 N ATOM 0 H LYS A 29 -1.021 -2.353 -7.161 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.403 -4.883 -8.515 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.816 -3.734 -7.851 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.359 -3.948 -6.172 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.303 -6.395 -6.407 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.427 -6.295 -8.152 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.587 -5.416 -6.169 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.611 -6.905 -7.093 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.570 -4.145 -8.403 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.051 -5.004 -8.029 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.391 -5.468 -10.266 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.218 -6.884 -9.346 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 1.849 -5.972 -9.766 1.00 24.98 H new ATOM 471 N ILE A 30 -2.500 -4.244 -5.446 1.00 4.57 N ATOM 472 CA ILE A 30 -3.496 -4.719 -4.463 1.00 5.58 C ATOM 473 C ILE A 30 -4.811 -4.878 -5.207 1.00 7.26 C ATOM 474 O ILE A 30 -5.418 -5.908 -5.189 1.00 9.46 O ATOM 475 CB ILE A 30 -3.545 -3.720 -3.322 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.254 -3.734 -2.477 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.807 -3.970 -2.430 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.121 -2.517 -1.486 1.00 2.00 C ATOM 0 H ILE A 30 -2.146 -3.306 -5.261 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.249 -5.683 -4.019 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.621 -2.725 -3.761 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.217 -4.661 -1.904 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.394 -3.739 -3.147 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.827 -3.245 -1.616 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.707 -3.862 -3.035 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.767 -4.978 -2.017 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.187 -2.601 -0.930 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.124 -1.585 -2.052 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.960 -2.521 -0.790 1.00 2.00 H new ATOM 490 N GLN A 31 -5.275 -3.953 -6.028 1.00 7.06 N ATOM 491 CA GLN A 31 -6.428 -4.059 -6.936 1.00 8.67 C ATOM 492 C GLN A 31 -6.352 -5.200 -7.947 1.00 10.90 C ATOM 493 O GLN A 31 -7.334 -5.850 -8.248 1.00 9.63 O ATOM 494 CB GLN A 31 -6.684 -2.702 -7.695 1.00 9.12 C ATOM 495 CG GLN A 31 -7.974 -2.830 -8.629 1.00 10.76 C ATOM 496 CD GLN A 31 -8.407 -1.534 -9.408 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.480 -0.976 -9.225 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.490 -1.085 -10.305 1.00 14.76 N ATOM 0 H GLN A 31 -4.831 -3.037 -6.090 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.266 -4.291 -6.278 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.825 -1.895 -6.976 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.813 -2.444 -8.298 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.791 -3.621 -9.357 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.812 -3.153 -8.011 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.608 -1.582 -10.425 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.684 -0.251 -10.859 1.00 14.76 H new ATOM 507 N ASP A 32 -5.211 -5.506 -8.462 1.00 10.93 N ATOM 508 CA ASP A 32 -4.867 -6.788 -9.164 1.00 14.01 C ATOM 509 C ASP A 32 -5.016 -8.039 -8.294 1.00 14.04 C ATOM 510 O ASP A 32 -5.460 -9.050 -8.823 1.00 13.39 O ATOM 511 CB ASP A 32 -3.466 -6.673 -9.824 1.00 18.01 C ATOM 512 CG ASP A 32 -3.364 -7.671 -10.911 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.052 -7.551 -11.965 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.536 -8.604 -10.809 1.00 26.29 O ATOM 0 H ASP A 32 -4.420 -4.863 -8.426 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.608 -6.931 -9.950 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.317 -5.668 -10.220 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.685 -6.842 -9.083 1.00 18.01 H new ATOM 519 N LYS A 33 -4.658 -8.071 -7.013 1.00 14.22 N ATOM 520 CA LYS A 33 -4.896 -9.191 -6.095 1.00 14.00 C ATOM 521 C LYS A 33 -6.297 -9.267 -5.584 1.00 12.37 C ATOM 522 O LYS A 33 -6.958 -10.290 -5.775 1.00 12.17 O ATOM 523 CB LYS A 33 -3.984 -9.157 -4.876 1.00 18.62 C ATOM 524 CG LYS A 33 -2.544 -9.533 -5.268 1.00 24.00 C ATOM 525 CD LYS A 33 -1.849 -10.536 -4.316 1.00 27.61 C ATOM 526 CE LYS A 33 -0.521 -10.995 -4.950 1.00 27.64 C ATOM 527 NZ LYS A 33 0.201 -12.049 -4.215 1.00 30.06 N ATOM 0 H LYS A 33 -4.176 -7.291 -6.566 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.685 -10.065 -6.711 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.998 -8.162 -4.432 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.353 -9.849 -4.119 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.555 -9.956 -6.272 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.946 -8.623 -5.312 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.663 -10.069 -3.349 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.496 -11.394 -4.136 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.725 -11.354 -5.959 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.134 -10.129 -5.046 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.783 -12.599 -4.879 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.814 -11.614 -3.496 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.483 -12.679 -3.750 1.00 30.06 H new ATOM 541 N GLU A 34 -6.846 -8.159 -5.083 1.00 10.11 N ATOM 542 CA GLU A 34 -8.107 -8.157 -4.332 1.00 10.07 C ATOM 543 C GLU A 34 -9.257 -7.429 -5.010 1.00 9.32 C ATOM 544 O GLU A 34 -10.384 -7.489 -4.504 1.00 11.61 O ATOM 545 CB GLU A 34 -7.787 -7.497 -2.987 1.00 14.77 C ATOM 546 CG GLU A 34 -6.817 -8.236 -2.080 1.00 18.75 C ATOM 547 CD GLU A 34 -7.410 -9.513 -1.553 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.452 -9.446 -0.830 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.832 -10.611 -1.841 1.00 25.19 O ATOM 0 H GLU A 34 -6.429 -7.234 -5.186 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.460 -9.184 -4.242 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.382 -6.504 -3.183 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.722 -7.358 -2.445 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.903 -8.459 -2.630 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.538 -7.593 -1.245 1.00 18.75 H new ATOM 556 N GLY A 35 -9.097 -6.759 -6.117 1.00 7.22 N ATOM 557 CA GLY A 35 -10.233 -6.056 -6.776 1.00 6.29 C ATOM 558 C GLY A 35 -10.615 -4.643 -6.286 1.00 6.93 C ATOM 559 O GLY A 35 -11.638 -4.115 -6.603 1.00 7.41 O ATOM 0 H GLY A 35 -8.205 -6.667 -6.604 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.006 -5.987 -7.840 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.115 -6.689 -6.678 1.00 6.29 H new ATOM 563 N ILE A 36 -9.847 -4.017 -5.374 1.00 5.86 N ATOM 564 CA ILE A 36 -10.255 -2.823 -4.652 1.00 6.07 C ATOM 565 C ILE A 36 -9.985 -1.571 -5.465 1.00 6.36 C ATOM 566 O ILE A 36 -8.814 -1.318 -5.735 1.00 6.18 O ATOM 567 CB ILE A 36 -9.576 -2.620 -3.310 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.644 -3.901 -2.449 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.279 -1.457 -2.541 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.801 -3.894 -1.170 1.00 9.49 C ATOM 0 H ILE A 36 -8.913 -4.341 -5.123 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.319 -2.985 -4.478 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.529 -2.378 -3.494 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.684 -4.076 -2.174 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.330 -4.745 -3.063 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.791 -1.311 -1.577 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.209 -0.540 -3.126 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.328 -1.707 -2.383 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.926 -4.842 -0.647 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.751 -3.757 -1.427 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.126 -3.078 -0.525 1.00 9.49 H new ATOM 582 N PRO A 37 -10.980 -0.659 -5.712 1.00 8.65 N ATOM 583 CA PRO A 37 -10.622 0.628 -6.251 1.00 9.18 C ATOM 584 C PRO A 37 -9.479 1.397 -5.601 1.00 9.85 C ATOM 585 O PRO A 37 -9.444 1.575 -4.393 1.00 8.51 O ATOM 586 CB PRO A 37 -11.955 1.397 -6.122 1.00 11.42 C ATOM 587 CG PRO A 37 -13.005 0.260 -6.265 1.00 9.27 C ATOM 588 CD PRO A 37 -12.419 -0.820 -5.486 1.00 8.33 C ATOM 0 HA PRO A 37 -10.212 0.504 -7.253 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.038 1.910 -5.164 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.066 2.153 -6.899 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.979 0.557 -5.876 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.152 -0.026 -7.306 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.672 -0.736 -4.429 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.772 -1.795 -5.822 1.00 8.33 H new ATOM 596 N PRO A 38 -8.523 1.920 -6.355 1.00 8.71 N ATOM 597 CA PRO A 38 -7.312 2.532 -5.799 1.00 9.08 C ATOM 598 C PRO A 38 -7.581 3.827 -5.206 1.00 9.28 C ATOM 599 O PRO A 38 -6.778 4.235 -4.353 1.00 6.50 O ATOM 600 CB PRO A 38 -6.289 2.549 -6.950 1.00 10.31 C ATOM 601 CG PRO A 38 -7.204 2.550 -8.184 1.00 10.81 C ATOM 602 CD PRO A 38 -8.224 1.532 -7.721 1.00 12.00 C ATOM 0 HA PRO A 38 -6.907 1.964 -4.962 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.649 3.431 -6.915 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.634 1.678 -6.928 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.644 3.528 -8.381 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.686 2.244 -9.093 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.118 1.552 -8.345 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.825 0.519 -7.768 1.00 12.00 H new ATOM 610 N ASP A 39 -8.698 4.484 -5.446 1.00 11.20 N ATOM 611 CA ASP A 39 -8.966 5.756 -4.668 1.00 14.96 C ATOM 612 C ASP A 39 -9.756 5.446 -3.392 1.00 13.99 C ATOM 613 O ASP A 39 -9.912 6.281 -2.495 1.00 13.75 O ATOM 614 CB ASP A 39 -9.842 6.631 -5.536 1.00 24.16 C ATOM 615 CG ASP A 39 -10.013 8.144 -5.381 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.092 8.971 -5.708 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.137 8.559 -4.833 1.00 35.55 O ATOM 0 H ASP A 39 -9.414 4.213 -6.119 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.021 6.233 -4.406 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.500 6.473 -6.559 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.845 6.210 -5.467 1.00 24.16 H new ATOM 622 N GLN A 40 -10.195 4.209 -3.190 1.00 11.60 N ATOM 623 CA GLN A 40 -10.812 3.776 -1.955 1.00 10.76 C ATOM 624 C GLN A 40 -9.832 3.301 -0.922 1.00 8.01 C ATOM 625 O GLN A 40 -10.082 3.497 0.241 1.00 8.96 O ATOM 626 CB GLN A 40 -11.945 2.698 -2.151 1.00 11.14 C ATOM 627 CG GLN A 40 -13.019 2.603 -0.993 1.00 14.85 C ATOM 628 CD GLN A 40 -14.042 1.548 -1.293 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.245 0.492 -0.657 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.838 1.809 -2.357 1.00 18.16 N ATOM 0 H GLN A 40 -10.129 3.473 -3.893 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.280 4.686 -1.579 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.465 2.912 -3.085 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.474 1.721 -2.264 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.523 2.375 -0.050 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.512 3.567 -0.869 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.701 2.662 -2.899 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.575 1.153 -2.616 1.00 18.16 H new ATOM 639 N GLN A 41 -8.686 2.716 -1.431 1.00 6.52 N ATOM 640 CA GLN A 41 -7.491 2.364 -0.710 1.00 3.87 C ATOM 641 C GLN A 41 -6.764 3.541 -0.109 1.00 4.79 C ATOM 642 O GLN A 41 -6.552 4.536 -0.770 1.00 6.34 O ATOM 643 CB GLN A 41 -6.572 1.530 -1.603 1.00 4.20 C ATOM 644 CG GLN A 41 -7.150 0.195 -2.171 1.00 3.20 C ATOM 645 CD GLN A 41 -6.060 -0.502 -2.983 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.946 -0.699 -2.498 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.270 -0.814 -4.295 1.00 7.13 N ATOM 0 H GLN A 41 -8.612 2.481 -2.421 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.806 1.767 0.146 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.265 2.150 -2.445 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.672 1.294 -1.035 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.485 -0.448 -1.358 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.019 0.395 -2.798 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.186 -0.658 -4.716 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.511 -1.203 -4.855 1.00 7.13 H new ATOM 656 N ARG A 42 -6.315 3.334 1.134 1.00 5.73 N ATOM 657 CA ARG A 42 -5.458 4.182 1.913 1.00 6.97 C ATOM 658 C ARG A 42 -4.468 3.362 2.520 1.00 7.15 C ATOM 659 O ARG A 42 -4.693 2.346 3.194 1.00 7.33 O ATOM 660 CB ARG A 42 -6.268 5.074 2.870 1.00 13.23 C ATOM 661 CG ARG A 42 -7.168 6.044 2.073 1.00 21.27 C ATOM 662 CD ARG A 42 -7.624 7.241 2.917 1.00 26.14 C ATOM 663 NE ARG A 42 -8.495 8.139 2.041 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.150 9.239 2.425 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.981 9.761 3.629 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.100 9.721 1.611 1.00 36.39 N ATOM 0 H ARG A 42 -6.574 2.492 1.648 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.932 4.906 1.290 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.881 4.454 3.524 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.591 5.640 3.510 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.626 6.404 1.199 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.043 5.507 1.706 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.184 6.901 3.788 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.762 7.794 3.289 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.586 7.871 1.061 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.338 9.323 4.289 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.493 10.601 3.897 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.303 9.250 0.730 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.619 10.559 1.873 1.00 36.39 H new ATOM 680 N LEU A 43 -3.190 3.702 2.418 1.00 4.65 N ATOM 681 CA LEU A 43 -1.970 2.866 2.875 1.00 3.51 C ATOM 682 C LEU A 43 -1.230 3.517 4.035 1.00 5.56 C ATOM 683 O LEU A 43 -1.206 4.764 4.104 1.00 4.19 O ATOM 684 CB LEU A 43 -1.050 2.409 1.670 1.00 3.74 C ATOM 685 CG LEU A 43 -1.789 1.610 0.523 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.735 1.220 -0.568 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.479 0.303 0.915 1.00 6.41 C ATOM 0 H LEU A 43 -2.910 4.592 2.006 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.355 1.930 3.280 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.585 3.293 1.233 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.246 1.787 2.064 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.574 2.292 0.198 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.227 0.667 -1.368 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.282 2.124 -0.976 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.039 0.597 -0.120 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.945 -0.141 0.035 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.742 -0.389 1.323 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.242 0.506 1.666 1.00 6.41 H new ATOM 699 N ILE A 44 -0.759 2.703 5.048 1.00 4.58 N ATOM 700 CA ILE A 44 -0.078 3.096 6.241 1.00 5.55 C ATOM 701 C ILE A 44 1.116 2.243 6.467 1.00 5.46 C ATOM 702 O ILE A 44 1.085 1.057 6.267 1.00 6.04 O ATOM 703 CB ILE A 44 -0.962 3.122 7.429 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.485 3.511 7.219 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.431 4.156 8.448 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.412 3.430 8.512 1.00 13.90 C ATOM 0 H ILE A 44 -0.878 1.691 5.002 1.00 4.58 H new ATOM 0 HA ILE A 44 0.255 4.124 6.094 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.939 2.080 7.749 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.529 4.528 6.828 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.904 2.857 6.454 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.083 4.174 9.322 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.578 3.880 8.754 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.414 5.144 7.988 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.430 3.718 8.249 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.411 2.410 8.897 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.030 4.107 9.276 1.00 13.90 H new ATOM 718 N PHE A 45 2.185 2.901 6.883 1.00 6.75 N ATOM 719 CA PHE A 45 3.455 2.343 7.249 1.00 4.70 C ATOM 720 C PHE A 45 3.876 2.925 8.605 1.00 6.34 C ATOM 721 O PHE A 45 4.254 4.068 8.801 1.00 5.45 O ATOM 722 CB PHE A 45 4.572 2.738 6.200 1.00 5.51 C ATOM 723 CG PHE A 45 5.886 2.118 6.571 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.112 0.895 7.234 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.999 2.863 6.197 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.452 0.456 7.508 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.336 2.460 6.472 1.00 6.64 C ATOM 728 CZ PHE A 45 8.507 1.227 7.190 1.00 6.84 C ATOM 0 H PHE A 45 2.176 3.917 6.977 1.00 6.75 H new ATOM 0 HA PHE A 45 3.354 1.258 7.286 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.276 2.408 5.204 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.674 3.822 6.160 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.274 0.285 7.537 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.841 3.793 5.672 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.614 -0.504 7.975 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.182 3.053 6.156 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.499 0.914 7.479 1.00 6.84 H new ATOM 738 N ALA A 46 3.759 2.098 9.689 1.00 6.53 N ATOM 739 CA ALA A 46 4.040 2.448 11.059 1.00 7.15 C ATOM 740 C ALA A 46 3.410 3.740 11.618 1.00 9.00 C ATOM 741 O ALA A 46 3.963 4.633 12.238 1.00 11.15 O ATOM 742 CB ALA A 46 5.597 2.463 11.199 1.00 8.99 C ATOM 0 H ALA A 46 3.450 1.131 9.593 1.00 6.53 H new ATOM 0 HA ALA A 46 3.552 1.696 11.679 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.868 2.724 12.222 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.993 1.476 10.959 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.017 3.199 10.514 1.00 8.99 H new ATOM 748 N GLY A 47 2.145 3.940 11.336 1.00 9.35 N ATOM 749 CA GLY A 47 1.406 5.137 11.716 1.00 11.68 C ATOM 750 C GLY A 47 1.552 6.193 10.641 1.00 11.14 C ATOM 751 O GLY A 47 0.761 7.059 10.560 1.00 13.93 O ATOM 0 H GLY A 47 1.580 3.263 10.823 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.353 4.895 11.860 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.778 5.519 12.667 1.00 11.68 H new ATOM 755 N LYS A 48 2.544 6.247 9.747 1.00 10.47 N ATOM 756 CA LYS A 48 2.699 7.272 8.716 1.00 8.82 C ATOM 757 C LYS A 48 1.827 6.956 7.527 1.00 7.68 C ATOM 758 O LYS A 48 1.837 5.831 7.086 1.00 6.47 O ATOM 759 CB LYS A 48 4.098 7.522 8.182 1.00 9.74 C ATOM 760 CG LYS A 48 5.167 8.135 9.114 1.00 14.14 C ATOM 761 CD LYS A 48 6.452 8.368 8.324 1.00 16.32 C ATOM 762 CE LYS A 48 7.499 9.008 9.247 1.00 20.04 C ATOM 763 NZ LYS A 48 8.680 9.357 8.498 1.00 23.92 N ATOM 0 H LYS A 48 3.288 5.550 9.723 1.00 10.47 H new ATOM 0 HA LYS A 48 2.410 8.180 9.246 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.486 6.569 7.822 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.005 8.177 7.315 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.807 9.076 9.530 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.359 7.468 9.954 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.826 7.424 7.928 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.256 9.017 7.470 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.083 9.898 9.718 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.759 8.316 10.048 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.380 9.789 9.135 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.085 8.500 8.069 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.429 10.034 7.749 1.00 23.92 H new ATOM 777 N GLN A 49 1.079 7.943 7.045 1.00 8.89 N ATOM 778 CA GLN A 49 0.094 7.917 5.931 1.00 7.18 C ATOM 779 C GLN A 49 0.808 8.072 4.651 1.00 8.23 C ATOM 780 O GLN A 49 1.601 9.010 4.473 1.00 9.70 O ATOM 781 CB GLN A 49 -0.989 8.974 6.069 1.00 11.67 C ATOM 782 CG GLN A 49 -1.657 8.815 7.473 1.00 15.82 C ATOM 783 CD GLN A 49 -2.788 9.874 7.671 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.442 10.977 8.153 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.064 9.556 7.487 1.00 20.67 N ATOM 0 H GLN A 49 1.141 8.876 7.452 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.417 6.955 5.965 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.562 9.971 5.963 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.733 8.860 5.280 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.071 7.811 7.573 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -0.905 8.929 8.254 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.312 8.649 7.092 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.797 10.219 7.741 1.00 20.67 H new ATOM 794 N LEU A 50 0.492 7.274 3.653 1.00 6.51 N ATOM 795 CA LEU A 50 1.343 7.197 2.468 1.00 7.41 C ATOM 796 C LEU A 50 0.791 7.865 1.224 1.00 8.27 C ATOM 797 O LEU A 50 -0.161 7.428 0.633 1.00 8.34 O ATOM 798 CB LEU A 50 1.713 5.702 2.183 1.00 7.13 C ATOM 799 CG LEU A 50 2.373 4.987 3.360 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.488 3.490 3.003 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.705 5.587 3.663 1.00 9.11 C ATOM 0 H LEU A 50 -0.333 6.675 3.630 1.00 6.51 H new ATOM 0 HA LEU A 50 2.235 7.776 2.708 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.808 5.162 1.905 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.384 5.662 1.325 1.00 7.13 H new ATOM 0 HG LEU A 50 1.770 5.099 4.261 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.957 2.954 3.828 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.494 3.081 2.824 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.095 3.376 2.105 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.157 5.063 4.505 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.351 5.498 2.790 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.581 6.640 3.916 1.00 9.11 H new ATOM 813 N GLU A 51 1.369 8.981 0.863 1.00 9.43 N ATOM 814 CA GLU A 51 0.952 9.773 -0.251 1.00 11.90 C ATOM 815 C GLU A 51 1.199 9.208 -1.684 1.00 11.49 C ATOM 816 O GLU A 51 2.337 9.011 -2.122 1.00 9.88 O ATOM 817 CB GLU A 51 1.508 11.203 -0.115 1.00 16.56 C ATOM 818 CG GLU A 51 0.809 11.951 1.038 1.00 26.06 C ATOM 819 CD GLU A 51 0.767 13.454 0.937 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.068 14.059 0.109 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.516 14.113 1.735 1.00 32.13 O ATOM 0 H GLU A 51 2.171 9.372 1.358 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.136 9.757 -0.183 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.582 11.165 0.067 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.362 11.746 -1.049 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.215 11.585 1.110 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.309 11.686 1.969 1.00 26.06 H new ATOM 828 N ASP A 52 0.109 8.951 -2.439 1.00 12.71 N ATOM 829 CA ASP A 52 -0.061 8.356 -3.784 1.00 16.56 C ATOM 830 C ASP A 52 1.118 8.562 -4.720 1.00 15.83 C ATOM 831 O ASP A 52 1.610 7.673 -5.367 1.00 17.21 O ATOM 832 CB ASP A 52 -1.351 8.881 -4.498 1.00 21.05 C ATOM 833 CG ASP A 52 -2.615 8.519 -3.765 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.202 7.423 -3.836 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.127 9.493 -3.114 1.00 25.82 O ATOM 0 H ASP A 52 -0.807 9.193 -2.062 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.142 7.288 -3.584 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.291 9.965 -4.595 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.393 8.473 -5.508 1.00 21.05 H new ATOM 840 N GLY A 53 1.639 9.828 -4.812 1.00 15.00 N ATOM 841 CA GLY A 53 2.845 10.152 -5.674 1.00 11.77 C ATOM 842 C GLY A 53 4.243 10.122 -5.189 1.00 11.10 C ATOM 843 O GLY A 53 5.176 10.546 -5.893 1.00 11.25 O ATOM 0 H GLY A 53 1.257 10.632 -4.313 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.803 9.470 -6.524 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.680 11.157 -6.063 1.00 11.77 H new ATOM 847 N ARG A 54 4.430 9.614 -3.958 1.00 8.53 N ATOM 848 CA ARG A 54 5.750 9.235 -3.463 1.00 9.05 C ATOM 849 C ARG A 54 6.087 7.799 -3.651 1.00 8.96 C ATOM 850 O ARG A 54 5.242 6.931 -3.826 1.00 11.60 O ATOM 851 CB ARG A 54 5.881 9.598 -1.983 1.00 7.97 C ATOM 852 CG ARG A 54 5.843 11.065 -1.741 1.00 9.62 C ATOM 853 CD ARG A 54 6.329 11.308 -0.330 1.00 12.20 C ATOM 854 NE ARG A 54 6.246 12.749 -0.120 1.00 18.23 N ATOM 855 CZ ARG A 54 7.237 13.608 -0.271 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.452 13.295 -0.741 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.968 14.879 -0.032 1.00 23.38 N ATOM 0 H ARG A 54 3.675 9.459 -3.290 1.00 8.53 H new ATOM 0 HA ARG A 54 6.462 9.798 -4.067 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.075 9.122 -1.425 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.817 9.195 -1.597 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.475 11.588 -2.459 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.831 11.448 -1.869 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.714 10.772 0.393 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.352 10.953 -0.203 1.00 12.20 H new ATOM 0 HE ARG A 54 5.343 13.126 0.169 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.662 12.334 -1.011 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.167 14.017 -0.828 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.029 15.156 0.255 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.699 15.583 -0.134 1.00 23.38 H new ATOM 871 N THR A 55 7.453 7.516 -3.748 1.00 9.05 N ATOM 872 CA THR A 55 7.971 6.166 -3.897 1.00 9.03 C ATOM 873 C THR A 55 8.005 5.439 -2.534 1.00 8.15 C ATOM 874 O THR A 55 7.991 5.987 -1.418 1.00 5.91 O ATOM 875 CB THR A 55 9.319 5.980 -4.618 1.00 11.15 C ATOM 876 OG1 THR A 55 10.392 6.710 -4.040 1.00 11.95 O ATOM 877 CG2 THR A 55 9.225 6.421 -6.079 1.00 11.71 C ATOM 0 H THR A 55 8.177 8.234 -3.721 1.00 9.05 H new ATOM 0 HA THR A 55 7.252 5.718 -4.583 1.00 9.03 H new ATOM 0 HB THR A 55 9.529 4.914 -4.525 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.162 6.117 -3.917 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.190 6.279 -6.565 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.470 5.825 -6.591 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.947 7.474 -6.124 1.00 11.71 H new ATOM 885 N LEU A 56 8.151 4.066 -2.654 1.00 6.91 N ATOM 886 CA LEU A 56 8.402 3.144 -1.609 1.00 8.29 C ATOM 887 C LEU A 56 9.696 3.491 -0.957 1.00 8.05 C ATOM 888 O LEU A 56 9.747 3.706 0.268 1.00 10.17 O ATOM 889 CB LEU A 56 8.382 1.633 -1.981 1.00 6.60 C ATOM 890 CG LEU A 56 6.994 1.003 -2.222 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.125 -0.379 -2.704 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.149 1.118 -0.962 1.00 8.64 C ATOM 0 H LEU A 56 8.082 3.604 -3.561 1.00 6.91 H new ATOM 0 HA LEU A 56 7.553 3.253 -0.934 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.981 1.495 -2.881 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.875 1.078 -1.183 1.00 6.60 H new ATOM 0 HG LEU A 56 6.475 1.550 -3.009 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.134 -0.803 -2.867 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.681 -0.386 -3.641 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.657 -0.974 -1.962 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.170 0.672 -1.138 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.644 0.596 -0.143 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.027 2.169 -0.701 1.00 8.64 H new ATOM 904 N SER A 57 10.729 3.759 -1.759 1.00 8.92 N ATOM 905 CA SER A 57 12.046 4.170 -1.306 1.00 9.00 C ATOM 906 C SER A 57 12.051 5.434 -0.562 1.00 9.44 C ATOM 907 O SER A 57 12.856 5.612 0.350 1.00 10.91 O ATOM 908 CB SER A 57 13.082 4.179 -2.490 1.00 10.32 C ATOM 909 OG SER A 57 12.757 5.074 -3.569 1.00 13.59 O ATOM 0 H SER A 57 10.662 3.692 -2.775 1.00 8.92 H new ATOM 0 HA SER A 57 12.363 3.415 -0.586 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.061 4.449 -2.095 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.166 3.168 -2.888 1.00 10.32 H new ATOM 0 HG SER A 57 13.450 5.019 -4.260 1.00 13.59 H new ATOM 915 N ASP A 58 11.114 6.378 -0.938 1.00 9.11 N ATOM 916 CA ASP A 58 11.133 7.650 -0.272 1.00 7.91 C ATOM 917 C ASP A 58 10.498 7.613 1.117 1.00 9.12 C ATOM 918 O ASP A 58 10.449 8.580 1.875 1.00 8.61 O ATOM 919 CB ASP A 58 10.451 8.655 -1.181 1.00 8.41 C ATOM 920 CG ASP A 58 10.651 10.065 -0.757 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.795 10.503 -0.470 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.637 10.783 -0.789 1.00 10.05 O ATOM 0 H ASP A 58 10.398 6.257 -1.655 1.00 9.11 H new ATOM 0 HA ASP A 58 12.168 7.942 -0.091 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.829 8.531 -2.196 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.383 8.440 -1.211 1.00 8.41 H new ATOM 927 N TYR A 59 10.003 6.385 1.444 1.00 7.97 N ATOM 928 CA TYR A 59 9.476 6.221 2.804 1.00 8.45 C ATOM 929 C TYR A 59 10.265 5.180 3.505 1.00 10.98 C ATOM 930 O TYR A 59 9.818 4.748 4.612 1.00 12.95 O ATOM 931 CB TYR A 59 8.011 5.827 2.687 1.00 7.94 C ATOM 932 CG TYR A 59 7.019 6.941 2.503 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.844 7.925 3.463 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.120 6.885 1.362 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.878 8.883 3.330 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.188 7.928 1.187 1.00 6.52 C ATOM 937 CZ TYR A 59 5.063 8.866 2.178 1.00 6.76 C ATOM 938 OH TYR A 59 3.993 9.802 2.053 1.00 7.63 O ATOM 0 H TYR A 59 9.963 5.567 0.836 1.00 7.97 H new ATOM 0 HA TYR A 59 9.554 7.143 3.380 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.910 5.141 1.846 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.736 5.273 3.585 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.483 7.935 4.333 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.165 6.062 0.664 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.741 9.637 4.091 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.586 7.986 0.292 1.00 6.52 H new ATOM 0 HH TYR A 59 4.222 10.626 2.531 1.00 7.63 H new ATOM 948 N ASN A 60 11.405 4.682 2.971 1.00 12.38 N ATOM 949 CA ASN A 60 12.264 3.672 3.470 1.00 13.94 C ATOM 950 C ASN A 60 11.444 2.371 3.723 1.00 14.16 C ATOM 951 O ASN A 60 11.620 1.737 4.764 1.00 14.26 O ATOM 952 CB ASN A 60 13.092 4.178 4.653 1.00 19.23 C ATOM 953 CG ASN A 60 14.216 3.210 5.100 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.139 2.803 4.323 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.306 2.822 6.394 1.00 24.09 N ATOM 0 H ASN A 60 11.751 5.043 2.082 1.00 12.38 H new ATOM 0 HA ASN A 60 13.017 3.406 2.728 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.538 5.137 4.387 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.427 4.359 5.497 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.083 2.236 6.698 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.596 3.116 7.065 1.00 24.09 H new ATOM 962 N ILE A 61 10.664 1.895 2.736 1.00 11.08 N ATOM 963 CA ILE A 61 9.929 0.619 2.684 1.00 11.78 C ATOM 964 C ILE A 61 10.631 -0.352 1.775 1.00 13.74 C ATOM 965 O ILE A 61 10.834 -0.140 0.582 1.00 14.60 O ATOM 966 CB ILE A 61 8.463 0.842 2.212 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.657 1.901 3.029 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.725 -0.510 2.047 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.536 2.522 2.225 1.00 11.42 C ATOM 0 H ILE A 61 10.520 2.438 1.884 1.00 11.08 H new ATOM 0 HA ILE A 61 9.902 0.200 3.690 1.00 11.78 H new ATOM 0 HB ILE A 61 8.532 1.304 1.227 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.243 1.429 3.920 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.334 2.685 3.369 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.702 -0.328 1.716 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.243 -1.119 1.306 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.710 -1.035 3.002 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.008 3.251 2.840 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.950 3.019 1.348 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.842 1.744 1.908 1.00 11.42 H new ATOM 981 N GLN A 62 11.138 -1.375 2.394 1.00 13.97 N ATOM 982 CA GLN A 62 12.170 -2.235 1.805 1.00 15.52 C ATOM 983 C GLN A 62 11.751 -3.711 1.721 1.00 13.94 C ATOM 984 O GLN A 62 10.592 -4.003 2.034 1.00 12.15 O ATOM 985 CB GLN A 62 13.418 -2.161 2.661 1.00 19.53 C ATOM 986 CG GLN A 62 14.023 -0.796 2.776 1.00 26.38 C ATOM 987 CD GLN A 62 15.299 -0.716 3.635 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.348 -0.937 4.870 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.457 -0.340 2.997 1.00 32.71 N ATOM 0 H GLN A 62 10.857 -1.656 3.333 1.00 13.97 H new ATOM 0 HA GLN A 62 12.340 -1.873 0.791 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.177 -2.521 3.661 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.165 -2.840 2.249 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.255 -0.433 1.775 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.278 -0.120 3.196 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.449 -0.153 1.994 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.324 -0.248 3.526 1.00 32.71 H new ATOM 998 N LYS A 63 12.654 -4.574 1.248 1.00 11.73 N ATOM 999 CA LYS A 63 12.319 -5.928 1.046 1.00 11.97 C ATOM 1000 C LYS A 63 11.854 -6.698 2.296 1.00 10.41 C ATOM 1001 O LYS A 63 12.405 -6.545 3.374 1.00 9.59 O ATOM 1002 CB LYS A 63 13.458 -6.757 0.324 1.00 13.73 C ATOM 1003 CG LYS A 63 14.699 -6.948 1.220 1.00 16.98 C ATOM 1004 CD LYS A 63 15.979 -7.240 0.444 1.00 20.19 C ATOM 1005 CE LYS A 63 15.970 -8.532 -0.380 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.128 -8.752 -1.247 1.00 25.97 N ATOM 0 H LYS A 63 13.614 -4.329 1.007 1.00 11.73 H new ATOM 0 HA LYS A 63 11.454 -5.845 0.388 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.067 -7.733 0.035 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.750 -6.246 -0.594 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.845 -6.049 1.819 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.512 -7.767 1.915 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.176 -6.403 -0.226 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.809 -7.285 1.149 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.890 -9.375 0.306 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.073 -8.538 -0.999 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.015 -9.653 -1.755 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.200 -7.974 -1.934 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.992 -8.786 -0.670 1.00 25.97 H new ATOM 1020 N GLU A 64 10.784 -7.504 2.197 1.00 10.04 N ATOM 1021 CA GLU A 64 10.132 -8.193 3.328 1.00 10.94 C ATOM 1022 C GLU A 64 9.744 -7.276 4.505 1.00 9.74 C ATOM 1023 O GLU A 64 9.968 -7.597 5.712 1.00 9.42 O ATOM 1024 CB GLU A 64 10.872 -9.470 3.755 1.00 18.31 C ATOM 1025 CG GLU A 64 11.266 -10.411 2.566 1.00 24.16 C ATOM 1026 CD GLU A 64 11.777 -11.759 2.983 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.942 -12.540 3.525 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.004 -12.034 2.935 1.00 31.72 O ATOM 0 H GLU A 64 10.334 -7.701 1.303 1.00 10.04 H new ATOM 0 HA GLU A 64 9.171 -8.523 2.934 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.775 -9.189 4.296 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.243 -10.026 4.451 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.396 -10.549 1.924 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.030 -9.917 1.966 1.00 24.16 H new ATOM 1035 N SER A 65 9.089 -6.113 4.209 1.00 6.85 N ATOM 1036 CA SER A 65 8.621 -5.117 5.206 1.00 6.90 C ATOM 1037 C SER A 65 7.108 -5.201 5.138 1.00 4.72 C ATOM 1038 O SER A 65 6.558 -5.802 4.217 1.00 3.91 O ATOM 1039 CB SER A 65 9.087 -3.661 4.830 1.00 7.28 C ATOM 1040 OG SER A 65 8.823 -2.778 5.873 1.00 10.56 O ATOM 0 H SER A 65 8.871 -5.843 3.250 1.00 6.85 H new ATOM 0 HA SER A 65 9.022 -5.323 6.198 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.154 -3.661 4.607 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.573 -3.330 3.927 1.00 7.28 H new ATOM 0 HG SER A 65 9.120 -1.878 5.623 1.00 10.56 H new ATOM 1046 N THR A 66 6.415 -4.696 6.147 1.00 4.48 N ATOM 1047 CA THR A 66 4.948 -4.878 6.306 1.00 3.80 C ATOM 1048 C THR A 66 4.300 -3.518 6.356 1.00 4.60 C ATOM 1049 O THR A 66 4.872 -2.635 6.951 1.00 5.33 O ATOM 1050 CB THR A 66 4.697 -5.500 7.674 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.447 -6.689 7.790 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.273 -5.894 7.856 1.00 3.40 C ATOM 0 H THR A 66 6.840 -4.143 6.891 1.00 4.48 H new ATOM 0 HA THR A 66 4.560 -5.488 5.490 1.00 3.80 H new ATOM 0 HB THR A 66 4.975 -4.752 8.416 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.289 -7.091 8.670 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.140 -6.333 8.845 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.637 -5.014 7.761 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.997 -6.624 7.095 1.00 3.40 H new ATOM 1060 N LEU A 67 3.144 -3.315 5.724 1.00 4.17 N ATOM 1061 CA LEU A 67 2.324 -2.122 5.738 1.00 3.85 C ATOM 1062 C LEU A 67 0.912 -2.493 6.007 1.00 3.80 C ATOM 1063 O LEU A 67 0.425 -3.595 5.910 1.00 5.54 O ATOM 1064 CB LEU A 67 2.314 -1.553 4.244 1.00 7.18 C ATOM 1065 CG LEU A 67 3.730 -1.303 3.600 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.605 -1.045 2.139 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.535 -0.198 4.238 1.00 11.66 C ATOM 0 H LEU A 67 2.731 -4.045 5.144 1.00 4.17 H new ATOM 0 HA LEU A 67 2.705 -1.422 6.482 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.766 -2.252 3.612 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.760 -0.614 4.236 1.00 7.18 H new ATOM 0 HG LEU A 67 4.284 -2.224 3.784 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.594 -0.875 1.714 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.145 -1.907 1.655 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.984 -0.164 1.977 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.492 -0.103 3.726 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.988 0.742 4.162 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.707 -0.433 5.288 1.00 11.66 H new ATOM 1079 N HIS A 68 0.095 -1.583 6.502 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.319 -1.729 6.816 1.00 4.17 C ATOM 1081 C HIS A 68 -2.210 -1.029 5.736 1.00 5.32 C ATOM 1082 O HIS A 68 -1.772 0.000 5.211 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.638 -1.253 8.213 1.00 5.57 C ATOM 1084 CG HIS A 68 -3.011 -1.640 8.614 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -4.072 -0.755 8.815 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.486 -2.900 8.746 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -5.127 -1.520 9.090 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.842 -2.820 9.039 1.00 16.30 N ATOM 0 H HIS A 68 0.429 -0.643 6.714 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.554 -2.793 6.792 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.919 -1.674 8.916 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.534 -0.169 8.263 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -4.045 0.263 8.762 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.912 -3.809 8.642 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -6.105 -1.129 9.328 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.399 -1.602 5.416 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.269 -1.128 4.363 1.00 3.97 C ATOM 1098 C LEU A 69 -5.592 -0.772 5.010 1.00 5.07 C ATOM 1099 O LEU A 69 -6.147 -1.542 5.825 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.472 -2.168 3.204 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.351 -1.893 1.976 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.237 -3.111 1.126 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.867 -1.650 2.320 1.00 9.96 C ATOM 0 H LEU A 69 -3.766 -2.419 5.904 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.810 -0.263 3.885 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.478 -2.407 2.825 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.863 -3.074 3.667 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.010 -0.979 1.490 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.841 -2.986 0.228 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.195 -3.262 0.844 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.591 -3.978 1.683 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.423 -1.463 1.401 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.273 -2.531 2.817 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.957 -0.788 2.981 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.210 0.415 4.728 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.425 0.889 5.352 1.00 6.26 C ATOM 1117 C VAL A 70 -8.246 1.480 4.279 1.00 9.22 C ATOM 1118 O VAL A 70 -7.773 1.974 3.288 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.376 1.865 6.484 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.690 1.075 7.600 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.656 3.134 6.160 1.00 8.54 C ATOM 0 H VAL A 70 -5.842 1.067 4.035 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.813 -0.002 5.846 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.371 2.220 6.755 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.601 1.701 8.488 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.282 0.191 7.837 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.697 0.768 7.271 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.664 3.789 7.031 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.626 2.908 5.885 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.153 3.632 5.327 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.548 1.549 4.501 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.500 1.917 3.464 1.00 16.06 C ATOM 1133 C LEU A 71 -11.258 3.109 3.840 1.00 18.09 C ATOM 1134 O LEU A 71 -11.687 3.351 4.944 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.405 0.738 3.183 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.744 -0.467 2.484 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.668 -1.685 2.243 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.180 -0.106 1.114 1.00 19.57 C ATOM 0 H LEU A 71 -9.976 1.351 5.406 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.961 2.170 2.551 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.830 0.397 4.127 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.235 1.081 2.566 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.966 -0.741 3.197 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.106 -2.476 1.747 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.043 -2.052 3.198 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.507 -1.387 1.614 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.726 -0.988 0.664 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.984 0.255 0.473 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.426 0.674 1.225 1.00 19.57 H new