USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 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 7 THR OG1 : rot -62:sc= 0.88 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 172:sc=-0.00592 (180deg=-0.149) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 2.37 (180deg=2.26) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 1.24 (180deg=0.879) USER MOD Single : A 14 THR OG1 : rot -86:sc= 0.0945 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00202 USER MOD Single : A 25 ASN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 1.26 (180deg=0.886) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.455 K(o=-0.45,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 41 GLN : amide:sc= 0.0725 K(o=0.073,f=-4!) 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 55 THR OG1 : rot -88:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.263 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=-0.0054) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 140:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.221 K(o=-0.22,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.683 -6.901 -4.349 1.00 9.67 N ATOM 2 CA MET A 1 11.594 -7.356 -2.989 1.00 10.38 C ATOM 3 C MET A 1 10.155 -7.597 -2.555 1.00 9.62 C ATOM 4 O MET A 1 9.231 -7.078 -3.143 1.00 9.62 O ATOM 5 CB MET A 1 12.229 -6.224 -2.027 1.00 13.77 C ATOM 6 CG MET A 1 11.407 -4.945 -1.924 1.00 16.29 C ATOM 7 SD MET A 1 12.343 -3.703 -1.116 1.00 17.17 S ATOM 8 CE MET A 1 11.067 -2.399 -0.858 1.00 16.11 C ATOM 0 H1 MET A 1 12.571 -6.376 -4.482 1.00 9.67 H new ATOM 0 H2 MET A 1 11.665 -7.719 -4.991 1.00 9.67 H new ATOM 0 H3 MET A 1 10.877 -6.278 -4.560 1.00 9.67 H new ATOM 0 HA MET A 1 12.133 -8.301 -2.916 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.353 -6.642 -1.028 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.225 -5.972 -2.392 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.118 -4.606 -2.919 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.487 -5.137 -1.372 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.517 -1.544 -0.353 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.670 -2.083 -1.823 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.258 -2.798 -0.246 1.00 16.11 H new ATOM 20 N GLN A 2 9.907 -8.467 -1.565 1.00 9.27 N ATOM 21 CA GLN A 2 8.586 -8.647 -0.947 1.00 9.07 C ATOM 22 C GLN A 2 8.179 -7.586 0.110 1.00 8.72 C ATOM 23 O GLN A 2 8.991 -7.066 0.907 1.00 8.22 O ATOM 24 CB GLN A 2 8.401 -10.072 -0.351 1.00 14.46 C ATOM 25 CG GLN A 2 8.667 -11.167 -1.405 1.00 17.01 C ATOM 26 CD GLN A 2 8.593 -12.528 -0.636 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.277 -12.793 0.373 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.773 -13.480 -1.193 1.00 19.49 N ATOM 0 H GLN A 2 10.626 -9.072 -1.167 1.00 9.27 H new ATOM 0 HA GLN A 2 7.909 -8.503 -1.789 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.079 -10.205 0.492 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.387 -10.177 0.035 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.926 -11.129 -2.204 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.644 -11.033 -1.870 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.217 -13.255 -2.018 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.720 -14.412 -0.781 1.00 19.49 H new ATOM 37 N ILE A 3 6.890 -7.289 0.220 1.00 5.87 N ATOM 38 CA ILE A 3 6.279 -6.526 1.284 1.00 5.07 C ATOM 39 C ILE A 3 5.022 -7.275 1.503 1.00 4.01 C ATOM 40 O ILE A 3 4.590 -8.105 0.703 1.00 4.61 O ATOM 41 CB ILE A 3 5.959 -5.051 0.908 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.207 -4.912 -0.456 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.348 -4.321 0.926 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.595 -3.533 -0.529 1.00 10.83 C ATOM 0 H ILE A 3 6.210 -7.596 -0.475 1.00 5.87 H new ATOM 0 HA ILE A 3 6.937 -6.436 2.148 1.00 5.07 H new ATOM 0 HB ILE A 3 5.262 -4.601 1.615 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.897 -5.064 -1.286 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.433 -5.675 -0.541 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.210 -3.270 0.670 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.786 -4.398 1.921 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.013 -4.787 0.199 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.066 -3.419 -1.475 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.895 -3.401 0.296 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.382 -2.782 -0.461 1.00 10.83 H new ATOM 56 N PHE A 4 4.353 -6.945 2.581 1.00 4.55 N ATOM 57 CA PHE A 4 3.266 -7.735 3.129 1.00 4.68 C ATOM 58 C PHE A 4 2.141 -6.783 3.529 1.00 5.30 C ATOM 59 O PHE A 4 2.443 -5.936 4.284 1.00 5.58 O ATOM 60 CB PHE A 4 3.632 -8.549 4.444 1.00 4.83 C ATOM 61 CG PHE A 4 4.768 -9.503 4.146 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.635 -10.536 3.299 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.972 -9.307 4.858 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.706 -11.445 3.102 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.030 -10.128 4.638 1.00 10.61 C ATOM 66 CZ PHE A 4 6.929 -11.277 3.801 1.00 8.90 C ATOM 0 H PHE A 4 4.550 -6.100 3.118 1.00 4.55 H new ATOM 0 HA PHE A 4 3.001 -8.451 2.351 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.918 -7.863 5.241 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.761 -9.102 4.797 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.707 -10.676 2.764 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.051 -8.505 5.577 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.590 -12.270 2.415 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.975 -9.904 5.111 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.741 -11.983 3.704 1.00 8.90 H new ATOM 76 N VAL A 5 0.929 -6.922 3.018 1.00 4.44 N ATOM 77 CA VAL A 5 -0.092 -5.949 3.274 1.00 3.87 C ATOM 78 C VAL A 5 -1.133 -6.638 4.177 1.00 4.93 C ATOM 79 O VAL A 5 -1.679 -7.721 3.859 1.00 6.84 O ATOM 80 CB VAL A 5 -0.723 -5.401 2.024 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.728 -4.303 2.488 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.411 -4.758 1.170 1.00 9.13 C ATOM 0 H VAL A 5 0.639 -7.701 2.426 1.00 4.44 H new ATOM 0 HA VAL A 5 0.347 -5.077 3.759 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.233 -6.164 1.435 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.219 -3.868 1.617 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.478 -4.749 3.142 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.191 -3.524 3.029 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.012 -4.349 0.252 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.886 -3.959 1.739 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.153 -5.516 0.921 1.00 9.13 H new ATOM 92 N LYS A 6 -1.443 -6.013 5.387 1.00 6.04 N ATOM 93 CA LYS A 6 -2.364 -6.530 6.388 1.00 6.12 C ATOM 94 C LYS A 6 -3.598 -5.655 6.350 1.00 6.57 C ATOM 95 O LYS A 6 -3.495 -4.437 6.172 1.00 5.76 O ATOM 96 CB LYS A 6 -1.828 -6.548 7.864 1.00 7.45 C ATOM 97 CG LYS A 6 -0.608 -7.452 8.081 1.00 11.12 C ATOM 98 CD LYS A 6 -0.154 -7.584 9.506 1.00 14.54 C ATOM 99 CE LYS A 6 -1.120 -8.440 10.352 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.275 -9.845 9.908 1.00 20.55 N ATOM 0 H LYS A 6 -1.029 -5.121 5.657 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.544 -7.574 6.131 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.568 -5.531 8.156 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.630 -6.875 8.526 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.839 -8.446 7.697 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.220 -7.066 7.487 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.839 -8.032 9.528 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.067 -6.593 9.950 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.771 -8.439 11.385 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.101 -7.964 10.347 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.832 -10.372 10.611 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.765 -9.867 8.991 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.337 -10.284 9.810 1.00 20.55 H new ATOM 114 N THR A 7 -4.778 -6.207 6.488 1.00 7.41 N ATOM 115 CA THR A 7 -6.090 -5.549 6.404 1.00 7.48 C ATOM 116 C THR A 7 -6.825 -5.556 7.754 1.00 8.75 C ATOM 117 O THR A 7 -6.529 -6.269 8.734 1.00 8.58 O ATOM 118 CB THR A 7 -6.910 -6.085 5.271 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.234 -7.466 5.374 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.168 -5.855 3.878 1.00 9.17 C ATOM 0 H THR A 7 -4.870 -7.205 6.677 1.00 7.41 H new ATOM 0 HA THR A 7 -5.917 -4.498 6.172 1.00 7.48 H new ATOM 0 HB THR A 7 -7.845 -5.527 5.324 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.410 -7.997 5.369 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.781 -6.252 3.069 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.009 -4.788 3.723 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.206 -6.368 3.889 1.00 9.17 H new ATOM 128 N LEU A 8 -7.893 -4.704 7.783 1.00 9.84 N ATOM 129 CA LEU A 8 -8.786 -4.572 8.951 1.00 14.15 C ATOM 130 C LEU A 8 -9.827 -5.631 8.946 1.00 17.37 C ATOM 131 O LEU A 8 -10.756 -5.501 9.719 1.00 17.01 O ATOM 132 CB LEU A 8 -9.294 -3.110 9.098 1.00 16.63 C ATOM 133 CG LEU A 8 -8.264 -1.978 9.299 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.051 -0.711 9.346 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.458 -2.253 10.606 1.00 18.59 C ATOM 0 H LEU A 8 -8.148 -4.101 7.001 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.230 -4.753 9.871 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.875 -2.872 8.207 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.982 -3.084 9.943 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.529 -1.912 8.497 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.375 0.132 9.487 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.596 -0.586 8.410 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.758 -0.752 10.175 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.727 -1.458 10.757 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.141 -2.284 11.455 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.942 -3.209 10.521 1.00 18.59 H new ATOM 147 N THR A 9 -9.673 -6.698 8.130 1.00 18.33 N ATOM 148 CA THR A 9 -10.448 -7.954 8.296 1.00 19.24 C ATOM 149 C THR A 9 -9.620 -9.173 8.553 1.00 19.48 C ATOM 150 O THR A 9 -10.070 -10.303 8.482 1.00 23.14 O ATOM 151 CB THR A 9 -11.212 -8.276 7.046 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.402 -8.412 5.950 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.317 -7.200 6.756 1.00 19.70 C ATOM 0 H THR A 9 -9.019 -6.717 7.348 1.00 18.33 H new ATOM 0 HA THR A 9 -11.080 -7.749 9.160 1.00 19.24 H new ATOM 0 HB THR A 9 -11.689 -9.239 7.228 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.948 -8.623 5.164 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.851 -7.464 5.843 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.018 -7.165 7.590 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.850 -6.223 6.633 1.00 19.70 H new ATOM 161 N GLY A 10 -8.313 -8.882 8.851 1.00 19.43 N ATOM 162 CA GLY A 10 -7.406 -9.985 9.196 1.00 18.74 C ATOM 163 C GLY A 10 -6.715 -10.608 8.068 1.00 17.62 C ATOM 164 O GLY A 10 -5.766 -11.374 8.296 1.00 19.74 O ATOM 0 H GLY A 10 -7.900 -7.949 8.856 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.659 -9.612 9.896 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.977 -10.752 9.718 1.00 18.74 H new ATOM 168 N LYS A 11 -7.056 -10.179 6.787 1.00 13.56 N ATOM 169 CA LYS A 11 -6.395 -10.773 5.614 1.00 11.91 C ATOM 170 C LYS A 11 -4.968 -10.174 5.316 1.00 10.18 C ATOM 171 O LYS A 11 -4.798 -8.944 5.406 1.00 9.10 O ATOM 172 CB LYS A 11 -7.302 -10.680 4.372 1.00 13.43 C ATOM 173 CG LYS A 11 -6.848 -11.403 3.107 1.00 16.69 C ATOM 174 CD LYS A 11 -7.962 -11.417 2.051 1.00 17.92 C ATOM 175 CE LYS A 11 -7.606 -12.323 0.820 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.582 -12.115 -0.211 1.00 21.93 N ATOM 0 H LYS A 11 -7.750 -9.461 6.578 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.230 -11.822 5.860 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.284 -11.065 4.644 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.430 -9.625 4.128 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.963 -10.912 2.701 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.561 -12.426 3.352 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.886 -11.773 2.506 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.147 -10.399 1.708 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.610 -12.081 0.450 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.589 -13.372 1.117 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.273 -12.591 -1.082 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.496 -12.507 0.092 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.685 -11.096 -0.391 1.00 21.93 H new ATOM 190 N THR A 12 -4.027 -11.063 5.019 1.00 9.63 N ATOM 191 CA THR A 12 -2.644 -10.723 4.743 1.00 9.85 C ATOM 192 C THR A 12 -2.159 -11.203 3.372 1.00 11.66 C ATOM 193 O THR A 12 -2.217 -12.408 3.082 1.00 12.33 O ATOM 194 CB THR A 12 -1.682 -11.392 5.671 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.956 -11.095 7.048 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.262 -10.848 5.372 1.00 9.63 C ATOM 0 H THR A 12 -4.214 -12.064 4.963 1.00 9.63 H new ATOM 0 HA THR A 12 -2.652 -9.637 4.835 1.00 9.85 H new ATOM 0 HB THR A 12 -1.769 -12.467 5.515 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.304 -11.554 7.618 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.458 -11.323 6.039 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.002 -11.068 4.337 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.245 -9.770 5.529 1.00 9.63 H new ATOM 204 N ILE A 13 -1.617 -10.285 2.510 1.00 10.42 N ATOM 205 CA ILE A 13 -1.220 -10.527 1.096 1.00 11.84 C ATOM 206 C ILE A 13 0.268 -10.137 0.883 1.00 10.55 C ATOM 207 O ILE A 13 0.738 -9.156 1.494 1.00 11.92 O ATOM 208 CB ILE A 13 -2.108 -9.923 0.032 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.345 -8.349 0.194 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.536 -10.543 0.053 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.159 -7.735 -0.930 1.00 16.46 C ATOM 0 H ILE A 13 -1.441 -9.323 2.799 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.357 -11.599 0.952 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.569 -10.133 -0.892 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.851 -8.163 1.141 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.378 -7.848 0.246 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.144 -10.083 -0.726 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.469 -11.616 -0.125 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.996 -10.364 1.025 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.278 -6.666 -0.751 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.644 -7.889 -1.878 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.140 -8.208 -0.969 1.00 16.46 H new ATOM 223 N THR A 14 0.991 -10.905 -0.031 1.00 9.39 N ATOM 224 CA THR A 14 2.372 -10.768 -0.331 1.00 9.63 C ATOM 225 C THR A 14 2.465 -10.150 -1.743 1.00 11.20 C ATOM 226 O THR A 14 1.839 -10.642 -2.659 1.00 11.63 O ATOM 227 CB THR A 14 3.055 -12.095 -0.200 1.00 10.38 C ATOM 228 OG1 THR A 14 2.917 -12.680 1.116 1.00 16.30 O ATOM 229 CG2 THR A 14 4.558 -11.935 -0.506 1.00 11.66 C ATOM 0 H THR A 14 0.551 -11.651 -0.569 1.00 9.39 H new ATOM 0 HA THR A 14 2.889 -10.109 0.366 1.00 9.63 H new ATOM 0 HB THR A 14 2.571 -12.763 -0.912 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.624 -12.337 1.702 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.054 -12.901 -0.410 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.685 -11.561 -1.522 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.000 -11.229 0.198 1.00 11.66 H new ATOM 237 N LEU A 15 3.155 -9.016 -1.894 1.00 8.29 N ATOM 238 CA LEU A 15 3.327 -8.316 -3.148 1.00 9.03 C ATOM 239 C LEU A 15 4.822 -8.180 -3.430 1.00 8.59 C ATOM 240 O LEU A 15 5.543 -7.852 -2.499 1.00 7.79 O ATOM 241 CB LEU A 15 2.676 -6.846 -3.078 1.00 11.08 C ATOM 242 CG LEU A 15 1.207 -6.671 -2.671 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.759 -5.197 -2.572 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.310 -7.457 -3.680 1.00 15.27 C ATOM 0 H LEU A 15 3.621 -8.553 -1.114 1.00 8.29 H new ATOM 0 HA LEU A 15 2.831 -8.880 -3.938 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.276 -6.260 -2.382 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.795 -6.393 -4.062 1.00 11.08 H new ATOM 0 HG LEU A 15 1.096 -7.073 -1.664 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.290 -5.154 -2.280 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.365 -4.682 -1.826 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.886 -4.712 -3.540 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.738 -7.341 -3.402 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.464 -7.065 -4.685 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.577 -8.514 -3.657 1.00 15.27 H new ATOM 256 N GLU A 16 5.268 -8.408 -4.692 1.00 11.04 N ATOM 257 CA GLU A 16 6.578 -8.087 -5.205 1.00 11.50 C ATOM 258 C GLU A 16 6.675 -6.711 -5.819 1.00 10.13 C ATOM 259 O GLU A 16 5.984 -6.346 -6.762 1.00 9.83 O ATOM 260 CB GLU A 16 7.003 -9.093 -6.286 1.00 17.22 C ATOM 261 CG GLU A 16 8.449 -8.945 -6.774 1.00 23.33 C ATOM 262 CD GLU A 16 9.526 -9.268 -5.753 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.273 -10.065 -4.829 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.637 -8.759 -5.914 1.00 28.90 O ATOM 0 H GLU A 16 4.674 -8.844 -5.397 1.00 11.04 H new ATOM 0 HA GLU A 16 7.232 -8.126 -4.334 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.868 -10.102 -5.896 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.334 -8.990 -7.141 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.589 -9.593 -7.639 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.594 -7.920 -7.116 1.00 23.33 H new ATOM 271 N VAL A 17 7.506 -5.914 -5.176 1.00 8.99 N ATOM 272 CA VAL A 17 7.687 -4.503 -5.435 1.00 8.85 C ATOM 273 C VAL A 17 9.135 -4.229 -5.530 1.00 8.04 C ATOM 274 O VAL A 17 9.946 -5.080 -5.113 1.00 8.99 O ATOM 275 CB VAL A 17 7.043 -3.749 -4.323 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.546 -4.015 -4.109 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.892 -3.954 -2.980 1.00 10.54 C ATOM 0 H VAL A 17 8.102 -6.253 -4.421 1.00 8.99 H new ATOM 0 HA VAL A 17 7.226 -4.193 -6.373 1.00 8.85 H new ATOM 0 HB VAL A 17 7.060 -2.701 -4.623 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.185 -3.413 -3.275 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.997 -3.750 -5.012 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.392 -5.071 -3.887 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.422 -3.403 -2.165 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.926 -5.014 -2.729 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.906 -3.584 -3.131 1.00 10.54 H new ATOM 287 N GLU A 18 9.593 -3.001 -5.966 1.00 7.29 N ATOM 288 CA GLU A 18 11.004 -2.628 -5.884 1.00 7.08 C ATOM 289 C GLU A 18 11.061 -1.179 -5.331 1.00 6.45 C ATOM 290 O GLU A 18 10.010 -0.529 -5.531 1.00 5.28 O ATOM 291 CB GLU A 18 11.748 -2.761 -7.215 1.00 10.28 C ATOM 292 CG GLU A 18 11.993 -4.182 -7.667 1.00 12.65 C ATOM 293 CD GLU A 18 12.785 -4.236 -8.960 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.189 -4.236 -10.074 1.00 14.33 O ATOM 295 OE2 GLU A 18 14.002 -4.489 -8.805 1.00 18.17 O ATOM 0 H GLU A 18 8.992 -2.282 -6.368 1.00 7.29 H new ATOM 0 HA GLU A 18 11.521 -3.319 -5.219 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.178 -2.243 -7.986 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.708 -2.251 -7.131 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.531 -4.723 -6.889 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.038 -4.689 -7.805 1.00 12.65 H new ATOM 302 N PRO A 19 12.195 -0.722 -4.682 1.00 7.24 N ATOM 303 CA PRO A 19 12.218 0.499 -3.868 1.00 7.07 C ATOM 304 C PRO A 19 11.845 1.741 -4.616 1.00 6.65 C ATOM 305 O PRO A 19 11.264 2.630 -4.010 1.00 6.37 O ATOM 306 CB PRO A 19 13.602 0.542 -3.338 1.00 7.61 C ATOM 307 CG PRO A 19 13.972 -0.934 -3.198 1.00 8.16 C ATOM 308 CD PRO A 19 13.295 -1.579 -4.375 1.00 7.49 C ATOM 0 HA PRO A 19 11.464 0.469 -3.082 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.277 1.063 -4.017 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.650 1.061 -2.381 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.052 -1.081 -3.226 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.618 -1.349 -2.254 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.975 -1.667 -5.222 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.955 -2.586 -4.132 1.00 7.49 H new ATOM 316 N SER A 20 12.016 1.771 -5.954 1.00 6.80 N ATOM 317 CA SER A 20 11.574 3.007 -6.652 1.00 6.28 C ATOM 318 C SER A 20 10.110 2.970 -7.139 1.00 8.45 C ATOM 319 O SER A 20 9.680 3.933 -7.775 1.00 7.26 O ATOM 320 CB SER A 20 12.385 3.353 -7.886 1.00 8.57 C ATOM 321 OG SER A 20 13.818 3.421 -7.637 1.00 11.13 O ATOM 0 H SER A 20 12.417 1.033 -6.533 1.00 6.80 H new ATOM 0 HA SER A 20 11.712 3.752 -5.868 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.193 2.608 -8.658 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.046 4.312 -8.277 1.00 8.57 H new ATOM 0 HG SER A 20 14.284 3.646 -8.469 1.00 11.13 H new ATOM 327 N ASP A 21 9.378 1.885 -6.833 1.00 7.50 N ATOM 328 CA ASP A 21 7.931 1.785 -7.111 1.00 7.70 C ATOM 329 C ASP A 21 7.084 2.806 -6.424 1.00 7.08 C ATOM 330 O ASP A 21 7.202 2.989 -5.212 1.00 8.11 O ATOM 331 CB ASP A 21 7.299 0.370 -6.948 1.00 11.00 C ATOM 332 CG ASP A 21 7.823 -0.676 -7.889 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.466 -0.413 -8.920 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.628 -1.904 -7.566 1.00 14.36 O ATOM 0 H ASP A 21 9.769 1.055 -6.388 1.00 7.50 H new ATOM 0 HA ASP A 21 7.921 2.007 -8.178 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.464 0.031 -5.925 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.221 0.453 -7.086 1.00 11.00 H new ATOM 339 N THR A 22 6.167 3.418 -7.120 1.00 5.37 N ATOM 340 CA THR A 22 5.259 4.417 -6.549 1.00 6.01 C ATOM 341 C THR A 22 4.115 3.729 -5.742 1.00 8.01 C ATOM 342 O THR A 22 3.758 2.549 -5.967 1.00 8.11 O ATOM 343 CB THR A 22 4.596 5.296 -7.558 1.00 8.92 C ATOM 344 OG1 THR A 22 3.716 4.680 -8.509 1.00 10.22 O ATOM 345 CG2 THR A 22 5.660 6.178 -8.273 1.00 9.65 C ATOM 0 H THR A 22 6.014 3.246 -8.114 1.00 5.37 H new ATOM 0 HA THR A 22 5.901 5.032 -5.918 1.00 6.01 H new ATOM 0 HB THR A 22 3.910 5.898 -6.962 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.350 5.365 -9.107 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.169 6.816 -9.008 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.172 6.798 -7.537 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.385 5.538 -8.776 1.00 9.65 H new ATOM 353 N ILE A 23 3.513 4.444 -4.807 1.00 8.32 N ATOM 354 CA ILE A 23 2.602 3.814 -3.922 1.00 9.92 C ATOM 355 C ILE A 23 1.297 3.554 -4.679 1.00 10.01 C ATOM 356 O ILE A 23 0.453 2.789 -4.285 1.00 8.71 O ATOM 357 CB ILE A 23 2.332 4.768 -2.763 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.663 5.138 -2.100 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.194 4.358 -1.831 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.558 3.971 -1.592 1.00 12.30 C ATOM 0 H ILE A 23 3.648 5.444 -4.657 1.00 8.32 H new ATOM 0 HA ILE A 23 3.006 2.874 -3.547 1.00 9.92 H new ATOM 0 HB ILE A 23 1.908 5.689 -3.163 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.244 5.722 -2.814 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.448 5.791 -1.254 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.084 5.102 -1.042 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.266 4.291 -2.398 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.419 3.388 -1.387 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.466 4.377 -1.146 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.014 3.394 -0.845 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.822 3.324 -2.429 1.00 12.30 H new ATOM 372 N GLU A 24 1.081 4.276 -5.793 1.00 9.54 N ATOM 373 CA GLU A 24 0.037 4.124 -6.794 1.00 11.81 C ATOM 374 C GLU A 24 0.086 2.813 -7.582 1.00 11.14 C ATOM 375 O GLU A 24 -0.865 2.019 -7.647 1.00 10.62 O ATOM 376 CB GLU A 24 0.149 5.392 -7.691 1.00 19.24 C ATOM 377 CG GLU A 24 -0.958 5.681 -8.732 1.00 27.76 C ATOM 378 CD GLU A 24 -0.743 6.953 -9.508 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.179 7.011 -10.366 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.616 7.855 -9.344 1.00 34.80 O ATOM 0 H GLU A 24 1.699 5.053 -6.027 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.940 4.050 -6.316 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.212 6.257 -7.030 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.096 5.332 -8.227 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.015 4.846 -9.430 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.919 5.736 -8.221 1.00 27.76 H new ATOM 387 N ASN A 25 1.328 2.419 -7.919 1.00 9.43 N ATOM 388 CA ASN A 25 1.658 1.115 -8.417 1.00 10.96 C ATOM 389 C ASN A 25 1.323 0.033 -7.327 1.00 9.68 C ATOM 390 O ASN A 25 0.884 -1.062 -7.612 1.00 9.33 O ATOM 391 CB ASN A 25 3.144 1.104 -8.772 1.00 16.78 C ATOM 392 CG ASN A 25 3.596 -0.043 -9.685 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.363 -0.911 -9.293 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.025 -0.093 -10.875 1.00 24.70 N ATOM 0 H ASN A 25 2.138 3.034 -7.842 1.00 9.43 H new ATOM 0 HA ASN A 25 1.075 0.880 -9.307 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.391 2.049 -9.255 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.720 1.058 -7.848 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.219 -0.874 -11.501 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.390 0.650 -11.168 1.00 24.70 H new ATOM 401 N VAL A 26 1.612 0.331 -6.039 1.00 6.52 N ATOM 402 CA VAL A 26 1.285 -0.572 -4.950 1.00 5.53 C ATOM 403 C VAL A 26 -0.336 -0.700 -4.903 1.00 4.42 C ATOM 404 O VAL A 26 -0.815 -1.828 -4.838 1.00 3.40 O ATOM 405 CB VAL A 26 1.945 -0.146 -3.605 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.418 -1.182 -2.574 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.454 -0.142 -3.860 1.00 8.12 C ATOM 0 H VAL A 26 2.071 1.193 -5.745 1.00 6.52 H new ATOM 0 HA VAL A 26 1.706 -1.562 -5.123 1.00 5.53 H new ATOM 0 HB VAL A 26 1.709 0.845 -3.218 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.833 -0.960 -1.591 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.330 -1.130 -2.529 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.721 -2.184 -2.878 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.976 0.150 -2.949 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.775 -1.140 -4.158 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.687 0.566 -4.655 1.00 8.12 H new ATOM 417 N LYS A 27 -1.137 0.423 -5.026 1.00 2.64 N ATOM 418 CA LYS A 27 -2.554 0.393 -4.953 1.00 4.14 C ATOM 419 C LYS A 27 -3.200 -0.367 -6.146 1.00 5.58 C ATOM 420 O LYS A 27 -4.186 -1.093 -6.043 1.00 4.11 O ATOM 421 CB LYS A 27 -3.226 1.811 -4.801 1.00 3.97 C ATOM 422 CG LYS A 27 -2.792 2.531 -3.612 1.00 7.45 C ATOM 423 CD LYS A 27 -3.448 3.853 -3.224 1.00 9.02 C ATOM 424 CE LYS A 27 -2.599 4.637 -2.163 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.357 5.813 -1.642 1.00 15.47 N ATOM 0 H LYS A 27 -0.759 1.358 -5.179 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.754 -0.157 -4.033 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.998 2.410 -5.683 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.309 1.690 -4.769 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.908 1.854 -2.766 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.725 2.722 -3.723 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.577 4.470 -4.114 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.443 3.661 -2.823 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.336 3.974 -1.339 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.664 4.971 -2.613 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.836 6.237 -0.848 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.468 6.517 -2.399 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.295 5.505 -1.316 1.00 15.47 H new ATOM 439 N ALA A 28 -2.603 -0.224 -7.331 1.00 6.61 N ATOM 440 CA ALA A 28 -2.978 -0.915 -8.603 1.00 7.74 C ATOM 441 C ALA A 28 -2.811 -2.469 -8.617 1.00 9.17 C ATOM 442 O ALA A 28 -3.708 -3.224 -9.029 1.00 11.45 O ATOM 443 CB ALA A 28 -2.017 -0.388 -9.659 1.00 7.68 C ATOM 0 H ALA A 28 -1.807 0.401 -7.454 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.038 -0.716 -8.761 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.238 -0.856 -10.618 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.131 0.692 -9.748 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.993 -0.623 -9.369 1.00 7.68 H new ATOM 449 N LYS A 29 -1.642 -2.918 -8.127 1.00 8.96 N ATOM 450 CA LYS A 29 -1.313 -4.242 -7.880 1.00 7.90 C ATOM 451 C LYS A 29 -2.292 -4.833 -6.892 1.00 6.92 C ATOM 452 O LYS A 29 -2.725 -6.011 -7.042 1.00 6.87 O ATOM 453 CB LYS A 29 0.189 -4.263 -7.476 1.00 10.28 C ATOM 454 CG LYS A 29 0.902 -5.607 -7.545 1.00 14.94 C ATOM 455 CD LYS A 29 2.344 -5.619 -7.119 1.00 19.69 C ATOM 456 CE LYS A 29 3.154 -4.554 -7.837 1.00 22.63 C ATOM 457 NZ LYS A 29 3.415 -4.986 -9.243 1.00 24.98 N ATOM 0 H LYS A 29 -0.881 -2.281 -7.893 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.408 -4.893 -8.749 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.723 -3.562 -8.118 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.271 -3.887 -6.456 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.356 -6.316 -6.923 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.845 -5.972 -8.570 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.406 -5.459 -6.043 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.774 -6.600 -7.320 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.615 -3.607 -7.831 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.097 -4.387 -7.316 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.970 -4.256 -9.733 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.947 -5.880 -9.239 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.510 -5.124 -9.737 1.00 24.98 H new ATOM 471 N ILE A 30 -2.744 -4.136 -5.848 1.00 4.57 N ATOM 472 CA ILE A 30 -3.800 -4.468 -4.840 1.00 5.58 C ATOM 473 C ILE A 30 -5.170 -4.530 -5.562 1.00 7.26 C ATOM 474 O ILE A 30 -5.895 -5.518 -5.361 1.00 9.46 O ATOM 475 CB ILE A 30 -3.864 -3.541 -3.641 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.512 -3.797 -2.876 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.070 -3.814 -2.629 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.265 -2.899 -1.692 1.00 2.00 C ATOM 0 H ILE A 30 -2.346 -3.218 -5.650 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.531 -5.435 -4.415 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.022 -2.522 -3.996 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.496 -4.832 -2.536 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.687 -3.680 -3.579 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.025 -3.098 -1.808 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.018 -3.704 -3.155 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.990 -4.826 -2.233 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.309 -3.155 -1.234 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.243 -1.860 -2.022 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.064 -3.031 -0.962 1.00 2.00 H new ATOM 490 N GLN A 31 -5.567 -3.532 -6.446 1.00 7.06 N ATOM 491 CA GLN A 31 -6.799 -3.744 -7.211 1.00 8.67 C ATOM 492 C GLN A 31 -6.840 -5.006 -8.059 1.00 10.90 C ATOM 493 O GLN A 31 -7.857 -5.745 -8.163 1.00 9.63 O ATOM 494 CB GLN A 31 -7.018 -2.524 -8.160 1.00 9.12 C ATOM 495 CG GLN A 31 -8.453 -2.435 -8.829 1.00 10.76 C ATOM 496 CD GLN A 31 -8.610 -1.241 -9.719 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.646 -0.549 -10.066 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.861 -0.996 -10.029 1.00 14.76 N ATOM 0 H GLN A 31 -5.077 -2.654 -6.616 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.583 -3.856 -6.462 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.841 -1.609 -7.595 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.268 -2.560 -8.950 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.634 -3.340 -9.409 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.211 -2.400 -8.047 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.599 -1.619 -9.701 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.096 -0.182 -10.598 1.00 14.76 H new ATOM 507 N ASP A 32 -5.685 -5.304 -8.635 1.00 10.93 N ATOM 508 CA ASP A 32 -5.442 -6.494 -9.484 1.00 14.01 C ATOM 509 C ASP A 32 -5.620 -7.751 -8.665 1.00 14.04 C ATOM 510 O ASP A 32 -6.309 -8.691 -9.095 1.00 13.39 O ATOM 511 CB ASP A 32 -4.039 -6.177 -10.216 1.00 18.01 C ATOM 512 CG ASP A 32 -3.623 -7.306 -11.122 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.280 -7.513 -12.102 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.561 -7.963 -10.850 1.00 26.29 O ATOM 0 H ASP A 32 -4.858 -4.717 -8.531 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.153 -6.697 -10.285 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.129 -5.258 -10.795 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.266 -6.007 -9.466 1.00 18.01 H new ATOM 519 N LYS A 33 -5.002 -7.812 -7.466 1.00 14.22 N ATOM 520 CA LYS A 33 -5.073 -8.938 -6.677 1.00 14.00 C ATOM 521 C LYS A 33 -6.405 -9.088 -5.944 1.00 12.37 C ATOM 522 O LYS A 33 -6.944 -10.194 -5.932 1.00 12.17 O ATOM 523 CB LYS A 33 -3.886 -8.833 -5.686 1.00 18.62 C ATOM 524 CG LYS A 33 -3.831 -9.977 -4.720 1.00 24.00 C ATOM 525 CD LYS A 33 -2.412 -10.224 -4.199 1.00 27.61 C ATOM 526 CE LYS A 33 -1.321 -10.738 -5.129 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.691 -11.996 -5.822 1.00 30.06 N ATOM 0 H LYS A 33 -4.453 -7.050 -7.068 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.011 -9.832 -7.297 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.953 -8.793 -6.248 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.964 -7.898 -5.131 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.495 -9.774 -3.880 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.200 -10.880 -5.207 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.057 -9.284 -3.777 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.492 -10.933 -3.375 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.096 -9.973 -5.873 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.409 -10.902 -4.554 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.909 -12.295 -6.440 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.879 -12.738 -5.118 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.544 -11.838 -6.395 1.00 30.06 H new ATOM 541 N GLU A 34 -6.929 -8.015 -5.350 1.00 10.11 N ATOM 542 CA GLU A 34 -8.013 -8.060 -4.362 1.00 10.07 C ATOM 543 C GLU A 34 -9.289 -7.456 -4.828 1.00 9.32 C ATOM 544 O GLU A 34 -10.323 -7.749 -4.250 1.00 11.61 O ATOM 545 CB GLU A 34 -7.600 -7.376 -3.078 1.00 14.77 C ATOM 546 CG GLU A 34 -6.683 -8.160 -2.167 1.00 18.75 C ATOM 547 CD GLU A 34 -7.369 -9.488 -1.808 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.437 -9.551 -1.137 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.848 -10.573 -2.227 1.00 21.95 O ATOM 0 H GLU A 34 -6.605 -7.068 -5.546 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.196 -9.122 -4.198 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.108 -6.437 -3.333 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.501 -7.122 -2.520 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.729 -8.348 -2.660 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.468 -7.589 -1.264 1.00 18.75 H new ATOM 556 N GLY A 35 -9.364 -6.700 -5.906 1.00 7.22 N ATOM 557 CA GLY A 35 -10.560 -5.954 -6.264 1.00 6.29 C ATOM 558 C GLY A 35 -10.946 -4.738 -5.570 1.00 6.93 C ATOM 559 O GLY A 35 -11.991 -4.241 -5.830 1.00 7.41 O ATOM 0 H GLY A 35 -8.593 -6.584 -6.564 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.466 -5.697 -7.319 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.399 -6.645 -6.178 1.00 6.29 H new ATOM 563 N ILE A 36 -10.073 -4.175 -4.765 1.00 5.86 N ATOM 564 CA ILE A 36 -10.352 -2.910 -4.098 1.00 6.07 C ATOM 565 C ILE A 36 -10.111 -1.746 -5.059 1.00 6.36 C ATOM 566 O ILE A 36 -9.052 -1.616 -5.635 1.00 6.18 O ATOM 567 CB ILE A 36 -9.573 -2.731 -2.788 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.452 -4.071 -2.046 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.284 -1.668 -1.969 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.439 -4.006 -0.864 1.00 9.49 C ATOM 0 H ILE A 36 -9.157 -4.571 -4.552 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.404 -2.922 -3.812 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.552 -2.402 -2.980 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.431 -4.363 -1.666 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.139 -4.845 -2.747 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.753 -1.517 -1.029 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.306 -0.732 -2.528 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.304 -1.990 -1.762 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.390 -4.978 -0.373 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.452 -3.742 -1.245 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.765 -3.253 -0.147 1.00 9.49 H new ATOM 582 N PRO A 37 -11.001 -0.789 -5.214 1.00 8.65 N ATOM 583 CA PRO A 37 -10.793 0.339 -6.101 1.00 9.18 C ATOM 584 C PRO A 37 -9.707 1.181 -5.419 1.00 9.85 C ATOM 585 O PRO A 37 -9.702 1.359 -4.201 1.00 8.51 O ATOM 586 CB PRO A 37 -12.119 1.142 -6.129 1.00 11.42 C ATOM 587 CG PRO A 37 -12.855 0.585 -4.837 1.00 9.27 C ATOM 588 CD PRO A 37 -12.404 -0.882 -4.758 1.00 8.33 C ATOM 0 HA PRO A 37 -10.509 0.057 -7.115 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.949 2.217 -6.072 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.691 0.957 -7.038 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.568 1.140 -3.944 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.938 0.666 -4.928 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.480 -1.280 -3.746 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -13.001 -1.529 -5.400 1.00 8.33 H new ATOM 596 N PRO A 38 -8.711 1.719 -6.183 1.00 8.71 N ATOM 597 CA PRO A 38 -7.475 2.281 -5.622 1.00 9.08 C ATOM 598 C PRO A 38 -7.763 3.574 -4.778 1.00 9.28 C ATOM 599 O PRO A 38 -6.970 3.931 -3.902 1.00 6.50 O ATOM 600 CB PRO A 38 -6.603 2.639 -6.801 1.00 10.31 C ATOM 601 CG PRO A 38 -7.587 2.708 -7.951 1.00 10.81 C ATOM 602 CD PRO A 38 -8.542 1.556 -7.604 1.00 12.00 C ATOM 0 HA PRO A 38 -7.000 1.560 -4.957 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.093 3.590 -6.650 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.833 1.888 -6.975 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -8.101 3.668 -7.994 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -7.102 2.562 -8.916 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.488 1.637 -8.139 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.116 0.584 -7.855 1.00 12.00 H new ATOM 610 N ASP A 39 -8.864 4.248 -5.111 1.00 11.20 N ATOM 611 CA ASP A 39 -9.189 5.533 -4.492 1.00 14.96 C ATOM 612 C ASP A 39 -9.912 5.408 -3.110 1.00 13.99 C ATOM 613 O ASP A 39 -10.293 6.375 -2.494 1.00 13.75 O ATOM 614 CB ASP A 39 -10.144 6.435 -5.370 1.00 24.16 C ATOM 615 CG ASP A 39 -9.475 6.831 -6.699 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.040 5.994 -7.571 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.376 8.071 -6.906 1.00 35.55 O ATOM 0 H ASP A 39 -9.542 3.928 -5.802 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.204 5.985 -4.380 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.070 5.897 -5.573 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.412 7.333 -4.814 1.00 24.16 H new ATOM 622 N GLN A 40 -10.067 4.150 -2.608 1.00 11.60 N ATOM 623 CA GLN A 40 -10.454 3.887 -1.220 1.00 10.76 C ATOM 624 C GLN A 40 -9.351 3.431 -0.436 1.00 8.01 C ATOM 625 O GLN A 40 -9.539 3.304 0.770 1.00 8.96 O ATOM 626 CB GLN A 40 -11.507 2.769 -1.102 1.00 11.14 C ATOM 627 CG GLN A 40 -12.824 3.215 -1.759 1.00 14.85 C ATOM 628 CD GLN A 40 -13.902 2.214 -1.484 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.823 1.392 -0.587 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.064 2.304 -2.184 1.00 18.16 N ATOM 0 H GLN A 40 -9.925 3.305 -3.162 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.843 4.841 -0.865 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.141 1.861 -1.582 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.678 2.528 -0.053 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.118 4.192 -1.375 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.684 3.324 -2.834 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.153 2.984 -2.939 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.846 1.691 -1.954 1.00 18.16 H new ATOM 639 N GLN A 41 -8.215 3.133 -1.058 1.00 6.52 N ATOM 640 CA GLN A 41 -7.197 2.430 -0.332 1.00 3.87 C ATOM 641 C GLN A 41 -6.242 3.332 0.422 1.00 4.79 C ATOM 642 O GLN A 41 -5.325 3.878 -0.139 1.00 6.34 O ATOM 643 CB GLN A 41 -6.298 1.420 -1.201 1.00 4.20 C ATOM 644 CG GLN A 41 -7.116 0.462 -2.122 1.00 3.20 C ATOM 645 CD GLN A 41 -6.206 -0.237 -3.117 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.008 -0.234 -2.775 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.672 -0.906 -4.139 1.00 7.13 N ATOM 0 H GLN A 41 -7.992 3.362 -2.027 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.805 1.851 0.363 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.613 2.001 -1.818 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.688 0.821 -0.525 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.635 -0.279 -1.514 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.880 1.028 -2.656 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.666 -0.865 -4.365 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.042 -1.469 -4.710 1.00 7.13 H new ATOM 656 N ARG A 42 -6.400 3.567 1.712 1.00 5.73 N ATOM 657 CA ARG A 42 -5.378 4.223 2.499 1.00 6.97 C ATOM 658 C ARG A 42 -4.345 3.251 2.977 1.00 7.15 C ATOM 659 O ARG A 42 -4.602 2.165 3.530 1.00 7.33 O ATOM 660 CB ARG A 42 -5.908 4.979 3.696 1.00 13.23 C ATOM 661 CG ARG A 42 -7.052 5.940 3.286 1.00 21.27 C ATOM 662 CD ARG A 42 -7.756 6.419 4.518 1.00 26.14 C ATOM 663 NE ARG A 42 -8.569 7.615 4.137 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.364 8.308 4.938 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.487 8.060 6.233 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.176 9.247 4.436 1.00 36.39 N ATOM 0 H ARG A 42 -7.235 3.310 2.238 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.936 4.949 1.816 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.271 4.274 4.444 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.100 5.546 4.159 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.650 6.787 2.729 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.754 5.429 2.627 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.395 5.635 4.923 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.036 6.677 5.295 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.505 7.927 3.168 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.954 7.303 6.660 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.115 8.626 6.803 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.184 9.431 3.433 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.787 9.778 5.057 1.00 36.39 H new ATOM 680 N LEU A 43 -3.038 3.443 2.729 1.00 4.65 N ATOM 681 CA LEU A 43 -2.065 2.467 3.072 1.00 3.51 C ATOM 682 C LEU A 43 -1.050 3.173 3.971 1.00 5.56 C ATOM 683 O LEU A 43 -0.591 4.310 3.719 1.00 4.19 O ATOM 684 CB LEU A 43 -1.385 1.835 1.764 1.00 3.74 C ATOM 685 CG LEU A 43 -0.597 0.546 1.915 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.495 -0.591 2.313 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.108 0.222 0.556 1.00 6.41 C ATOM 0 H LEU A 43 -2.658 4.281 2.288 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.515 1.624 3.596 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -2.173 1.659 1.031 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.717 2.585 1.341 1.00 3.74 H new ATOM 0 HG LEU A 43 0.148 0.674 2.701 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.905 -1.502 2.414 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.973 -0.361 3.265 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -2.259 -0.736 1.549 1.00 9.55 H new ATOM 0 HD21 LEU A 43 0.677 -0.702 0.653 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.643 0.105 -0.225 1.00 6.41 H new ATOM 0 HD23 LEU A 43 0.782 1.037 0.292 1.00 6.41 H new ATOM 699 N ILE A 44 -0.715 2.541 5.071 1.00 4.58 N ATOM 700 CA ILE A 44 -0.010 3.092 6.257 1.00 5.55 C ATOM 701 C ILE A 44 1.323 2.421 6.420 1.00 5.46 C ATOM 702 O ILE A 44 1.427 1.198 6.394 1.00 6.04 O ATOM 703 CB ILE A 44 -0.861 2.830 7.552 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.383 3.231 7.385 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.220 3.542 8.744 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.756 4.693 7.234 1.00 13.90 C ATOM 0 H ILE A 44 -0.934 1.552 5.193 1.00 4.58 H new ATOM 0 HA ILE A 44 0.129 4.163 6.111 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.860 1.755 7.734 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.766 2.704 6.511 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.920 2.844 8.251 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.813 3.358 9.640 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.791 3.163 8.894 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.180 4.614 8.549 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.837 4.784 7.131 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.428 5.245 8.115 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.271 5.102 6.348 1.00 13.90 H new ATOM 718 N PHE A 45 2.395 3.156 6.819 1.00 6.75 N ATOM 719 CA PHE A 45 3.635 2.538 7.270 1.00 4.70 C ATOM 720 C PHE A 45 4.296 3.537 8.182 1.00 6.34 C ATOM 721 O PHE A 45 4.283 4.753 7.980 1.00 5.45 O ATOM 722 CB PHE A 45 4.513 2.142 6.070 1.00 5.51 C ATOM 723 CG PHE A 45 5.996 1.950 6.435 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.551 0.767 6.975 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.875 3.070 6.286 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.836 0.768 7.464 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.233 3.030 6.639 1.00 6.64 C ATOM 728 CZ PHE A 45 8.692 1.904 7.242 1.00 6.84 C ATOM 0 H PHE A 45 2.408 4.176 6.831 1.00 6.75 H new ATOM 0 HA PHE A 45 3.458 1.609 7.811 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.130 1.217 5.638 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.432 2.910 5.301 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.964 -0.139 7.003 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.475 3.989 5.883 1.00 5.87 H new ATOM 0 HE1 PHE A 45 8.204 -0.085 8.015 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.888 3.865 6.438 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.722 1.859 7.562 1.00 6.84 H new ATOM 738 N ALA A 46 4.868 3.066 9.272 1.00 6.53 N ATOM 739 CA ALA A 46 5.431 3.885 10.313 1.00 7.15 C ATOM 740 C ALA A 46 4.548 4.972 10.973 1.00 9.00 C ATOM 741 O ALA A 46 4.948 6.126 11.213 1.00 11.15 O ATOM 742 CB ALA A 46 6.812 4.441 9.975 1.00 8.99 C ATOM 0 H ALA A 46 4.954 2.067 9.458 1.00 6.53 H new ATOM 0 HA ALA A 46 5.517 3.133 11.097 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.173 5.048 10.805 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.503 3.617 9.801 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.747 5.056 9.077 1.00 8.99 H new ATOM 748 N GLY A 47 3.259 4.633 11.194 1.00 9.35 N ATOM 749 CA GLY A 47 2.211 5.485 11.723 1.00 11.68 C ATOM 750 C GLY A 47 1.572 6.349 10.698 1.00 11.14 C ATOM 751 O GLY A 47 0.599 7.022 10.992 1.00 13.93 O ATOM 0 H GLY A 47 2.918 3.694 10.989 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.447 4.861 12.187 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.629 6.115 12.508 1.00 11.68 H new ATOM 755 N LYS A 48 2.106 6.436 9.477 1.00 10.47 N ATOM 756 CA LYS A 48 1.819 7.464 8.527 1.00 8.82 C ATOM 757 C LYS A 48 1.202 6.964 7.223 1.00 7.68 C ATOM 758 O LYS A 48 1.564 5.912 6.739 1.00 6.47 O ATOM 759 CB LYS A 48 3.070 8.205 8.147 1.00 9.74 C ATOM 760 CG LYS A 48 3.780 8.914 9.335 1.00 14.14 C ATOM 761 CD LYS A 48 4.733 10.032 8.781 1.00 16.32 C ATOM 762 CE LYS A 48 6.100 9.560 8.231 1.00 20.04 C ATOM 763 NZ LYS A 48 6.862 10.671 7.722 1.00 23.92 N ATOM 0 H LYS A 48 2.777 5.752 9.128 1.00 10.47 H new ATOM 0 HA LYS A 48 1.095 8.101 9.035 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.768 7.505 7.688 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.822 8.950 7.391 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.041 9.351 10.006 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.350 8.190 9.917 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.210 10.564 7.986 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.916 10.752 9.579 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.661 9.061 9.021 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.944 8.828 7.439 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.774 10.329 7.359 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.334 11.131 6.953 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.029 11.357 8.486 1.00 23.92 H new ATOM 777 N GLN A 49 0.265 7.663 6.566 1.00 8.89 N ATOM 778 CA GLN A 49 -0.325 7.367 5.264 1.00 7.18 C ATOM 779 C GLN A 49 0.724 7.551 4.131 1.00 8.23 C ATOM 780 O GLN A 49 1.433 8.497 4.048 1.00 9.70 O ATOM 781 CB GLN A 49 -1.467 8.440 5.062 1.00 11.67 C ATOM 782 CG GLN A 49 -2.145 8.317 3.704 1.00 15.82 C ATOM 783 CD GLN A 49 -3.394 9.230 3.535 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.516 8.779 3.502 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.160 10.585 3.511 1.00 20.67 N ATOM 0 H GLN A 49 -0.126 8.515 6.967 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.690 6.341 5.228 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.212 8.326 5.849 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.045 9.440 5.165 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.422 8.560 2.925 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.443 7.280 3.551 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.203 10.938 3.540 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.943 11.237 3.464 1.00 20.67 H new ATOM 794 N LEU A 50 0.717 6.635 3.199 1.00 6.51 N ATOM 795 CA LEU A 50 1.568 6.547 2.040 1.00 7.41 C ATOM 796 C LEU A 50 0.901 7.138 0.872 1.00 8.27 C ATOM 797 O LEU A 50 -0.147 6.639 0.433 1.00 8.34 O ATOM 798 CB LEU A 50 2.017 5.086 1.641 1.00 7.13 C ATOM 799 CG LEU A 50 2.722 4.410 2.906 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.970 2.842 2.601 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.119 5.067 3.073 1.00 9.11 C ATOM 0 H LEU A 50 0.055 5.860 3.235 1.00 6.51 H new ATOM 0 HA LEU A 50 2.467 7.092 2.327 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.155 4.497 1.328 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.705 5.118 0.796 1.00 7.13 H new ATOM 0 HG LEU A 50 2.100 4.536 3.792 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.451 2.376 3.461 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.015 2.353 2.410 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.612 2.739 1.726 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.628 4.627 3.930 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.711 4.898 2.173 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.000 6.139 3.233 1.00 9.11 H new ATOM 813 N GLU A 51 1.406 8.314 0.314 1.00 9.43 N ATOM 814 CA GLU A 51 0.796 9.075 -0.784 1.00 11.90 C ATOM 815 C GLU A 51 1.189 8.449 -2.067 1.00 11.49 C ATOM 816 O GLU A 51 2.280 7.987 -2.280 1.00 9.88 O ATOM 817 CB GLU A 51 1.237 10.527 -0.636 1.00 16.56 C ATOM 818 CG GLU A 51 0.689 11.234 0.633 1.00 26.06 C ATOM 819 CD GLU A 51 1.239 12.595 0.851 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.962 13.209 0.024 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.888 13.170 1.911 1.00 33.44 O ATOM 0 H GLU A 51 2.271 8.739 0.649 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.294 9.062 -0.760 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.326 10.564 -0.617 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.915 11.084 -1.516 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.397 11.299 0.560 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.913 10.619 1.504 1.00 26.06 H new ATOM 828 N ASP A 52 0.244 8.386 -3.024 1.00 12.71 N ATOM 829 CA ASP A 52 0.297 7.734 -4.317 1.00 16.56 C ATOM 830 C ASP A 52 1.534 8.104 -5.152 1.00 15.83 C ATOM 831 O ASP A 52 2.237 7.199 -5.582 1.00 17.21 O ATOM 832 CB ASP A 52 -1.030 8.193 -5.073 1.00 21.05 C ATOM 833 CG ASP A 52 -2.317 7.634 -4.482 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.669 7.845 -3.293 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.998 6.944 -5.213 1.00 25.82 O ATOM 0 H ASP A 52 -0.659 8.840 -2.883 1.00 12.71 H new ATOM 0 HA ASP A 52 0.368 6.655 -4.179 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.082 9.282 -5.061 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.962 7.889 -6.117 1.00 21.05 H new ATOM 840 N GLY A 53 1.821 9.415 -5.377 1.00 15.00 N ATOM 841 CA GLY A 53 2.756 9.780 -6.366 1.00 11.77 C ATOM 842 C GLY A 53 4.235 9.633 -5.943 1.00 11.10 C ATOM 843 O GLY A 53 5.154 9.757 -6.761 1.00 11.25 O ATOM 0 H GLY A 53 1.401 10.195 -4.871 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.584 9.170 -7.252 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.576 10.816 -6.652 1.00 11.77 H new ATOM 847 N ARG A 54 4.519 9.355 -4.643 1.00 8.53 N ATOM 848 CA ARG A 54 5.842 9.238 -4.085 1.00 9.05 C ATOM 849 C ARG A 54 6.262 7.792 -4.118 1.00 8.96 C ATOM 850 O ARG A 54 5.458 6.925 -4.424 1.00 11.60 O ATOM 851 CB ARG A 54 5.968 9.758 -2.655 1.00 7.97 C ATOM 852 CG ARG A 54 5.273 11.101 -2.426 1.00 9.62 C ATOM 853 CD ARG A 54 5.437 11.556 -0.934 1.00 12.20 C ATOM 854 NE ARG A 54 4.570 12.819 -0.779 1.00 18.23 N ATOM 855 CZ ARG A 54 5.048 14.068 -0.744 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.235 14.409 -1.029 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.189 15.035 -0.378 1.00 23.38 N ATOM 0 H ARG A 54 3.786 9.205 -3.950 1.00 8.53 H new ATOM 0 HA ARG A 54 6.490 9.864 -4.698 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.548 9.020 -1.971 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.024 9.858 -2.406 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.696 11.854 -3.091 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.215 11.016 -2.673 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.112 10.773 -0.249 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.481 11.768 -0.703 1.00 12.20 H new ATOM 0 HE ARG A 54 3.561 12.695 -0.697 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.914 13.703 -1.313 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.511 15.389 -0.974 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.225 14.799 -0.144 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.501 16.005 -0.335 1.00 23.38 H new ATOM 871 N THR A 55 7.502 7.403 -3.841 1.00 9.05 N ATOM 872 CA THR A 55 7.924 6.005 -3.939 1.00 9.03 C ATOM 873 C THR A 55 8.150 5.334 -2.618 1.00 8.15 C ATOM 874 O THR A 55 8.172 5.886 -1.519 1.00 5.91 O ATOM 875 CB THR A 55 9.148 5.849 -4.792 1.00 11.15 C ATOM 876 OG1 THR A 55 10.271 6.367 -4.054 1.00 11.95 O ATOM 877 CG2 THR A 55 9.139 6.672 -6.143 1.00 11.71 C ATOM 0 H THR A 55 8.240 8.041 -3.544 1.00 9.05 H new ATOM 0 HA THR A 55 7.080 5.503 -4.411 1.00 9.03 H new ATOM 0 HB THR A 55 9.193 4.788 -5.037 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.356 7.329 -4.221 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.067 6.491 -6.686 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.293 6.358 -6.755 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.050 7.735 -5.921 1.00 11.71 H new ATOM 885 N LEU A 56 8.258 4.004 -2.644 1.00 6.91 N ATOM 886 CA LEU A 56 8.582 3.184 -1.401 1.00 8.29 C ATOM 887 C LEU A 56 9.806 3.627 -0.624 1.00 8.05 C ATOM 888 O LEU A 56 9.773 3.801 0.575 1.00 10.17 O ATOM 889 CB LEU A 56 8.656 1.717 -1.861 1.00 6.60 C ATOM 890 CG LEU A 56 7.440 1.083 -2.396 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.722 -0.251 -3.103 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.522 0.673 -1.205 1.00 8.64 C ATOM 0 H LEU A 56 8.133 3.446 -3.488 1.00 6.91 H new ATOM 0 HA LEU A 56 7.794 3.335 -0.663 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.429 1.649 -2.627 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.994 1.121 -1.013 1.00 6.60 H new ATOM 0 HG LEU A 56 7.005 1.807 -3.085 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.787 -0.670 -3.476 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.403 -0.084 -3.937 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.176 -0.947 -2.398 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.617 0.202 -1.589 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.052 -0.029 -0.562 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.254 1.560 -0.630 1.00 8.64 H new ATOM 904 N SER A 57 10.899 3.856 -1.402 1.00 8.92 N ATOM 905 CA SER A 57 12.118 4.402 -0.901 1.00 9.00 C ATOM 906 C SER A 57 12.050 5.817 -0.351 1.00 9.44 C ATOM 907 O SER A 57 12.816 6.178 0.547 1.00 10.91 O ATOM 908 CB SER A 57 13.231 4.366 -1.924 1.00 10.32 C ATOM 909 OG SER A 57 14.492 4.574 -1.331 1.00 13.59 O ATOM 0 H SER A 57 10.923 3.653 -2.401 1.00 8.92 H new ATOM 0 HA SER A 57 12.324 3.740 -0.060 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.224 3.403 -2.435 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.054 5.130 -2.681 1.00 10.32 H new ATOM 0 HG SER A 57 15.187 4.543 -2.021 1.00 13.59 H new ATOM 915 N ASP A 58 11.185 6.703 -0.872 1.00 9.11 N ATOM 916 CA ASP A 58 10.936 7.993 -0.333 1.00 7.91 C ATOM 917 C ASP A 58 10.305 7.980 1.049 1.00 9.12 C ATOM 918 O ASP A 58 10.468 8.858 1.886 1.00 8.61 O ATOM 919 CB ASP A 58 9.959 8.718 -1.244 1.00 8.41 C ATOM 920 CG ASP A 58 10.702 9.129 -2.521 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.754 9.791 -2.469 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.144 8.924 -3.622 1.00 11.70 O ATOM 0 H ASP A 58 10.636 6.506 -1.709 1.00 9.11 H new ATOM 0 HA ASP A 58 11.909 8.478 -0.257 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.116 8.071 -1.487 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.553 9.596 -0.742 1.00 8.41 H new ATOM 927 N TYR A 59 9.591 6.912 1.374 1.00 7.97 N ATOM 928 CA TYR A 59 8.933 6.667 2.668 1.00 8.45 C ATOM 929 C TYR A 59 9.651 5.714 3.561 1.00 10.98 C ATOM 930 O TYR A 59 9.126 5.334 4.592 1.00 12.95 O ATOM 931 CB TYR A 59 7.528 6.162 2.387 1.00 7.94 C ATOM 932 CG TYR A 59 6.560 7.346 2.249 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.230 8.189 3.310 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.787 7.399 1.103 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.244 9.124 3.131 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.701 8.297 0.930 1.00 6.52 C ATOM 937 CZ TYR A 59 4.399 9.121 1.988 1.00 6.76 C ATOM 938 OH TYR A 59 3.358 10.053 1.868 1.00 7.63 O ATOM 0 H TYR A 59 9.442 6.148 0.715 1.00 7.97 H new ATOM 0 HA TYR A 59 8.928 7.611 3.213 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.522 5.569 1.472 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.201 5.506 3.194 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.743 8.106 4.257 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.022 6.721 0.296 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.105 9.887 3.882 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.138 8.331 0.009 1.00 6.52 H new ATOM 0 HH TYR A 59 3.689 10.857 1.415 1.00 7.63 H new ATOM 948 N ASN A 60 10.884 5.312 3.212 1.00 12.38 N ATOM 949 CA ASN A 60 11.733 4.394 3.902 1.00 13.94 C ATOM 950 C ASN A 60 11.189 2.943 4.045 1.00 14.16 C ATOM 951 O ASN A 60 11.447 2.267 5.052 1.00 14.26 O ATOM 952 CB ASN A 60 12.217 4.983 5.216 1.00 19.23 C ATOM 953 CG ASN A 60 12.786 6.445 4.968 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.235 7.439 5.461 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.721 6.595 4.096 1.00 24.09 N ATOM 0 H ASN A 60 11.327 5.665 2.364 1.00 12.38 H new ATOM 0 HA ASN A 60 12.595 4.259 3.249 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.398 5.018 5.934 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.992 4.349 5.647 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.008 7.532 3.812 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.175 5.777 3.690 1.00 24.09 H new ATOM 962 N ILE A 61 10.500 2.392 3.044 1.00 11.08 N ATOM 963 CA ILE A 61 10.044 1.020 3.043 1.00 11.78 C ATOM 964 C ILE A 61 11.095 0.162 2.387 1.00 13.74 C ATOM 965 O ILE A 61 11.660 0.516 1.362 1.00 14.60 O ATOM 966 CB ILE A 61 8.713 0.898 2.245 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.707 1.877 2.843 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.243 -0.561 2.543 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.516 2.092 2.003 1.00 11.42 C ATOM 0 H ILE A 61 10.244 2.905 2.200 1.00 11.08 H new ATOM 0 HA ILE A 61 9.873 0.694 4.069 1.00 11.78 H new ATOM 0 HB ILE A 61 8.815 1.106 1.180 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.390 1.508 3.818 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.201 2.834 3.009 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.304 -0.754 2.024 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.000 -1.265 2.197 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.096 -0.684 3.616 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.848 2.799 2.494 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.820 2.492 1.036 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.998 1.144 1.857 1.00 11.42 H new ATOM 981 N GLN A 62 11.432 -0.968 3.090 1.00 13.97 N ATOM 982 CA GLN A 62 12.567 -1.849 2.820 1.00 15.52 C ATOM 983 C GLN A 62 12.088 -3.319 2.669 1.00 13.94 C ATOM 984 O GLN A 62 10.938 -3.684 2.791 1.00 12.15 O ATOM 985 CB GLN A 62 13.720 -1.889 3.883 1.00 19.53 C ATOM 986 CG GLN A 62 14.312 -0.486 4.219 1.00 26.38 C ATOM 987 CD GLN A 62 15.350 -0.548 5.368 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.938 -0.943 6.434 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.611 -0.147 5.205 1.00 32.71 N ATOM 0 H GLN A 62 10.882 -1.283 3.889 1.00 13.97 H new ATOM 0 HA GLN A 62 12.982 -1.411 1.912 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.342 -2.343 4.799 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.519 -2.532 3.515 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.783 -0.070 3.329 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.504 0.190 4.498 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.928 0.181 4.293 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.259 -0.168 5.993 1.00 32.71 H new ATOM 998 N LYS A 63 13.015 -4.176 2.342 1.00 11.73 N ATOM 999 CA LYS A 63 12.916 -5.628 2.114 1.00 11.97 C ATOM 1000 C LYS A 63 12.190 -6.381 3.188 1.00 10.41 C ATOM 1001 O LYS A 63 12.497 -6.266 4.372 1.00 9.59 O ATOM 1002 CB LYS A 63 14.358 -6.223 1.882 1.00 13.73 C ATOM 1003 CG LYS A 63 14.315 -7.771 1.683 1.00 16.98 C ATOM 1004 CD LYS A 63 15.560 -8.415 1.021 1.00 20.19 C ATOM 1005 CE LYS A 63 16.797 -8.634 1.953 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.965 -9.214 1.289 1.00 25.97 N ATOM 0 H LYS A 63 13.975 -3.857 2.209 1.00 11.73 H new ATOM 0 HA LYS A 63 12.303 -5.759 1.222 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.809 -5.755 1.007 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.993 -5.983 2.735 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.167 -8.237 2.657 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.442 -8.014 1.077 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.268 -9.380 0.606 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.867 -7.788 0.184 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.081 -7.676 2.388 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.504 -9.284 2.777 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.736 -9.325 1.978 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.715 -10.144 0.897 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.275 -8.586 0.520 1.00 25.97 H new ATOM 1020 N GLU A 64 11.126 -7.142 2.828 1.00 10.04 N ATOM 1021 CA GLU A 64 10.276 -7.809 3.791 1.00 10.94 C ATOM 1022 C GLU A 64 9.485 -6.933 4.792 1.00 9.74 C ATOM 1023 O GLU A 64 9.160 -7.283 5.907 1.00 9.42 O ATOM 1024 CB GLU A 64 11.041 -8.908 4.671 1.00 18.31 C ATOM 1025 CG GLU A 64 11.472 -10.186 3.868 1.00 24.16 C ATOM 1026 CD GLU A 64 12.097 -11.213 4.810 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.390 -11.642 5.732 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.357 -11.454 4.688 1.00 32.61 O ATOM 0 H GLU A 64 10.851 -7.297 1.858 1.00 10.04 H new ATOM 0 HA GLU A 64 9.557 -8.252 3.102 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.928 -8.452 5.111 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.396 -9.211 5.496 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.606 -10.620 3.368 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.185 -9.913 3.091 1.00 24.16 H new ATOM 1035 N SER A 65 9.253 -5.643 4.474 1.00 6.85 N ATOM 1036 CA SER A 65 8.404 -4.722 5.221 1.00 6.90 C ATOM 1037 C SER A 65 6.907 -5.211 5.314 1.00 4.72 C ATOM 1038 O SER A 65 6.383 -5.804 4.411 1.00 3.91 O ATOM 1039 CB SER A 65 8.536 -3.260 4.731 1.00 7.28 C ATOM 1040 OG SER A 65 8.140 -2.310 5.687 1.00 10.56 O ATOM 0 H SER A 65 9.674 -5.207 3.654 1.00 6.85 H new ATOM 0 HA SER A 65 8.778 -4.726 6.245 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.572 -3.071 4.451 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.934 -3.131 3.831 1.00 7.28 H new ATOM 0 HG SER A 65 8.757 -1.549 5.666 1.00 10.56 H new ATOM 1046 N THR A 66 6.205 -4.830 6.346 1.00 4.48 N ATOM 1047 CA THR A 66 4.797 -5.079 6.525 1.00 3.80 C ATOM 1048 C THR A 66 4.080 -3.728 6.500 1.00 4.60 C ATOM 1049 O THR A 66 4.333 -2.877 7.359 1.00 5.33 O ATOM 1050 CB THR A 66 4.344 -5.882 7.776 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.781 -7.243 7.641 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.858 -5.949 7.908 1.00 3.40 C ATOM 0 H THR A 66 6.617 -4.313 7.123 1.00 4.48 H new ATOM 0 HA THR A 66 4.529 -5.745 5.705 1.00 3.80 H new ATOM 0 HB THR A 66 4.770 -5.374 8.641 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.500 -7.756 8.427 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.597 -6.521 8.798 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.455 -4.940 7.994 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.436 -6.435 7.028 1.00 3.40 H new ATOM 1060 N LEU A 67 3.173 -3.495 5.527 1.00 4.17 N ATOM 1061 CA LEU A 67 2.337 -2.289 5.380 1.00 3.85 C ATOM 1062 C LEU A 67 0.968 -2.569 5.859 1.00 3.80 C ATOM 1063 O LEU A 67 0.577 -3.755 5.934 1.00 5.54 O ATOM 1064 CB LEU A 67 2.335 -1.891 3.926 1.00 7.18 C ATOM 1065 CG LEU A 67 3.647 -1.595 3.116 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.207 -1.077 1.799 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.491 -0.573 3.902 1.00 11.66 C ATOM 0 H LEU A 67 2.997 -4.176 4.789 1.00 4.17 H new ATOM 0 HA LEU A 67 2.736 -1.469 5.977 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.813 -2.684 3.390 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.718 -0.996 3.852 1.00 7.18 H new ATOM 0 HG LEU A 67 4.272 -2.476 2.969 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.080 -0.851 1.187 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.597 -1.828 1.298 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.620 -0.170 1.942 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.407 -0.357 3.351 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.920 0.347 4.032 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.744 -0.985 4.879 1.00 11.66 H new ATOM 1079 N HIS A 68 0.158 -1.539 6.176 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.166 -1.869 6.749 1.00 4.17 C ATOM 1081 C HIS A 68 -2.143 -1.059 5.855 1.00 5.32 C ATOM 1082 O HIS A 68 -2.007 0.058 5.481 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.391 -1.429 8.239 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.823 -2.432 9.244 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.540 -2.571 9.539 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.418 -3.398 9.971 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.656 -3.636 10.415 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.484 -4.153 10.698 1.00 16.30 N ATOM 0 H HIS A 68 0.369 -0.548 6.059 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.295 -2.951 6.764 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.926 -0.457 8.400 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.459 -1.305 8.420 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.484 -3.570 9.992 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.595 -3.990 10.814 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.671 -4.942 11.317 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.254 -1.727 5.501 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.275 -1.288 4.671 1.00 3.97 C ATOM 1098 C LEU A 69 -5.507 -0.896 5.388 1.00 5.07 C ATOM 1099 O LEU A 69 -6.072 -1.744 6.110 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.642 -2.389 3.655 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.694 -2.079 2.527 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.615 -0.643 1.962 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.486 -3.047 1.345 1.00 9.96 C ATOM 0 H LEU A 69 -3.430 -2.670 5.846 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.885 -0.398 4.177 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.720 -2.703 3.165 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.010 -3.246 4.220 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.669 -2.198 3.000 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.374 -0.513 1.190 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.788 0.074 2.765 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.628 -0.475 1.532 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.216 -2.831 0.565 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.480 -2.922 0.945 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.615 -4.073 1.688 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.877 0.393 5.275 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.015 1.011 5.919 1.00 6.26 C ATOM 1117 C VAL A 70 -7.952 1.536 4.796 1.00 9.22 C ATOM 1118 O VAL A 70 -7.630 2.386 4.017 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.516 2.175 6.768 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.640 2.742 7.571 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.465 1.546 7.728 1.00 8.54 C ATOM 0 H VAL A 70 -5.353 1.052 4.699 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.549 0.307 6.557 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.103 2.979 6.158 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.273 3.573 8.174 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.423 3.098 6.901 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.045 1.970 8.225 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.055 2.320 8.376 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.942 0.778 8.337 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.661 1.099 7.144 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.254 1.042 4.792 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.115 1.515 3.707 1.00 16.06 C ATOM 1133 C LEU A 71 -10.914 2.731 4.014 1.00 18.09 C ATOM 1134 O LEU A 71 -11.622 2.871 5.048 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.927 0.387 3.117 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.180 -0.741 2.470 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.149 -1.796 1.853 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.096 -0.251 1.517 1.00 19.57 C ATOM 0 H LEU A 71 -9.664 0.391 5.461 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.436 1.867 2.930 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.547 -0.031 3.910 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.603 0.812 2.375 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.637 -1.269 3.254 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.570 -2.597 1.394 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.783 -2.210 2.637 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.772 -1.319 1.096 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.586 -1.107 1.076 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.549 0.348 0.727 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.377 0.357 2.066 1.00 19.57 H new