USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 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 28 ASN : amide:sc= -5.95 X(o=-15,f=-14) USER MOD Set 1.2: A 64 ASN : amide:sc= -8.75! C(o=-15!,f=-12!) USER MOD Set 2.1: A 10 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.216) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 160:sc= -0.669 USER MOD Single : A 4 THR OG1 : rot -163:sc= -3.93! USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.047) USER MOD Single : A 13 SER OG : rot 40:sc= 0.0934 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -2.13 X(o=-2.1,f=-2.1!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0955 K(o=-0.096,f=-0.69) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.9) USER MOD Single : A 27 SER OG : rot 57:sc= 0.0956 USER MOD Single : A 30 THR OG1 : rot -39:sc= 0.796 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.099) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 37:sc= 0.681 USER MOD Single : A 58 GLN : amide:sc= -0.653 K(o=-0.65,f=-0.041) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.501 USER MOD Single : A 67 GLN : amide:sc= 0.193 X(o=0.19,f=-0.00059) USER MOD Single : A 72 TYR OH : rot 150:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.79 K(o=-1.8,f=-3.1!) USER MOD Single : A 77 ASN : amide:sc= -2.32 K(o=-2.3,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 0.141 4.303 -0.074 1.00 0.00 N ATOM 43 CA SER A 3 0.017 5.196 1.072 1.00 0.00 C ATOM 44 C SER A 3 -1.026 4.676 2.056 1.00 0.00 C ATOM 45 O SER A 3 -1.602 3.605 1.861 1.00 0.00 O ATOM 46 CB SER A 3 -0.362 6.604 0.608 1.00 0.00 C ATOM 47 OG SER A 3 0.771 7.456 0.587 1.00 0.00 O ATOM 0 HA SER A 3 0.982 5.234 1.578 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.803 6.556 -0.387 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.120 7.018 1.273 1.00 0.00 H new ATOM 0 HG SER A 3 0.592 8.223 0.004 1.00 0.00 H new ATOM 53 N THR A 4 -1.264 5.442 3.117 1.00 0.00 N ATOM 54 CA THR A 4 -2.236 5.059 4.133 1.00 0.00 C ATOM 55 C THR A 4 -3.603 4.792 3.514 1.00 0.00 C ATOM 56 O THR A 4 -4.424 4.072 4.084 1.00 0.00 O ATOM 57 CB THR A 4 -2.377 6.148 5.213 1.00 0.00 C ATOM 58 OG1 THR A 4 -1.090 6.686 5.538 1.00 0.00 O ATOM 59 CG2 THR A 4 -3.028 5.584 6.468 1.00 0.00 C ATOM 0 H THR A 4 -0.797 6.331 3.294 1.00 0.00 H new ATOM 0 HA THR A 4 -1.866 4.144 4.596 1.00 0.00 H new ATOM 0 HB THR A 4 -3.012 6.941 4.818 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.142 7.167 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.117 6.371 7.217 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.019 5.202 6.223 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.415 4.775 6.864 1.00 0.00 H new ATOM 67 N PHE A 5 -3.842 5.377 2.345 1.00 0.00 N ATOM 68 CA PHE A 5 -5.112 5.202 1.649 1.00 0.00 C ATOM 69 C PHE A 5 -5.501 3.728 1.589 1.00 0.00 C ATOM 70 O PHE A 5 -6.682 3.385 1.645 1.00 0.00 O ATOM 71 CB PHE A 5 -5.024 5.776 0.233 1.00 0.00 C ATOM 72 CG PHE A 5 -6.350 5.848 -0.468 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.491 6.232 0.217 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.456 5.530 -1.813 1.00 0.00 C ATOM 75 CE1 PHE A 5 -8.713 6.300 -0.425 1.00 0.00 C ATOM 76 CE2 PHE A 5 -7.675 5.596 -2.460 1.00 0.00 C ATOM 77 CZ PHE A 5 -8.805 5.980 -1.765 1.00 0.00 C ATOM 0 H PHE A 5 -3.174 5.976 1.860 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.880 5.740 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.593 6.776 0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.343 5.163 -0.357 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.425 6.481 1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.576 5.227 -2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.594 6.603 0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.744 5.347 -3.509 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.759 6.030 -2.269 1.00 0.00 H new ATOM 87 N ASP A 6 -4.501 2.862 1.476 1.00 0.00 N ATOM 88 CA ASP A 6 -4.737 1.425 1.409 1.00 0.00 C ATOM 89 C ASP A 6 -5.573 0.956 2.596 1.00 0.00 C ATOM 90 O ASP A 6 -6.708 0.509 2.430 1.00 0.00 O ATOM 91 CB ASP A 6 -3.408 0.669 1.375 1.00 0.00 C ATOM 92 CG ASP A 6 -3.331 -0.315 0.224 1.00 0.00 C ATOM 93 OD1 ASP A 6 -3.868 -1.434 0.363 1.00 0.00 O ATOM 94 OD2 ASP A 6 -2.732 0.033 -0.816 1.00 0.00 O ATOM 0 H ASP A 6 -3.518 3.130 1.429 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.289 1.215 0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.589 1.384 1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.273 0.135 2.316 1.00 0.00 H new ATOM 99 N ASP A 7 -5.004 1.061 3.792 1.00 0.00 N ATOM 100 CA ASP A 7 -5.697 0.648 5.007 1.00 0.00 C ATOM 101 C ASP A 7 -6.869 1.577 5.307 1.00 0.00 C ATOM 102 O ASP A 7 -7.894 1.148 5.837 1.00 0.00 O ATOM 103 CB ASP A 7 -4.728 0.629 6.190 1.00 0.00 C ATOM 104 CG ASP A 7 -5.194 -0.286 7.305 1.00 0.00 C ATOM 105 OD1 ASP A 7 -6.414 -0.539 7.395 1.00 0.00 O ATOM 106 OD2 ASP A 7 -4.338 -0.751 8.087 1.00 0.00 O ATOM 0 H ASP A 7 -4.065 1.428 3.946 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.086 -0.358 4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.745 0.306 5.846 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.613 1.641 6.578 1.00 0.00 H new ATOM 111 N ILE A 8 -6.709 2.852 4.965 1.00 0.00 N ATOM 112 CA ILE A 8 -7.754 3.841 5.199 1.00 0.00 C ATOM 113 C ILE A 8 -9.027 3.486 4.438 1.00 0.00 C ATOM 114 O ILE A 8 -10.135 3.648 4.950 1.00 0.00 O ATOM 115 CB ILE A 8 -7.296 5.251 4.782 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.710 5.997 5.983 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.458 6.030 4.184 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.896 7.213 5.601 1.00 0.00 C ATOM 0 H ILE A 8 -5.867 3.223 4.526 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.961 3.836 6.269 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.519 5.155 4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.523 6.306 6.640 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.081 5.313 6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.119 7.024 3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.835 5.505 3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.255 6.119 4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.512 7.692 6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.062 6.909 4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.526 7.916 5.057 1.00 0.00 H new ATOM 130 N LYS A 9 -8.861 3.000 3.213 1.00 0.00 N ATOM 131 CA LYS A 9 -9.996 2.619 2.380 1.00 0.00 C ATOM 132 C LYS A 9 -10.552 1.264 2.807 1.00 0.00 C ATOM 133 O LYS A 9 -11.722 0.960 2.571 1.00 0.00 O ATOM 134 CB LYS A 9 -9.581 2.571 0.908 1.00 0.00 C ATOM 135 CG LYS A 9 -9.119 1.198 0.451 1.00 0.00 C ATOM 136 CD LYS A 9 -8.124 1.297 -0.693 1.00 0.00 C ATOM 137 CE LYS A 9 -8.829 1.403 -2.037 1.00 0.00 C ATOM 138 NZ LYS A 9 -9.390 0.095 -2.473 1.00 0.00 N ATOM 0 H LYS A 9 -7.951 2.860 2.774 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.777 3.369 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.423 2.886 0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.778 3.289 0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.662 0.670 1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.981 0.610 0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.485 2.168 -0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.475 0.421 -0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.631 2.138 -1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.127 1.766 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.711 0.166 -3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.657 -0.639 -2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.195 -0.158 -1.865 1.00 0.00 H new ATOM 152 N LYS A 10 -9.708 0.455 3.438 1.00 0.00 N ATOM 153 CA LYS A 10 -10.116 -0.866 3.901 1.00 0.00 C ATOM 154 C LYS A 10 -10.858 -0.772 5.230 1.00 0.00 C ATOM 155 O LYS A 10 -11.776 -1.549 5.495 1.00 0.00 O ATOM 156 CB LYS A 10 -8.894 -1.776 4.050 1.00 0.00 C ATOM 157 CG LYS A 10 -8.497 -2.028 5.494 1.00 0.00 C ATOM 158 CD LYS A 10 -7.201 -2.816 5.587 1.00 0.00 C ATOM 159 CE LYS A 10 -7.396 -4.262 5.156 1.00 0.00 C ATOM 160 NZ LYS A 10 -7.511 -5.178 6.324 1.00 0.00 N ATOM 0 H LYS A 10 -8.737 0.691 3.641 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.791 -1.292 3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.101 -2.731 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.051 -1.328 3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.383 -1.076 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.293 -2.574 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.443 -2.347 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.829 -2.787 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.294 -4.340 4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.557 -4.572 4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.421 -6.163 6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.756 -4.966 7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.436 -5.045 6.779 1.00 0.00 H new ATOM 174 N ILE A 11 -10.457 0.184 6.060 1.00 0.00 N ATOM 175 CA ILE A 11 -11.086 0.381 7.360 1.00 0.00 C ATOM 176 C ILE A 11 -12.418 1.110 7.221 1.00 0.00 C ATOM 177 O ILE A 11 -13.375 0.817 7.938 1.00 0.00 O ATOM 178 CB ILE A 11 -10.175 1.178 8.312 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.886 2.565 7.735 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.879 0.421 8.561 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.892 3.363 8.550 1.00 0.00 C ATOM 0 H ILE A 11 -9.699 0.835 5.855 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.258 -0.610 7.780 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.690 1.302 9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.506 2.455 6.719 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.820 3.123 7.667 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.245 0.997 9.236 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.103 -0.546 9.011 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.359 0.270 7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.735 4.335 8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.279 3.504 9.559 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.945 2.826 8.596 1.00 0.00 H new ATOM 193 N ILE A 12 -12.473 2.059 6.293 1.00 0.00 N ATOM 194 CA ILE A 12 -13.689 2.828 6.057 1.00 0.00 C ATOM 195 C ILE A 12 -14.712 2.012 5.275 1.00 0.00 C ATOM 196 O ILE A 12 -15.919 2.165 5.463 1.00 0.00 O ATOM 197 CB ILE A 12 -13.392 4.130 5.290 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.805 3.814 3.913 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.442 5.010 6.088 1.00 0.00 C ATOM 200 CD1 ILE A 12 -13.786 4.008 2.779 1.00 0.00 C ATOM 0 H ILE A 12 -11.689 2.314 5.692 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.099 3.078 7.035 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.327 4.673 5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.936 4.449 3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.453 2.783 3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.242 5.926 5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.896 5.259 7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.507 4.476 6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.301 3.766 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.645 3.353 2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -14.120 5.045 2.760 1.00 0.00 H new ATOM 212 N SER A 13 -14.222 1.142 4.397 1.00 0.00 N ATOM 213 CA SER A 13 -15.094 0.302 3.584 1.00 0.00 C ATOM 214 C SER A 13 -15.723 -0.803 4.427 1.00 0.00 C ATOM 215 O SER A 13 -16.890 -1.151 4.245 1.00 0.00 O ATOM 216 CB SER A 13 -14.309 -0.310 2.423 1.00 0.00 C ATOM 217 OG SER A 13 -15.121 -1.193 1.668 1.00 0.00 O ATOM 0 H SER A 13 -13.226 1.001 4.231 1.00 0.00 H new ATOM 0 HA SER A 13 -15.892 0.928 3.184 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.931 0.483 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.443 -0.848 2.809 1.00 0.00 H new ATOM 0 HG SER A 13 -16.022 -0.816 1.582 1.00 0.00 H new ATOM 223 N LYS A 14 -14.941 -1.352 5.350 1.00 0.00 N ATOM 224 CA LYS A 14 -15.420 -2.418 6.223 1.00 0.00 C ATOM 225 C LYS A 14 -16.211 -1.847 7.396 1.00 0.00 C ATOM 226 O LYS A 14 -17.052 -2.529 7.979 1.00 0.00 O ATOM 227 CB LYS A 14 -14.243 -3.246 6.743 1.00 0.00 C ATOM 228 CG LYS A 14 -14.651 -4.341 7.714 1.00 0.00 C ATOM 229 CD LYS A 14 -14.154 -4.053 9.121 1.00 0.00 C ATOM 230 CE LYS A 14 -13.995 -5.331 9.928 1.00 0.00 C ATOM 231 NZ LYS A 14 -14.137 -5.085 11.390 1.00 0.00 N ATOM 0 H LYS A 14 -13.973 -1.077 5.513 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.080 -3.061 5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.725 -3.697 5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.532 -2.582 7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.737 -4.434 7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.252 -5.297 7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.198 -3.532 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.854 -3.387 9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.741 -6.058 9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.017 -5.768 9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.022 -5.981 11.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.409 -4.411 11.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.079 -4.691 11.586 1.00 0.00 H new ATOM 245 N GLN A 15 -15.935 -0.591 7.734 1.00 0.00 N ATOM 246 CA GLN A 15 -16.622 0.071 8.837 1.00 0.00 C ATOM 247 C GLN A 15 -18.050 0.436 8.447 1.00 0.00 C ATOM 248 O GLN A 15 -19.011 -0.136 8.964 1.00 0.00 O ATOM 249 CB GLN A 15 -15.859 1.328 9.259 1.00 0.00 C ATOM 250 CG GLN A 15 -16.572 2.142 10.327 1.00 0.00 C ATOM 251 CD GLN A 15 -17.216 1.274 11.390 1.00 0.00 C ATOM 252 OE1 GLN A 15 -16.542 0.496 12.064 1.00 0.00 O ATOM 253 NE2 GLN A 15 -18.529 1.404 11.545 1.00 0.00 N ATOM 0 H GLN A 15 -15.241 -0.012 7.260 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.660 -0.622 9.677 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.876 1.039 9.630 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.697 1.956 8.383 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.859 2.819 10.799 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -17.336 2.761 9.857 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -19.048 2.062 10.964 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -19.018 0.846 12.245 1.00 0.00 H new ATOM 262 N LEU A 16 -18.184 1.391 7.534 1.00 0.00 N ATOM 263 CA LEU A 16 -19.496 1.834 7.075 1.00 0.00 C ATOM 264 C LEU A 16 -19.903 1.100 5.801 1.00 0.00 C ATOM 265 O LEU A 16 -20.854 0.318 5.800 1.00 0.00 O ATOM 266 CB LEU A 16 -19.489 3.343 6.828 1.00 0.00 C ATOM 267 CG LEU A 16 -18.723 4.187 7.847 1.00 0.00 C ATOM 268 CD1 LEU A 16 -17.269 4.337 7.430 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.377 5.552 8.009 1.00 0.00 C ATOM 0 H LEU A 16 -17.400 1.874 7.096 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.223 1.603 7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -19.064 3.527 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -20.522 3.691 6.801 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.753 3.676 8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.740 4.941 8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.805 3.353 7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.218 4.825 6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.818 6.139 8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.379 6.071 7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.403 5.425 8.355 1.00 0.00 H new ATOM 281 N SER A 17 -19.175 1.356 4.719 1.00 0.00 N ATOM 282 CA SER A 17 -19.461 0.721 3.437 1.00 0.00 C ATOM 283 C SER A 17 -18.497 1.210 2.361 1.00 0.00 C ATOM 284 O SER A 17 -17.891 0.412 1.645 1.00 0.00 O ATOM 285 CB SER A 17 -20.903 1.007 3.013 1.00 0.00 C ATOM 286 OG SER A 17 -21.636 -0.195 2.855 1.00 0.00 O ATOM 0 H SER A 17 -18.383 1.998 4.704 1.00 0.00 H new ATOM 0 HA SER A 17 -19.330 -0.355 3.556 1.00 0.00 H new ATOM 0 HB2 SER A 17 -21.387 1.636 3.760 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.906 1.564 2.076 1.00 0.00 H new ATOM 0 HG SER A 17 -22.555 0.015 2.586 1.00 0.00 H new ATOM 292 N VAL A 18 -18.358 2.528 2.254 1.00 0.00 N ATOM 293 CA VAL A 18 -17.467 3.125 1.267 1.00 0.00 C ATOM 294 C VAL A 18 -17.532 4.647 1.316 1.00 0.00 C ATOM 295 O VAL A 18 -18.604 5.226 1.487 1.00 0.00 O ATOM 296 CB VAL A 18 -17.811 2.653 -0.159 1.00 0.00 C ATOM 297 CG1 VAL A 18 -19.308 2.757 -0.409 1.00 0.00 C ATOM 298 CG2 VAL A 18 -17.034 3.459 -1.188 1.00 0.00 C ATOM 0 H VAL A 18 -18.851 3.202 2.839 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.457 2.799 1.516 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.522 1.607 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -19.532 2.420 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.841 2.133 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.625 3.793 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -17.289 3.113 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -17.290 4.514 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.965 3.329 -1.020 1.00 0.00 H new ATOM 308 N GLU A 19 -16.378 5.289 1.165 1.00 0.00 N ATOM 309 CA GLU A 19 -16.305 6.745 1.193 1.00 0.00 C ATOM 310 C GLU A 19 -14.993 7.236 0.589 1.00 0.00 C ATOM 311 O GLU A 19 -14.477 8.287 0.969 1.00 0.00 O ATOM 312 CB GLU A 19 -16.441 7.257 2.629 1.00 0.00 C ATOM 313 CG GLU A 19 -15.499 6.578 3.609 1.00 0.00 C ATOM 314 CD GLU A 19 -15.633 7.121 5.019 1.00 0.00 C ATOM 315 OE1 GLU A 19 -16.610 7.852 5.283 1.00 0.00 O ATOM 316 OE2 GLU A 19 -14.760 6.814 5.857 1.00 0.00 O ATOM 0 H GLU A 19 -15.481 4.824 1.022 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.129 7.136 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.253 8.331 2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.468 7.109 2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.699 5.506 3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.472 6.709 3.269 1.00 0.00 H new ATOM 323 N GLU A 20 -14.458 6.466 -0.354 1.00 0.00 N ATOM 324 CA GLU A 20 -13.205 6.822 -1.010 1.00 0.00 C ATOM 325 C GLU A 20 -13.362 8.103 -1.824 1.00 0.00 C ATOM 326 O GLU A 20 -12.386 8.805 -2.092 1.00 0.00 O ATOM 327 CB GLU A 20 -12.737 5.682 -1.917 1.00 0.00 C ATOM 328 CG GLU A 20 -13.795 5.215 -2.903 1.00 0.00 C ATOM 329 CD GLU A 20 -13.219 4.360 -4.015 1.00 0.00 C ATOM 330 OE1 GLU A 20 -12.246 3.622 -3.752 1.00 0.00 O ATOM 331 OE2 GLU A 20 -13.741 4.429 -5.147 1.00 0.00 O ATOM 0 H GLU A 20 -14.872 5.593 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.455 6.993 -0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.856 6.007 -2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.432 4.838 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.557 4.646 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.290 6.083 -3.337 1.00 0.00 H new ATOM 338 N ASP A 21 -14.596 8.401 -2.216 1.00 0.00 N ATOM 339 CA ASP A 21 -14.882 9.597 -2.999 1.00 0.00 C ATOM 340 C ASP A 21 -15.276 10.759 -2.093 1.00 0.00 C ATOM 341 O ASP A 21 -15.684 11.820 -2.566 1.00 0.00 O ATOM 342 CB ASP A 21 -16.000 9.318 -4.006 1.00 0.00 C ATOM 343 CG ASP A 21 -16.078 10.373 -5.091 1.00 0.00 C ATOM 344 OD1 ASP A 21 -15.244 10.331 -6.020 1.00 0.00 O ATOM 345 OD2 ASP A 21 -16.971 11.242 -5.012 1.00 0.00 O ATOM 0 H ASP A 21 -15.414 7.830 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.976 9.872 -3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.838 8.342 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.954 9.270 -3.481 1.00 0.00 H new ATOM 350 N LYS A 22 -15.152 10.552 -0.786 1.00 0.00 N ATOM 351 CA LYS A 22 -15.495 11.581 0.188 1.00 0.00 C ATOM 352 C LYS A 22 -14.577 11.506 1.404 1.00 0.00 C ATOM 353 O LYS A 22 -14.863 12.096 2.447 1.00 0.00 O ATOM 354 CB LYS A 22 -16.953 11.432 0.627 1.00 0.00 C ATOM 355 CG LYS A 22 -17.418 9.989 0.714 1.00 0.00 C ATOM 356 CD LYS A 22 -18.265 9.749 1.952 1.00 0.00 C ATOM 357 CE LYS A 22 -19.560 10.545 1.904 1.00 0.00 C ATOM 358 NZ LYS A 22 -20.757 9.663 1.987 1.00 0.00 N ATOM 0 H LYS A 22 -14.816 9.680 -0.377 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.363 12.553 -0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.081 11.905 1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.591 11.969 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.994 9.737 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.552 9.327 0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.493 8.687 2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.699 10.027 2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.578 11.260 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.598 11.122 0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.619 10.244 1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.754 8.998 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.735 9.131 2.880 1.00 0.00 H new ATOM 372 N ILE A 23 -13.474 10.779 1.263 1.00 0.00 N ATOM 373 CA ILE A 23 -12.514 10.630 2.350 1.00 0.00 C ATOM 374 C ILE A 23 -11.105 10.989 1.891 1.00 0.00 C ATOM 375 O ILE A 23 -10.119 10.560 2.490 1.00 0.00 O ATOM 376 CB ILE A 23 -12.510 9.193 2.905 1.00 0.00 C ATOM 377 CG1 ILE A 23 -11.882 9.163 4.300 1.00 0.00 C ATOM 378 CG2 ILE A 23 -11.762 8.263 1.961 1.00 0.00 C ATOM 379 CD1 ILE A 23 -12.890 9.297 5.419 1.00 0.00 C ATOM 0 H ILE A 23 -13.223 10.284 0.407 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.823 11.315 3.140 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.541 8.847 2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.336 8.228 4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.154 9.970 4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.768 7.251 2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.249 8.266 0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.733 8.605 1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.374 9.268 6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.419 10.245 5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.604 8.475 5.366 1.00 0.00 H new ATOM 391 N GLN A 24 -11.019 11.780 0.827 1.00 0.00 N ATOM 392 CA GLN A 24 -9.729 12.199 0.289 1.00 0.00 C ATOM 393 C GLN A 24 -9.735 13.687 -0.044 1.00 0.00 C ATOM 394 O GLN A 24 -9.181 14.108 -1.058 1.00 0.00 O ATOM 395 CB GLN A 24 -9.387 11.386 -0.961 1.00 0.00 C ATOM 396 CG GLN A 24 -10.456 11.449 -2.040 1.00 0.00 C ATOM 397 CD GLN A 24 -9.959 12.094 -3.318 1.00 0.00 C ATOM 398 OE1 GLN A 24 -8.809 11.907 -3.715 1.00 0.00 O ATOM 399 NE2 GLN A 24 -10.826 12.859 -3.971 1.00 0.00 N ATOM 0 H GLN A 24 -11.826 12.144 0.320 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.970 12.019 1.051 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.445 11.748 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.231 10.346 -0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.805 10.440 -2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.313 12.009 -1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.770 12.987 -3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.548 13.319 -4.838 1.00 0.00 H new ATOM 408 N MET A 25 -10.367 14.478 0.817 1.00 0.00 N ATOM 409 CA MET A 25 -10.444 15.920 0.615 1.00 0.00 C ATOM 410 C MET A 25 -9.201 16.614 1.164 1.00 0.00 C ATOM 411 O MET A 25 -9.079 17.836 1.093 1.00 0.00 O ATOM 412 CB MET A 25 -11.696 16.485 1.288 1.00 0.00 C ATOM 413 CG MET A 25 -12.964 16.294 0.471 1.00 0.00 C ATOM 414 SD MET A 25 -13.934 17.808 0.330 1.00 0.00 S ATOM 415 CE MET A 25 -15.559 17.137 -0.016 1.00 0.00 C ATOM 0 H MET A 25 -10.833 14.145 1.661 1.00 0.00 H new ATOM 0 HA MET A 25 -10.500 16.108 -0.457 1.00 0.00 H new ATOM 0 HB2 MET A 25 -11.824 16.007 2.259 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.550 17.549 1.474 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.700 15.942 -0.526 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.575 15.517 0.931 1.00 0.00 H new ATOM 0 HE1 MET A 25 -16.273 17.953 -0.130 1.00 0.00 H new ATOM 0 HE2 MET A 25 -15.524 16.554 -0.937 1.00 0.00 H new ATOM 0 HE3 MET A 25 -15.870 16.495 0.808 1.00 0.00 H new ATOM 425 N ASN A 26 -8.282 15.825 1.711 1.00 0.00 N ATOM 426 CA ASN A 26 -7.048 16.364 2.272 1.00 0.00 C ATOM 427 C ASN A 26 -7.349 17.405 3.346 1.00 0.00 C ATOM 428 O ASN A 26 -6.533 18.286 3.616 1.00 0.00 O ATOM 429 CB ASN A 26 -6.190 16.985 1.169 1.00 0.00 C ATOM 430 CG ASN A 26 -6.286 16.222 -0.138 1.00 0.00 C ATOM 431 OD1 ASN A 26 -7.129 16.521 -0.984 1.00 0.00 O ATOM 432 ND2 ASN A 26 -5.421 15.229 -0.308 1.00 0.00 N ATOM 0 H ASN A 26 -8.368 14.811 1.778 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.497 15.543 2.731 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.502 18.017 1.008 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.150 17.013 1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.438 14.679 -1.167 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.739 15.016 0.420 1.00 0.00 H new ATOM 439 N SER A 27 -8.526 17.297 3.955 1.00 0.00 N ATOM 440 CA SER A 27 -8.936 18.231 4.997 1.00 0.00 C ATOM 441 C SER A 27 -8.958 17.548 6.361 1.00 0.00 C ATOM 442 O SER A 27 -8.048 17.724 7.169 1.00 0.00 O ATOM 443 CB SER A 27 -10.318 18.806 4.680 1.00 0.00 C ATOM 444 OG SER A 27 -10.286 19.588 3.499 1.00 0.00 O ATOM 0 H SER A 27 -9.212 16.572 3.745 1.00 0.00 H new ATOM 0 HA SER A 27 -8.210 19.044 5.029 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.035 17.994 4.563 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.662 19.417 5.515 1.00 0.00 H new ATOM 0 HG SER A 27 -9.946 19.046 2.757 1.00 0.00 H new ATOM 450 N ASN A 28 -10.004 16.767 6.608 1.00 0.00 N ATOM 451 CA ASN A 28 -10.146 16.057 7.874 1.00 0.00 C ATOM 452 C ASN A 28 -10.988 14.796 7.700 1.00 0.00 C ATOM 453 O ASN A 28 -11.655 14.618 6.680 1.00 0.00 O ATOM 454 CB ASN A 28 -10.784 16.968 8.925 1.00 0.00 C ATOM 455 CG ASN A 28 -10.284 18.397 8.832 1.00 0.00 C ATOM 456 OD1 ASN A 28 -9.367 18.793 9.552 1.00 0.00 O ATOM 457 ND2 ASN A 28 -10.885 19.177 7.942 1.00 0.00 N ATOM 0 H ASN A 28 -10.766 16.610 5.948 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.151 15.765 8.211 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.867 16.956 8.803 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.571 16.576 9.919 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.591 20.148 7.834 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.641 18.806 7.366 1.00 0.00 H new ATOM 464 N PHE A 29 -10.952 13.924 8.702 1.00 0.00 N ATOM 465 CA PHE A 29 -11.710 12.680 8.659 1.00 0.00 C ATOM 466 C PHE A 29 -12.999 12.800 9.468 1.00 0.00 C ATOM 467 O PHE A 29 -13.962 12.068 9.237 1.00 0.00 O ATOM 468 CB PHE A 29 -10.864 11.523 9.197 1.00 0.00 C ATOM 469 CG PHE A 29 -10.254 10.675 8.118 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.229 11.170 7.326 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.703 9.384 7.895 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.666 10.392 6.332 1.00 0.00 C ATOM 473 CE2 PHE A 29 -10.144 8.601 6.903 1.00 0.00 C ATOM 474 CZ PHE A 29 -9.123 9.106 6.121 1.00 0.00 C ATOM 0 H PHE A 29 -10.406 14.056 9.553 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.970 12.479 7.620 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.069 11.926 9.825 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.486 10.894 9.834 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.867 12.174 7.488 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.500 8.984 8.504 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.869 10.789 5.721 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.505 7.596 6.739 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.683 8.496 5.346 1.00 0.00 H new ATOM 484 N THR A 30 -13.010 13.730 10.418 1.00 0.00 N ATOM 485 CA THR A 30 -14.177 13.947 11.262 1.00 0.00 C ATOM 486 C THR A 30 -14.681 15.381 11.147 1.00 0.00 C ATOM 487 O THR A 30 -15.601 15.787 11.858 1.00 0.00 O ATOM 488 CB THR A 30 -13.867 13.641 12.740 1.00 0.00 C ATOM 489 OG1 THR A 30 -15.069 13.705 13.516 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.847 14.625 13.293 1.00 0.00 C ATOM 0 H THR A 30 -12.222 14.345 10.622 1.00 0.00 H new ATOM 0 HA THR A 30 -14.951 13.264 10.912 1.00 0.00 H new ATOM 0 HB THR A 30 -13.449 12.636 12.801 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.622 14.451 13.202 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.644 14.390 14.338 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.924 14.553 12.718 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.242 15.638 13.220 1.00 0.00 H new ATOM 498 N LYS A 31 -14.073 16.146 10.246 1.00 0.00 N ATOM 499 CA LYS A 31 -14.461 17.536 10.035 1.00 0.00 C ATOM 500 C LYS A 31 -14.910 17.763 8.595 1.00 0.00 C ATOM 501 O LYS A 31 -15.837 18.530 8.338 1.00 0.00 O ATOM 502 CB LYS A 31 -13.294 18.468 10.370 1.00 0.00 C ATOM 503 CG LYS A 31 -12.404 17.953 11.487 1.00 0.00 C ATOM 504 CD LYS A 31 -11.247 18.899 11.760 1.00 0.00 C ATOM 505 CE LYS A 31 -11.405 19.599 13.101 1.00 0.00 C ATOM 506 NZ LYS A 31 -10.647 20.881 13.150 1.00 0.00 N ATOM 0 H LYS A 31 -13.309 15.827 9.650 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.298 17.759 10.697 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.690 18.616 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.689 19.444 10.653 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.994 17.827 12.395 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.016 16.970 11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.310 18.343 11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.188 19.642 10.965 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.461 19.794 13.287 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.058 18.941 13.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.780 21.328 14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.636 20.692 12.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.996 21.519 12.406 1.00 0.00 H new ATOM 520 N ASP A 32 -14.247 17.090 7.661 1.00 0.00 N ATOM 521 CA ASP A 32 -14.580 17.217 6.247 1.00 0.00 C ATOM 522 C ASP A 32 -15.814 16.388 5.903 1.00 0.00 C ATOM 523 O ASP A 32 -16.622 16.779 5.059 1.00 0.00 O ATOM 524 CB ASP A 32 -13.398 16.777 5.381 1.00 0.00 C ATOM 525 CG ASP A 32 -13.606 17.095 3.913 1.00 0.00 C ATOM 526 OD1 ASP A 32 -14.235 16.276 3.212 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.138 18.163 3.465 1.00 0.00 O ATOM 0 H ASP A 32 -13.476 16.451 7.857 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.799 18.265 6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.491 17.270 5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.244 15.704 5.499 1.00 0.00 H new ATOM 532 N LEU A 33 -15.953 15.242 6.560 1.00 0.00 N ATOM 533 CA LEU A 33 -17.089 14.358 6.324 1.00 0.00 C ATOM 534 C LEU A 33 -18.009 14.315 7.540 1.00 0.00 C ATOM 535 O LEU A 33 -19.220 14.149 7.409 1.00 0.00 O ATOM 536 CB LEU A 33 -16.600 12.947 5.990 1.00 0.00 C ATOM 537 CG LEU A 33 -15.231 12.560 6.551 1.00 0.00 C ATOM 538 CD1 LEU A 33 -15.166 11.064 6.814 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.125 12.985 5.597 1.00 0.00 C ATOM 0 H LEU A 33 -15.293 14.903 7.260 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.654 14.751 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.336 12.232 6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -16.569 12.842 4.905 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.086 13.081 7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.185 10.807 7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -15.935 10.788 7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -15.332 10.523 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.158 12.702 6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.265 12.492 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.158 14.066 5.460 1.00 0.00 H new ATOM 551 N GLY A 34 -17.424 14.470 8.724 1.00 0.00 N ATOM 552 CA GLY A 34 -18.206 14.448 9.946 1.00 0.00 C ATOM 553 C GLY A 34 -19.110 13.235 10.034 1.00 0.00 C ATOM 554 O GLY A 34 -20.313 13.364 10.263 1.00 0.00 O ATOM 0 H GLY A 34 -16.423 14.610 8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.534 14.459 10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.811 15.353 10.003 1.00 0.00 H new ATOM 558 N ALA A 35 -18.532 12.053 9.851 1.00 0.00 N ATOM 559 CA ALA A 35 -19.294 10.812 9.911 1.00 0.00 C ATOM 560 C ALA A 35 -19.851 10.577 11.311 1.00 0.00 C ATOM 561 O ALA A 35 -21.020 10.852 11.579 1.00 0.00 O ATOM 562 CB ALA A 35 -18.426 9.638 9.482 1.00 0.00 C ATOM 0 H ALA A 35 -17.538 11.928 9.660 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.135 10.898 9.223 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.008 8.718 9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.081 9.795 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.566 9.559 10.147 1.00 0.00 H new ATOM 568 N ASP A 36 -19.006 10.066 12.200 1.00 0.00 N ATOM 569 CA ASP A 36 -19.414 9.794 13.574 1.00 0.00 C ATOM 570 C ASP A 36 -18.275 9.156 14.362 1.00 0.00 C ATOM 571 O ASP A 36 -17.651 8.179 13.951 1.00 0.00 O ATOM 572 CB ASP A 36 -20.640 8.879 13.593 1.00 0.00 C ATOM 573 CG ASP A 36 -20.496 7.700 12.651 1.00 0.00 C ATOM 574 OD1 ASP A 36 -20.635 7.899 11.426 1.00 0.00 O ATOM 575 OD2 ASP A 36 -20.247 6.578 13.138 1.00 0.00 O ATOM 0 H ASP A 36 -18.035 9.832 11.994 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.671 10.742 14.046 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.801 8.513 14.607 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.524 9.455 13.318 1.00 0.00 H new ATOM 580 N SER A 37 -17.982 9.722 15.546 1.00 0.00 N ATOM 581 CA SER A 37 -16.919 9.290 16.482 1.00 0.00 C ATOM 582 C SER A 37 -16.806 7.760 16.586 1.00 0.00 C ATOM 583 O SER A 37 -15.714 7.194 16.649 1.00 0.00 O ATOM 584 CB SER A 37 -17.232 9.933 17.843 1.00 0.00 C ATOM 585 OG SER A 37 -18.440 9.408 18.395 1.00 0.00 O ATOM 0 H SER A 37 -18.500 10.528 15.896 1.00 0.00 H new ATOM 0 HA SER A 37 -15.946 9.617 16.114 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.406 9.754 18.532 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.321 11.013 17.726 1.00 0.00 H new ATOM 0 HG SER A 37 -18.615 9.832 19.261 1.00 0.00 H new ATOM 590 N LEU A 38 -17.961 7.105 16.605 1.00 0.00 N ATOM 591 CA LEU A 38 -18.015 5.650 16.702 1.00 0.00 C ATOM 592 C LEU A 38 -17.317 4.999 15.512 1.00 0.00 C ATOM 593 O LEU A 38 -16.402 4.193 15.682 1.00 0.00 O ATOM 594 CB LEU A 38 -19.467 5.177 16.778 1.00 0.00 C ATOM 595 CG LEU A 38 -20.391 5.989 17.687 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.207 6.979 16.870 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.306 5.067 18.479 1.00 0.00 C ATOM 0 H LEU A 38 -18.873 7.558 16.555 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.495 5.352 17.612 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.884 5.184 15.771 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.473 4.142 17.119 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.776 6.549 18.391 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.859 7.548 17.533 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.536 7.661 16.348 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.812 6.439 16.142 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -21.956 5.662 19.120 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.914 4.479 17.791 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.704 4.398 19.094 1.00 0.00 H new ATOM 609 N ASP A 39 -17.755 5.355 14.310 1.00 0.00 N ATOM 610 CA ASP A 39 -17.170 4.807 13.091 1.00 0.00 C ATOM 611 C ASP A 39 -15.729 5.277 12.921 1.00 0.00 C ATOM 612 O ASP A 39 -14.853 4.500 12.538 1.00 0.00 O ATOM 613 CB ASP A 39 -18.000 5.217 11.873 1.00 0.00 C ATOM 614 CG ASP A 39 -19.258 4.384 11.723 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.612 3.665 12.681 1.00 0.00 O ATOM 616 OD2 ASP A 39 -19.889 4.453 10.648 1.00 0.00 O ATOM 0 H ASP A 39 -18.512 6.020 14.153 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.171 3.720 13.173 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.272 6.269 11.960 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.393 5.118 10.973 1.00 0.00 H new ATOM 621 N LEU A 40 -15.490 6.552 13.207 1.00 0.00 N ATOM 622 CA LEU A 40 -14.154 7.126 13.085 1.00 0.00 C ATOM 623 C LEU A 40 -13.159 6.382 13.969 1.00 0.00 C ATOM 624 O LEU A 40 -12.136 5.889 13.492 1.00 0.00 O ATOM 625 CB LEU A 40 -14.179 8.608 13.461 1.00 0.00 C ATOM 626 CG LEU A 40 -14.250 9.596 12.296 1.00 0.00 C ATOM 627 CD1 LEU A 40 -12.988 9.515 11.451 1.00 0.00 C ATOM 628 CD2 LEU A 40 -15.482 9.328 11.444 1.00 0.00 C ATOM 0 H LEU A 40 -16.203 7.208 13.525 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.835 7.026 12.047 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -15.036 8.783 14.112 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.285 8.829 14.045 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.327 10.604 12.703 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.056 10.225 10.627 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.122 9.756 12.067 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.881 8.506 11.053 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -15.516 10.040 10.620 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.436 8.314 11.046 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.378 9.437 12.055 1.00 0.00 H new ATOM 640 N VAL A 41 -13.466 6.301 15.260 1.00 0.00 N ATOM 641 CA VAL A 41 -12.600 5.614 16.210 1.00 0.00 C ATOM 642 C VAL A 41 -12.508 4.126 15.893 1.00 0.00 C ATOM 643 O VAL A 41 -11.534 3.465 16.251 1.00 0.00 O ATOM 644 CB VAL A 41 -13.103 5.789 17.656 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.211 5.031 18.627 1.00 0.00 C ATOM 646 CG2 VAL A 41 -13.170 7.264 18.021 1.00 0.00 C ATOM 0 H VAL A 41 -14.308 6.703 15.672 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.611 6.064 16.120 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.109 5.375 17.725 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.582 5.166 19.643 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.219 3.970 18.376 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.192 5.412 18.559 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.527 7.369 19.045 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.177 7.705 17.936 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.854 7.776 17.344 1.00 0.00 H new ATOM 656 N GLU A 42 -13.528 3.606 15.218 1.00 0.00 N ATOM 657 CA GLU A 42 -13.562 2.194 14.853 1.00 0.00 C ATOM 658 C GLU A 42 -12.582 1.903 13.720 1.00 0.00 C ATOM 659 O GLU A 42 -11.564 1.238 13.919 1.00 0.00 O ATOM 660 CB GLU A 42 -14.976 1.786 14.437 1.00 0.00 C ATOM 661 CG GLU A 42 -15.704 0.961 15.486 1.00 0.00 C ATOM 662 CD GLU A 42 -15.413 1.426 16.899 1.00 0.00 C ATOM 663 OE1 GLU A 42 -16.142 2.312 17.393 1.00 0.00 O ATOM 664 OE2 GLU A 42 -14.458 0.905 17.511 1.00 0.00 O ATOM 0 H GLU A 42 -14.341 4.140 14.913 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.266 1.611 15.725 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.557 2.684 14.225 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.923 1.215 13.510 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -16.777 1.014 15.304 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.415 -0.085 15.385 1.00 0.00 H new ATOM 671 N LEU A 43 -12.897 2.403 12.530 1.00 0.00 N ATOM 672 CA LEU A 43 -12.046 2.197 11.363 1.00 0.00 C ATOM 673 C LEU A 43 -10.584 2.466 11.702 1.00 0.00 C ATOM 674 O LEU A 43 -9.689 1.758 11.238 1.00 0.00 O ATOM 675 CB LEU A 43 -12.492 3.105 10.216 1.00 0.00 C ATOM 676 CG LEU A 43 -12.405 4.609 10.477 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.113 5.176 9.910 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.610 5.324 9.882 1.00 0.00 C ATOM 0 H LEU A 43 -13.736 2.954 12.348 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.142 1.157 11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.887 2.873 9.340 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.524 2.859 9.965 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.406 4.772 11.555 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.069 6.247 10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.262 4.686 10.383 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.080 5.002 8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.531 6.393 10.077 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.640 5.153 8.806 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.523 4.938 10.336 1.00 0.00 H new ATOM 690 N ILE A 44 -10.349 3.492 12.513 1.00 0.00 N ATOM 691 CA ILE A 44 -8.995 3.852 12.916 1.00 0.00 C ATOM 692 C ILE A 44 -8.351 2.739 13.736 1.00 0.00 C ATOM 693 O ILE A 44 -7.232 2.313 13.451 1.00 0.00 O ATOM 694 CB ILE A 44 -8.980 5.155 13.737 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.367 6.344 12.856 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.608 5.373 14.358 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.779 7.569 13.641 1.00 0.00 C ATOM 0 H ILE A 44 -11.078 4.088 12.904 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.423 4.003 12.001 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.712 5.070 14.540 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.524 6.600 12.215 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.187 6.049 12.202 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.613 6.298 14.935 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.369 4.537 15.015 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.858 5.441 13.570 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.040 8.372 12.952 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.642 7.330 14.262 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.953 7.889 14.276 1.00 0.00 H new ATOM 709 N MET A 45 -9.066 2.273 14.754 1.00 0.00 N ATOM 710 CA MET A 45 -8.565 1.207 15.614 1.00 0.00 C ATOM 711 C MET A 45 -8.092 0.017 14.785 1.00 0.00 C ATOM 712 O MET A 45 -7.166 -0.694 15.176 1.00 0.00 O ATOM 713 CB MET A 45 -9.652 0.761 16.595 1.00 0.00 C ATOM 714 CG MET A 45 -10.364 -0.514 16.173 1.00 0.00 C ATOM 715 SD MET A 45 -11.855 -0.828 17.137 1.00 0.00 S ATOM 716 CE MET A 45 -11.204 -1.873 18.438 1.00 0.00 C ATOM 0 H MET A 45 -9.993 2.616 15.004 1.00 0.00 H new ATOM 0 HA MET A 45 -7.716 1.596 16.176 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.204 0.609 17.577 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.386 1.560 16.699 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.626 -0.447 15.117 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.683 -1.358 16.279 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.009 -2.152 19.118 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.771 -2.772 18.000 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.435 -1.332 18.989 1.00 0.00 H new ATOM 726 N ALA A 46 -8.733 -0.194 13.641 1.00 0.00 N ATOM 727 CA ALA A 46 -8.376 -1.297 12.757 1.00 0.00 C ATOM 728 C ALA A 46 -7.093 -0.993 11.991 1.00 0.00 C ATOM 729 O ALA A 46 -6.253 -1.872 11.794 1.00 0.00 O ATOM 730 CB ALA A 46 -9.514 -1.587 11.789 1.00 0.00 C ATOM 0 H ALA A 46 -9.503 0.384 13.304 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.201 -2.180 13.371 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.234 -2.413 11.135 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.409 -1.856 12.350 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.715 -0.700 11.188 1.00 0.00 H new ATOM 736 N LEU A 47 -6.947 0.255 11.561 1.00 0.00 N ATOM 737 CA LEU A 47 -5.766 0.675 10.816 1.00 0.00 C ATOM 738 C LEU A 47 -4.492 0.374 11.600 1.00 0.00 C ATOM 739 O LEU A 47 -3.534 -0.176 11.057 1.00 0.00 O ATOM 740 CB LEU A 47 -5.842 2.170 10.500 1.00 0.00 C ATOM 741 CG LEU A 47 -5.294 2.596 9.138 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.471 4.093 8.936 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.829 2.208 9.007 1.00 0.00 C ATOM 0 H LEU A 47 -7.632 0.994 11.716 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.738 0.114 9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.884 2.482 10.564 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.299 2.713 11.274 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.857 2.076 8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.075 4.378 7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.531 4.344 8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.934 4.632 9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.456 2.519 8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.251 2.699 9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.729 1.127 9.106 1.00 0.00 H new ATOM 755 N GLU A 48 -4.491 0.736 12.879 1.00 0.00 N ATOM 756 CA GLU A 48 -3.335 0.503 13.737 1.00 0.00 C ATOM 757 C GLU A 48 -3.219 -0.974 14.104 1.00 0.00 C ATOM 758 O GLU A 48 -2.159 -1.579 13.954 1.00 0.00 O ATOM 759 CB GLU A 48 -3.436 1.349 15.008 1.00 0.00 C ATOM 760 CG GLU A 48 -2.507 0.892 16.119 1.00 0.00 C ATOM 761 CD GLU A 48 -3.196 -0.016 17.119 1.00 0.00 C ATOM 762 OE1 GLU A 48 -4.073 0.475 17.861 1.00 0.00 O ATOM 763 OE2 GLU A 48 -2.858 -1.218 17.160 1.00 0.00 O ATOM 0 H GLU A 48 -5.277 1.191 13.344 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.441 0.794 13.186 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.211 2.387 14.762 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.463 1.323 15.371 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.656 0.368 15.684 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.111 1.765 16.639 1.00 0.00 H new ATOM 770 N GLU A 49 -4.318 -1.545 14.587 1.00 0.00 N ATOM 771 CA GLU A 49 -4.339 -2.950 14.977 1.00 0.00 C ATOM 772 C GLU A 49 -3.905 -3.843 13.818 1.00 0.00 C ATOM 773 O GLU A 49 -3.423 -4.957 14.024 1.00 0.00 O ATOM 774 CB GLU A 49 -5.739 -3.351 15.448 1.00 0.00 C ATOM 775 CG GLU A 49 -5.764 -4.636 16.259 1.00 0.00 C ATOM 776 CD GLU A 49 -7.095 -4.866 16.947 1.00 0.00 C ATOM 777 OE1 GLU A 49 -8.104 -4.282 16.496 1.00 0.00 O ATOM 778 OE2 GLU A 49 -7.129 -5.628 17.935 1.00 0.00 O ATOM 0 H GLU A 49 -5.204 -1.057 14.717 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.635 -3.083 15.799 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.156 -2.543 16.050 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.386 -3.467 14.579 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.548 -5.479 15.603 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.973 -4.604 17.008 1.00 0.00 H new ATOM 785 N LYS A 50 -4.081 -3.346 12.598 1.00 0.00 N ATOM 786 CA LYS A 50 -3.708 -4.097 11.405 1.00 0.00 C ATOM 787 C LYS A 50 -2.266 -3.800 11.005 1.00 0.00 C ATOM 788 O LYS A 50 -1.574 -4.660 10.458 1.00 0.00 O ATOM 789 CB LYS A 50 -4.650 -3.756 10.248 1.00 0.00 C ATOM 790 CG LYS A 50 -4.198 -4.317 8.911 1.00 0.00 C ATOM 791 CD LYS A 50 -4.086 -5.831 8.951 1.00 0.00 C ATOM 792 CE LYS A 50 -4.395 -6.449 7.596 1.00 0.00 C ATOM 793 NZ LYS A 50 -5.458 -7.488 7.690 1.00 0.00 N ATOM 0 H LYS A 50 -4.480 -2.426 12.410 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.792 -5.160 11.633 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.645 -4.139 10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.736 -2.672 10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.905 -4.024 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.233 -3.887 8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.080 -6.114 9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.773 -6.228 9.698 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.711 -5.668 6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.489 -6.893 7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.640 -7.885 6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.147 -8.246 8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.331 -7.059 8.059 1.00 0.00 H new ATOM 807 N PHE A 51 -1.818 -2.580 11.282 1.00 0.00 N ATOM 808 CA PHE A 51 -0.458 -2.171 10.951 1.00 0.00 C ATOM 809 C PHE A 51 0.527 -2.647 12.015 1.00 0.00 C ATOM 810 O PHE A 51 1.740 -2.602 11.817 1.00 0.00 O ATOM 811 CB PHE A 51 -0.380 -0.650 10.812 1.00 0.00 C ATOM 812 CG PHE A 51 -0.582 -0.166 9.404 1.00 0.00 C ATOM 813 CD1 PHE A 51 -1.423 -0.845 8.538 1.00 0.00 C ATOM 814 CD2 PHE A 51 0.068 0.969 8.948 1.00 0.00 C ATOM 815 CE1 PHE A 51 -1.610 -0.402 7.242 1.00 0.00 C ATOM 816 CE2 PHE A 51 -0.115 1.417 7.653 1.00 0.00 C ATOM 817 CZ PHE A 51 -0.956 0.731 6.800 1.00 0.00 C ATOM 0 H PHE A 51 -2.377 -1.857 11.735 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.188 -2.630 10.000 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.133 -0.195 11.456 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.592 -0.310 11.169 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.939 -1.731 8.879 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.726 1.510 9.612 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.267 -0.941 6.576 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.399 2.302 7.309 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.102 1.080 5.788 1.00 0.00 H new ATOM 827 N ASN A 52 -0.006 -3.102 13.145 1.00 0.00 N ATOM 828 CA ASN A 52 0.826 -3.585 14.241 1.00 0.00 C ATOM 829 C ASN A 52 1.642 -2.447 14.847 1.00 0.00 C ATOM 830 O ASN A 52 2.851 -2.573 15.044 1.00 0.00 O ATOM 831 CB ASN A 52 1.760 -4.693 13.751 1.00 0.00 C ATOM 832 CG ASN A 52 2.357 -5.494 14.892 1.00 0.00 C ATOM 833 OD1 ASN A 52 3.575 -5.630 14.999 1.00 0.00 O ATOM 834 ND2 ASN A 52 1.497 -6.028 15.752 1.00 0.00 N ATOM 0 H ASN A 52 -1.009 -3.146 13.325 1.00 0.00 H new ATOM 0 HA ASN A 52 0.169 -3.988 15.012 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.209 -5.362 13.090 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.564 -4.252 13.161 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.839 -6.577 16.541 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.495 -5.889 15.624 1.00 0.00 H new ATOM 841 N VAL A 53 0.973 -1.337 15.140 1.00 0.00 N ATOM 842 CA VAL A 53 1.635 -0.177 15.725 1.00 0.00 C ATOM 843 C VAL A 53 0.961 0.242 17.027 1.00 0.00 C ATOM 844 O VAL A 53 -0.037 -0.348 17.441 1.00 0.00 O ATOM 845 CB VAL A 53 1.637 1.017 14.753 1.00 0.00 C ATOM 846 CG1 VAL A 53 3.002 1.172 14.099 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.549 0.851 13.703 1.00 0.00 C ATOM 0 H VAL A 53 -0.027 -1.216 14.982 1.00 0.00 H new ATOM 0 HA VAL A 53 2.665 -0.470 15.931 1.00 0.00 H new ATOM 0 HB VAL A 53 1.428 1.924 15.320 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.984 2.021 13.416 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.756 1.341 14.867 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.245 0.265 13.545 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.565 1.704 13.025 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.725 -0.065 13.139 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.423 0.795 14.192 1.00 0.00 H new ATOM 857 N THR A 54 1.514 1.266 17.670 1.00 0.00 N ATOM 858 CA THR A 54 0.967 1.765 18.926 1.00 0.00 C ATOM 859 C THR A 54 0.585 3.236 18.813 1.00 0.00 C ATOM 860 O THR A 54 1.392 4.120 19.100 1.00 0.00 O ATOM 861 CB THR A 54 1.970 1.593 20.082 1.00 0.00 C ATOM 862 OG1 THR A 54 2.357 0.219 20.196 1.00 0.00 O ATOM 863 CG2 THR A 54 1.367 2.066 21.396 1.00 0.00 C ATOM 0 H THR A 54 2.340 1.766 17.342 1.00 0.00 H new ATOM 0 HA THR A 54 0.074 1.177 19.139 1.00 0.00 H new ATOM 0 HB THR A 54 2.849 2.200 19.864 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.996 0.119 20.932 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.094 1.935 22.198 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.101 3.120 21.316 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.473 1.482 21.617 1.00 0.00 H new ATOM 871 N ILE A 55 -0.650 3.491 18.395 1.00 0.00 N ATOM 872 CA ILE A 55 -1.139 4.856 18.247 1.00 0.00 C ATOM 873 C ILE A 55 -2.472 5.043 18.963 1.00 0.00 C ATOM 874 O ILE A 55 -3.300 4.133 19.003 1.00 0.00 O ATOM 875 CB ILE A 55 -1.308 5.236 16.764 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.180 4.629 15.928 1.00 0.00 C ATOM 877 CG2 ILE A 55 -1.338 6.749 16.605 1.00 0.00 C ATOM 878 CD1 ILE A 55 -0.615 3.442 15.097 1.00 0.00 C ATOM 0 H ILE A 55 -1.330 2.770 18.153 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.392 5.509 18.698 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.256 4.834 16.407 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.225 5.396 15.268 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.628 4.321 16.592 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.458 7.002 15.552 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.173 7.158 17.174 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.405 7.172 16.976 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.236 3.063 14.531 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.993 2.658 15.753 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.402 3.749 14.408 1.00 0.00 H new ATOM 890 N SER A 56 -2.674 6.230 19.526 1.00 0.00 N ATOM 891 CA SER A 56 -3.907 6.537 20.242 1.00 0.00 C ATOM 892 C SER A 56 -4.096 8.045 20.377 1.00 0.00 C ATOM 893 O SER A 56 -4.956 8.634 19.722 1.00 0.00 O ATOM 894 CB SER A 56 -3.891 5.887 21.628 1.00 0.00 C ATOM 895 OG SER A 56 -4.431 4.578 21.583 1.00 0.00 O ATOM 0 H SER A 56 -2.000 6.995 19.500 1.00 0.00 H new ATOM 0 HA SER A 56 -4.742 6.134 19.668 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.869 5.849 22.004 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.465 6.497 22.326 1.00 0.00 H new ATOM 0 HG SER A 56 -4.170 4.145 20.744 1.00 0.00 H new ATOM 901 N ASP A 57 -3.287 8.662 21.231 1.00 0.00 N ATOM 902 CA ASP A 57 -3.364 10.101 21.452 1.00 0.00 C ATOM 903 C ASP A 57 -3.111 10.865 20.156 1.00 0.00 C ATOM 904 O ASP A 57 -3.467 12.037 20.036 1.00 0.00 O ATOM 905 CB ASP A 57 -2.352 10.530 22.516 1.00 0.00 C ATOM 906 CG ASP A 57 -2.786 10.144 23.917 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.611 9.217 24.047 1.00 0.00 O ATOM 908 OD2 ASP A 57 -2.301 10.771 24.882 1.00 0.00 O ATOM 0 H ASP A 57 -2.571 8.188 21.781 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.369 10.336 21.801 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.386 10.074 22.299 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.213 11.610 22.466 1.00 0.00 H new ATOM 913 N GLN A 58 -2.495 10.192 19.189 1.00 0.00 N ATOM 914 CA GLN A 58 -2.194 10.808 17.903 1.00 0.00 C ATOM 915 C GLN A 58 -2.891 10.066 16.767 1.00 0.00 C ATOM 916 O GLN A 58 -2.757 10.432 15.599 1.00 0.00 O ATOM 917 CB GLN A 58 -0.683 10.827 17.663 1.00 0.00 C ATOM 918 CG GLN A 58 0.119 11.278 18.874 1.00 0.00 C ATOM 919 CD GLN A 58 -0.346 12.614 19.418 1.00 0.00 C ATOM 920 OE1 GLN A 58 -0.453 13.594 18.680 1.00 0.00 O ATOM 921 NE2 GLN A 58 -0.627 12.660 20.715 1.00 0.00 N ATOM 0 H GLN A 58 -2.195 9.221 19.272 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.564 11.833 17.925 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.357 9.828 17.373 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.465 11.490 16.825 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.041 10.524 19.658 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.172 11.348 18.602 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.524 11.823 21.289 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.946 13.532 21.137 1.00 0.00 H new ATOM 930 N ASP A 59 -3.635 9.023 17.118 1.00 0.00 N ATOM 931 CA ASP A 59 -4.355 8.230 16.128 1.00 0.00 C ATOM 932 C ASP A 59 -5.713 8.850 15.818 1.00 0.00 C ATOM 933 O ASP A 59 -6.476 8.324 15.008 1.00 0.00 O ATOM 934 CB ASP A 59 -4.537 6.796 16.628 1.00 0.00 C ATOM 935 CG ASP A 59 -4.387 5.773 15.519 1.00 0.00 C ATOM 936 OD1 ASP A 59 -3.591 6.019 14.588 1.00 0.00 O ATOM 937 OD2 ASP A 59 -5.063 4.726 15.582 1.00 0.00 O ATOM 0 H ASP A 59 -3.755 8.707 18.080 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.765 8.215 15.211 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.805 6.591 17.409 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.523 6.695 17.081 1.00 0.00 H new ATOM 942 N ALA A 60 -6.008 9.972 16.467 1.00 0.00 N ATOM 943 CA ALA A 60 -7.274 10.664 16.260 1.00 0.00 C ATOM 944 C ALA A 60 -7.046 12.083 15.749 1.00 0.00 C ATOM 945 O ALA A 60 -7.992 12.779 15.378 1.00 0.00 O ATOM 946 CB ALA A 60 -8.080 10.689 17.550 1.00 0.00 C ATOM 0 H ALA A 60 -5.387 10.421 17.140 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.838 10.119 15.503 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.023 11.209 17.380 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.282 9.668 17.873 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.514 11.208 18.323 1.00 0.00 H new ATOM 952 N LEU A 61 -5.787 12.506 15.733 1.00 0.00 N ATOM 953 CA LEU A 61 -5.435 13.843 15.268 1.00 0.00 C ATOM 954 C LEU A 61 -4.201 13.801 14.373 1.00 0.00 C ATOM 955 O LEU A 61 -3.192 14.446 14.657 1.00 0.00 O ATOM 956 CB LEU A 61 -5.183 14.769 16.460 1.00 0.00 C ATOM 957 CG LEU A 61 -4.458 14.145 17.653 1.00 0.00 C ATOM 958 CD1 LEU A 61 -3.481 15.138 18.262 1.00 0.00 C ATOM 959 CD2 LEU A 61 -5.459 13.670 18.696 1.00 0.00 C ATOM 0 H LEU A 61 -4.993 11.943 16.037 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.271 14.230 14.685 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.602 15.624 16.114 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.143 15.154 16.805 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.894 13.282 17.300 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.974 14.677 19.110 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.744 15.429 17.513 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.023 16.021 18.600 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.926 13.229 19.538 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.050 14.517 19.045 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.119 12.924 18.254 1.00 0.00 H new ATOM 971 N LYS A 62 -4.289 13.038 13.288 1.00 0.00 N ATOM 972 CA LYS A 62 -3.182 12.913 12.348 1.00 0.00 C ATOM 973 C LYS A 62 -3.672 12.413 10.993 1.00 0.00 C ATOM 974 O LYS A 62 -3.446 13.053 9.966 1.00 0.00 O ATOM 975 CB LYS A 62 -2.120 11.960 12.902 1.00 0.00 C ATOM 976 CG LYS A 62 -1.098 12.641 13.795 1.00 0.00 C ATOM 977 CD LYS A 62 0.263 11.973 13.695 1.00 0.00 C ATOM 978 CE LYS A 62 0.255 10.593 14.335 1.00 0.00 C ATOM 979 NZ LYS A 62 1.559 10.273 14.980 1.00 0.00 N ATOM 0 H LYS A 62 -5.117 12.497 13.038 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.740 13.900 12.213 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.613 11.169 13.466 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.602 11.483 12.070 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.011 13.691 13.515 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.442 12.615 14.829 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.551 11.888 12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.012 12.597 14.182 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.540 10.542 15.079 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.031 9.842 13.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.513 9.325 15.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.315 10.296 14.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.761 10.974 15.721 1.00 0.00 H new ATOM 993 N ILE A 63 -4.345 11.267 10.999 1.00 0.00 N ATOM 994 CA ILE A 63 -4.870 10.683 9.771 1.00 0.00 C ATOM 995 C ILE A 63 -5.927 11.585 9.142 1.00 0.00 C ATOM 996 O ILE A 63 -6.235 11.463 7.957 1.00 0.00 O ATOM 997 CB ILE A 63 -5.481 9.293 10.024 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.399 8.311 10.478 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.175 8.783 8.770 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.166 8.317 11.972 1.00 0.00 C ATOM 0 H ILE A 63 -4.539 10.725 11.841 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.029 10.580 9.086 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.224 9.378 10.817 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.679 7.305 10.166 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.465 8.553 9.972 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.602 7.799 8.965 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.969 9.474 8.487 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.452 8.710 7.958 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.386 7.597 12.222 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.855 9.313 12.288 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.088 8.045 12.485 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.477 12.490 9.943 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.500 13.414 9.465 1.00 0.00 C ATOM 1014 C ASN A 64 -7.085 14.045 8.139 1.00 0.00 C ATOM 1015 O ASN A 64 -7.906 14.223 7.239 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.757 14.506 10.505 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.661 15.555 10.524 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -6.919 16.741 10.319 1.00 0.00 O ATOM 1019 ND2 ASN A 64 -5.431 15.121 10.771 1.00 0.00 N ATOM 0 H ASN A 64 -6.232 12.604 10.927 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.419 12.850 9.307 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.713 14.986 10.295 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.839 14.052 11.492 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.653 15.780 10.797 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.264 14.128 10.935 1.00 0.00 H new ATOM 1026 N THR A 65 -5.804 14.383 8.026 1.00 0.00 N ATOM 1027 CA THR A 65 -5.279 14.995 6.812 1.00 0.00 C ATOM 1028 C THR A 65 -4.442 14.003 6.014 1.00 0.00 C ATOM 1029 O THR A 65 -3.493 13.416 6.534 1.00 0.00 O ATOM 1030 CB THR A 65 -4.421 16.233 7.133 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.121 15.826 7.577 1.00 0.00 O ATOM 1032 CG2 THR A 65 -5.083 17.089 8.202 1.00 0.00 C ATOM 0 H THR A 65 -5.111 14.243 8.761 1.00 0.00 H new ATOM 0 HA THR A 65 -6.138 15.303 6.216 1.00 0.00 H new ATOM 0 HB THR A 65 -4.325 16.827 6.224 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.581 16.619 7.778 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.458 17.957 8.411 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.059 17.421 7.849 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.207 16.503 9.113 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.798 13.819 4.746 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.078 12.898 3.875 1.00 0.00 C ATOM 1042 C VAL A 66 -2.570 13.082 4.008 1.00 0.00 C ATOM 1043 O VAL A 66 -1.805 12.129 3.867 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.480 13.090 2.401 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.672 12.166 1.502 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -5.972 12.853 2.220 1.00 0.00 C ATOM 0 H VAL A 66 -5.581 14.296 4.299 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.347 11.889 4.188 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.262 14.119 2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.970 12.316 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.611 12.389 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.856 11.130 1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.238 12.993 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.218 11.836 2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.530 13.560 2.834 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.152 14.314 4.279 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.735 14.622 4.431 1.00 0.00 C ATOM 1058 C GLN A 67 -0.166 13.969 5.686 1.00 0.00 C ATOM 1059 O GLN A 67 0.765 13.167 5.614 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.524 16.136 4.489 1.00 0.00 C ATOM 1061 CG GLN A 67 0.910 16.540 4.792 1.00 0.00 C ATOM 1062 CD GLN A 67 1.870 16.157 3.684 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.136 16.947 2.777 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.397 14.940 3.750 1.00 0.00 N ATOM 0 H GLN A 67 -2.773 15.114 4.398 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.208 14.221 3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.822 16.573 3.536 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.180 16.557 5.251 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.954 17.618 4.950 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.228 16.068 5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.149 14.318 4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.050 14.627 3.031 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.733 14.317 6.836 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.283 13.764 8.109 1.00 0.00 C ATOM 1075 C ASP A 68 -0.493 12.254 8.149 1.00 0.00 C ATOM 1076 O ASP A 68 0.251 11.531 8.811 1.00 0.00 O ATOM 1077 CB ASP A 68 -1.027 14.427 9.269 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.491 15.809 9.587 1.00 0.00 C ATOM 1079 OD1 ASP A 68 0.447 16.254 8.894 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -1.009 16.444 10.530 1.00 0.00 O ATOM 0 H ASP A 68 -1.505 14.979 6.913 1.00 0.00 H new ATOM 0 HA ASP A 68 0.783 13.967 8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.086 14.499 9.023 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.948 13.797 10.155 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.513 11.784 7.438 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.821 10.360 7.392 1.00 0.00 C ATOM 1087 C ALA A 69 -0.648 9.563 6.834 1.00 0.00 C ATOM 1088 O ALA A 69 -0.071 8.723 7.525 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.071 10.117 6.559 1.00 0.00 C ATOM 0 H ALA A 69 -2.140 12.369 6.886 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.005 10.020 8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.289 9.049 6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.913 10.649 7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.908 10.479 5.544 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.300 9.830 5.580 1.00 0.00 N ATOM 1096 CA ILE A 70 0.805 9.137 4.930 1.00 0.00 C ATOM 1097 C ILE A 70 2.090 9.269 5.741 1.00 0.00 C ATOM 1098 O ILE A 70 2.913 8.353 5.772 1.00 0.00 O ATOM 1099 CB ILE A 70 1.051 9.678 3.509 1.00 0.00 C ATOM 1100 CG1 ILE A 70 1.277 11.191 3.547 1.00 0.00 C ATOM 1101 CG2 ILE A 70 -0.121 9.335 2.601 1.00 0.00 C ATOM 1102 CD1 ILE A 70 1.466 11.809 2.180 1.00 0.00 C ATOM 0 H ILE A 70 -0.767 10.521 4.994 1.00 0.00 H new ATOM 0 HA ILE A 70 0.524 8.086 4.866 1.00 0.00 H new ATOM 0 HB ILE A 70 1.947 9.206 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.426 11.665 4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.155 11.404 4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.068 9.724 1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.239 8.253 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.032 9.782 2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.621 12.883 2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.334 11.362 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.579 11.628 1.573 1.00 0.00 H new ATOM 1114 N ASP A 71 2.254 10.412 6.397 1.00 0.00 N ATOM 1115 CA ASP A 71 3.438 10.663 7.211 1.00 0.00 C ATOM 1116 C ASP A 71 3.352 9.917 8.539 1.00 0.00 C ATOM 1117 O ASP A 71 4.369 9.642 9.175 1.00 0.00 O ATOM 1118 CB ASP A 71 3.600 12.163 7.464 1.00 0.00 C ATOM 1119 CG ASP A 71 4.979 12.667 7.085 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.941 11.873 7.149 1.00 0.00 O ATOM 1121 OD2 ASP A 71 5.096 13.857 6.723 1.00 0.00 O ATOM 0 H ASP A 71 1.582 11.180 6.381 1.00 0.00 H new ATOM 0 HA ASP A 71 4.308 10.298 6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.848 12.708 6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.416 12.373 8.518 1.00 0.00 H new ATOM 1126 N TYR A 72 2.131 9.593 8.952 1.00 0.00 N ATOM 1127 CA TYR A 72 1.912 8.882 10.206 1.00 0.00 C ATOM 1128 C TYR A 72 2.235 7.399 10.055 1.00 0.00 C ATOM 1129 O TYR A 72 2.633 6.738 11.015 1.00 0.00 O ATOM 1130 CB TYR A 72 0.465 9.056 10.668 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.234 7.750 10.975 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.014 7.070 12.162 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.140 7.196 10.080 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.621 5.876 12.446 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.780 6.004 10.357 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.517 5.348 11.541 1.00 0.00 C ATOM 1137 OH TYR A 72 -2.152 4.159 11.820 1.00 0.00 O ATOM 0 H TYR A 72 1.278 9.812 8.437 1.00 0.00 H new ATOM 0 HA TYR A 72 2.580 9.306 10.956 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.450 9.685 11.558 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.093 9.584 9.895 1.00 0.00 H new ATOM 0 HD1 TYR A 72 0.714 7.482 12.874 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.348 7.706 9.151 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.416 5.359 13.372 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.483 5.588 9.650 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.034 4.151 11.393 1.00 0.00 H new ATOM 1147 N ILE A 73 2.062 6.883 8.842 1.00 0.00 N ATOM 1148 CA ILE A 73 2.337 5.479 8.564 1.00 0.00 C ATOM 1149 C ILE A 73 3.794 5.272 8.167 1.00 0.00 C ATOM 1150 O ILE A 73 4.354 4.194 8.363 1.00 0.00 O ATOM 1151 CB ILE A 73 1.429 4.939 7.443 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.780 5.603 6.109 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.034 5.172 7.788 1.00 0.00 C ATOM 1154 CD1 ILE A 73 1.117 4.949 4.917 1.00 0.00 C ATOM 0 H ILE A 73 1.733 7.416 8.037 1.00 0.00 H new ATOM 0 HA ILE A 73 2.132 4.929 9.483 1.00 0.00 H new ATOM 0 HB ILE A 73 1.593 3.866 7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.488 6.653 6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.861 5.578 5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.663 4.785 6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.275 4.658 8.718 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.214 6.240 7.907 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.410 5.471 4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.428 3.906 4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.034 4.998 5.031 1.00 0.00 H new ATOM 1166 N GLU A 74 4.404 6.313 7.608 1.00 0.00 N ATOM 1167 CA GLU A 74 5.797 6.245 7.185 1.00 0.00 C ATOM 1168 C GLU A 74 6.735 6.549 8.349 1.00 0.00 C ATOM 1169 O GLU A 74 7.889 6.119 8.361 1.00 0.00 O ATOM 1170 CB GLU A 74 6.053 7.227 6.039 1.00 0.00 C ATOM 1171 CG GLU A 74 5.301 6.884 4.764 1.00 0.00 C ATOM 1172 CD GLU A 74 6.227 6.531 3.617 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.979 7.420 3.166 1.00 0.00 O ATOM 1174 OE2 GLU A 74 6.201 5.365 3.170 1.00 0.00 O ATOM 0 H GLU A 74 3.955 7.213 7.438 1.00 0.00 H new ATOM 0 HA GLU A 74 5.995 5.231 6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.769 8.229 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.122 7.252 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.631 6.046 4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.678 7.730 4.475 1.00 0.00 H new ATOM 1181 N LYS A 75 6.233 7.296 9.327 1.00 0.00 N ATOM 1182 CA LYS A 75 7.023 7.658 10.497 1.00 0.00 C ATOM 1183 C LYS A 75 6.905 6.595 11.585 1.00 0.00 C ATOM 1184 O LYS A 75 7.869 6.308 12.292 1.00 0.00 O ATOM 1185 CB LYS A 75 6.572 9.015 11.043 1.00 0.00 C ATOM 1186 CG LYS A 75 5.277 8.951 11.834 1.00 0.00 C ATOM 1187 CD LYS A 75 4.678 10.333 12.037 1.00 0.00 C ATOM 1188 CE LYS A 75 5.464 11.135 13.063 1.00 0.00 C ATOM 1189 NZ LYS A 75 5.658 12.548 12.632 1.00 0.00 N ATOM 0 H LYS A 75 5.281 7.663 9.332 1.00 0.00 H new ATOM 0 HA LYS A 75 8.067 7.725 10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.358 9.420 11.680 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.446 9.709 10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.561 8.317 11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.464 8.489 12.803 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.665 10.868 11.088 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.642 10.238 12.364 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.940 11.115 14.018 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.436 10.667 13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.198 13.061 13.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.180 12.568 11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.731 13.002 12.504 1.00 0.00 H new ATOM 1203 N ASN A 76 5.716 6.015 11.711 1.00 0.00 N ATOM 1204 CA ASN A 76 5.472 4.983 12.712 1.00 0.00 C ATOM 1205 C ASN A 76 5.920 3.615 12.204 1.00 0.00 C ATOM 1206 O ASN A 76 6.973 3.113 12.593 1.00 0.00 O ATOM 1207 CB ASN A 76 3.987 4.941 13.080 1.00 0.00 C ATOM 1208 CG ASN A 76 3.559 6.148 13.892 1.00 0.00 C ATOM 1209 OD1 ASN A 76 4.369 7.023 14.199 1.00 0.00 O ATOM 1210 ND2 ASN A 76 2.280 6.200 14.245 1.00 0.00 N ATOM 0 H ASN A 76 4.907 6.242 11.133 1.00 0.00 H new ATOM 0 HA ASN A 76 6.053 5.229 13.601 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.391 4.889 12.169 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.781 4.033 13.647 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.934 6.988 14.793 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.644 5.452 13.968 1.00 0.00 H new ATOM 1217 N ASN A 77 5.112 3.020 11.333 1.00 0.00 N ATOM 1218 CA ASN A 77 5.425 1.711 10.772 1.00 0.00 C ATOM 1219 C ASN A 77 6.341 1.844 9.559 1.00 0.00 C ATOM 1220 O ASN A 77 5.876 1.977 8.427 1.00 0.00 O ATOM 1221 CB ASN A 77 4.139 0.982 10.376 1.00 0.00 C ATOM 1222 CG ASN A 77 3.193 1.866 9.587 1.00 0.00 C ATOM 1223 OD1 ASN A 77 2.564 2.769 10.140 1.00 0.00 O ATOM 1224 ND2 ASN A 77 3.087 1.610 8.289 1.00 0.00 N ATOM 0 H ASN A 77 4.236 3.423 11.000 1.00 0.00 H new ATOM 0 HA ASN A 77 5.944 1.131 11.535 1.00 0.00 H new ATOM 0 HB2 ASN A 77 4.391 0.103 9.782 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.635 0.626 11.275 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.465 2.172 7.708 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.627 0.852 7.873 1.00 0.00 H new