USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 11 THR OG1 : rot 180:sc=-0.00535 USER MOD Set 1.2: A 15 TYR OH : rot 180:sc= -0.263 USER MOD Single : A 1 SER N :NH3+ 150:sc= 0.113 (180deg=0.00959) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0569 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -1.19! K(o=-1.2!,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.96 K(o=-0.96,f=-1.7!) USER MOD Single : A 18 HIS : no HD1:sc= -0.777 K(o=-0.78,f=-0.18) USER MOD Single : A 19 GLN : amide:sc= -0.0764 K(o=-0.076,f=-2.4) USER MOD Single : A 20 SER OG : rot 180:sc= 0.154 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.74) USER MOD Single : A 38 SER OG : rot 59:sc= 0.555 USER MOD Single : A 42 GLN : amide:sc= -1.79 K(o=-1.8,f=-1.2!) USER MOD Single : A 44 HIS : no HD1:sc= -8.01! C(o=-8!,f=-11!) USER MOD Single : A 45 SER OG : rot 6:sc= 0.415 USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= -0.15 (180deg=-0.483) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.051 -5.526 -2.741 1.00 0.00 N ATOM 2 CA SER A 1 12.821 -4.097 -2.423 1.00 0.00 C ATOM 3 C SER A 1 11.895 -3.973 -1.221 1.00 0.00 C ATOM 4 O SER A 1 10.695 -3.859 -1.367 1.00 0.00 O ATOM 5 CB SER A 1 12.162 -3.392 -3.622 1.00 0.00 C ATOM 6 OG SER A 1 13.030 -3.676 -4.709 1.00 0.00 O ATOM 0 H1 SER A 1 13.218 -5.632 -3.762 1.00 0.00 H new ATOM 0 H2 SER A 1 13.881 -5.869 -2.217 1.00 0.00 H new ATOM 0 H3 SER A 1 12.215 -6.081 -2.468 1.00 0.00 H new ATOM 0 HA SER A 1 13.782 -3.634 -2.200 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.157 -3.772 -3.805 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.072 -2.319 -3.453 1.00 0.00 H new ATOM 0 HG SER A 1 12.680 -3.260 -5.524 1.00 0.00 H new ATOM 14 N TYR A 2 12.469 -3.999 -0.048 1.00 0.00 N ATOM 15 CA TYR A 2 11.637 -3.884 1.173 1.00 0.00 C ATOM 16 C TYR A 2 10.735 -2.657 1.100 1.00 0.00 C ATOM 17 O TYR A 2 10.864 -1.841 0.208 1.00 0.00 O ATOM 18 CB TYR A 2 12.572 -3.741 2.385 1.00 0.00 C ATOM 19 CG TYR A 2 13.765 -4.688 2.220 1.00 0.00 C ATOM 20 CD1 TYR A 2 13.635 -6.034 2.495 1.00 0.00 C ATOM 21 CD2 TYR A 2 14.988 -4.207 1.795 1.00 0.00 C ATOM 22 CE1 TYR A 2 14.711 -6.887 2.348 1.00 0.00 C ATOM 23 CE2 TYR A 2 16.063 -5.060 1.648 1.00 0.00 C ATOM 24 CZ TYR A 2 15.933 -6.406 1.923 1.00 0.00 C ATOM 25 OH TYR A 2 17.009 -7.259 1.778 1.00 0.00 O ATOM 0 H TYR A 2 13.472 -4.094 0.112 1.00 0.00 H new ATOM 0 HA TYR A 2 11.011 -4.772 1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 2 12.920 -2.712 2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 2 12.033 -3.973 3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 2 12.684 -6.423 2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 2 15.104 -3.156 1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 2 14.596 -7.938 2.567 1.00 0.00 H new ATOM 0 HE2 TYR A 2 17.014 -4.671 1.315 1.00 0.00 H new ATOM 0 HH TYR A 2 17.789 -6.752 1.470 1.00 0.00 H new ATOM 35 N GLN A 3 9.837 -2.547 2.041 1.00 0.00 N ATOM 36 CA GLN A 3 8.919 -1.380 2.041 1.00 0.00 C ATOM 37 C GLN A 3 9.518 -0.212 2.816 1.00 0.00 C ATOM 38 O GLN A 3 9.704 -0.292 4.014 1.00 0.00 O ATOM 39 CB GLN A 3 7.603 -1.800 2.712 1.00 0.00 C ATOM 40 CG GLN A 3 6.523 -1.948 1.640 1.00 0.00 C ATOM 41 CD GLN A 3 5.285 -2.601 2.253 1.00 0.00 C ATOM 42 OE1 GLN A 3 5.315 -3.739 2.676 1.00 0.00 O ATOM 43 NE2 GLN A 3 4.178 -1.916 2.320 1.00 0.00 N ATOM 0 H GLN A 3 9.702 -3.211 2.803 1.00 0.00 H new ATOM 0 HA GLN A 3 8.751 -1.061 1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.736 -2.741 3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.302 -1.056 3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 3 6.267 -0.971 1.229 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.896 -2.554 0.814 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.148 -0.960 1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.342 -2.336 2.726 1.00 0.00 H new ATOM 52 N VAL A 4 9.806 0.853 2.108 1.00 0.00 N ATOM 53 CA VAL A 4 10.395 2.052 2.764 1.00 0.00 C ATOM 54 C VAL A 4 9.463 3.249 2.631 1.00 0.00 C ATOM 55 O VAL A 4 9.619 4.242 3.315 1.00 0.00 O ATOM 56 CB VAL A 4 11.714 2.382 2.047 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.508 3.380 2.884 1.00 0.00 C ATOM 58 CG2 VAL A 4 12.531 1.097 1.884 1.00 0.00 C ATOM 0 H VAL A 4 9.657 0.940 1.103 1.00 0.00 H new ATOM 0 HA VAL A 4 10.554 1.844 3.822 1.00 0.00 H new ATOM 0 HB VAL A 4 11.503 2.812 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.444 3.616 2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.925 4.292 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.723 2.946 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.468 1.324 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.744 0.674 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.963 0.377 1.294 1.00 0.00 H new ATOM 68 N ILE A 5 8.504 3.126 1.751 1.00 0.00 N ATOM 69 CA ILE A 5 7.547 4.234 1.545 1.00 0.00 C ATOM 70 C ILE A 5 6.220 3.976 2.262 1.00 0.00 C ATOM 71 O ILE A 5 6.010 2.927 2.837 1.00 0.00 O ATOM 72 CB ILE A 5 7.276 4.334 0.051 1.00 0.00 C ATOM 73 CG1 ILE A 5 7.074 2.944 -0.527 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.497 4.977 -0.630 1.00 0.00 C ATOM 75 CD1 ILE A 5 5.947 2.990 -1.560 1.00 0.00 C ATOM 0 H ILE A 5 8.348 2.303 1.169 1.00 0.00 H new ATOM 0 HA ILE A 5 7.976 5.152 1.948 1.00 0.00 H new ATOM 0 HB ILE A 5 6.382 4.934 -0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.995 2.592 -0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.828 2.239 0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.317 5.055 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.662 5.972 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.378 4.360 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.797 1.995 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.027 3.324 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.213 3.683 -2.358 1.00 0.00 H new ATOM 87 N CYS A 6 5.349 4.954 2.209 1.00 0.00 N ATOM 88 CA CYS A 6 4.023 4.812 2.873 1.00 0.00 C ATOM 89 C CYS A 6 2.941 5.418 1.991 1.00 0.00 C ATOM 90 O CYS A 6 2.886 6.615 1.821 1.00 0.00 O ATOM 91 CB CYS A 6 4.054 5.576 4.206 1.00 0.00 C ATOM 92 SG CYS A 6 4.049 4.598 5.728 1.00 0.00 S ATOM 0 H CYS A 6 5.502 5.843 1.734 1.00 0.00 H new ATOM 0 HA CYS A 6 3.811 3.756 3.041 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.944 6.205 4.213 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.192 6.243 4.232 1.00 0.00 H new ATOM 97 N ARG A 7 2.090 4.586 1.458 1.00 0.00 N ATOM 98 CA ARG A 7 1.011 5.107 0.584 1.00 0.00 C ATOM 99 C ARG A 7 -0.252 5.474 1.364 1.00 0.00 C ATOM 100 O ARG A 7 -0.887 4.625 1.958 1.00 0.00 O ATOM 101 CB ARG A 7 0.659 4.003 -0.413 1.00 0.00 C ATOM 102 CG ARG A 7 -0.319 4.551 -1.449 1.00 0.00 C ATOM 103 CD ARG A 7 -0.394 3.579 -2.628 1.00 0.00 C ATOM 104 NE ARG A 7 -1.808 3.476 -3.086 1.00 0.00 N ATOM 105 CZ ARG A 7 -2.235 2.355 -3.597 1.00 0.00 C ATOM 106 NH1 ARG A 7 -1.971 2.090 -4.848 1.00 0.00 N ATOM 107 NH2 ARG A 7 -2.914 1.536 -2.841 1.00 0.00 N ATOM 0 H ARG A 7 2.097 3.575 1.591 1.00 0.00 H new ATOM 0 HA ARG A 7 1.369 6.014 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.562 3.640 -0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.216 3.154 0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.306 4.680 -1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.007 5.533 -1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.241 3.927 -3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.023 2.598 -2.331 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.436 4.275 -3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.439 2.755 -5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.297 1.218 -5.264 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.102 1.778 -1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.256 0.654 -3.223 1.00 0.00 H new ATOM 121 N ASP A 8 -0.588 6.745 1.341 1.00 0.00 N ATOM 122 CA ASP A 8 -1.805 7.206 2.067 1.00 0.00 C ATOM 123 C ASP A 8 -2.946 7.463 1.077 1.00 0.00 C ATOM 124 O ASP A 8 -2.819 8.276 0.179 1.00 0.00 O ATOM 125 CB ASP A 8 -1.465 8.512 2.796 1.00 0.00 C ATOM 126 CG ASP A 8 -2.556 8.816 3.822 1.00 0.00 C ATOM 127 OD1 ASP A 8 -3.660 9.062 3.375 1.00 0.00 O ATOM 128 OD2 ASP A 8 -2.221 8.787 4.994 1.00 0.00 O ATOM 0 H ASP A 8 -0.071 7.475 0.852 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.122 6.441 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.498 8.424 3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.384 9.331 2.081 1.00 0.00 H new ATOM 133 N GLU A 9 -4.045 6.766 1.263 1.00 0.00 N ATOM 134 CA GLU A 9 -5.202 6.949 0.346 1.00 0.00 C ATOM 135 C GLU A 9 -6.123 8.088 0.791 1.00 0.00 C ATOM 136 O GLU A 9 -7.078 8.412 0.113 1.00 0.00 O ATOM 137 CB GLU A 9 -6.006 5.639 0.342 1.00 0.00 C ATOM 138 CG GLU A 9 -6.629 5.424 1.725 1.00 0.00 C ATOM 139 CD GLU A 9 -7.197 4.005 1.812 1.00 0.00 C ATOM 140 OE1 GLU A 9 -6.402 3.117 2.071 1.00 0.00 O ATOM 141 OE2 GLU A 9 -8.397 3.889 1.616 1.00 0.00 O ATOM 0 H GLU A 9 -4.184 6.083 2.008 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.822 7.202 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.786 5.680 -0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.357 4.801 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.879 5.576 2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.419 6.155 1.898 1.00 0.00 H new ATOM 148 N LYS A 10 -5.826 8.677 1.915 1.00 0.00 N ATOM 149 CA LYS A 10 -6.684 9.792 2.401 1.00 0.00 C ATOM 150 C LYS A 10 -6.277 11.093 1.740 1.00 0.00 C ATOM 151 O LYS A 10 -6.968 12.089 1.829 1.00 0.00 O ATOM 152 CB LYS A 10 -6.486 9.926 3.917 1.00 0.00 C ATOM 153 CG LYS A 10 -7.834 9.793 4.623 1.00 0.00 C ATOM 154 CD LYS A 10 -8.309 8.340 4.528 1.00 0.00 C ATOM 155 CE LYS A 10 -9.825 8.326 4.298 1.00 0.00 C ATOM 156 NZ LYS A 10 -10.397 6.997 4.655 1.00 0.00 N ATOM 0 H LYS A 10 -5.035 8.438 2.513 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.726 9.581 2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.800 9.158 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.035 10.890 4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.742 10.091 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.566 10.458 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.799 7.830 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.062 7.802 5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.297 9.104 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.042 8.553 3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.424 7.006 4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.960 6.261 4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.207 6.795 5.657 1.00 0.00 H new ATOM 170 N THR A 11 -5.157 11.052 1.092 1.00 0.00 N ATOM 171 CA THR A 11 -4.652 12.258 0.402 1.00 0.00 C ATOM 172 C THR A 11 -4.101 11.862 -0.948 1.00 0.00 C ATOM 173 O THR A 11 -3.909 12.689 -1.814 1.00 0.00 O ATOM 174 CB THR A 11 -3.528 12.858 1.244 1.00 0.00 C ATOM 175 OG1 THR A 11 -2.356 12.709 0.468 1.00 0.00 O ATOM 176 CG2 THR A 11 -3.279 12.001 2.488 1.00 0.00 C ATOM 0 H THR A 11 -4.564 10.226 1.010 1.00 0.00 H new ATOM 0 HA THR A 11 -5.455 12.983 0.270 1.00 0.00 H new ATOM 0 HB THR A 11 -3.776 13.882 1.523 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.591 13.079 0.956 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.475 12.441 3.078 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.188 11.958 3.088 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.996 10.993 2.185 1.00 0.00 H new ATOM 184 N GLN A 12 -3.841 10.585 -1.081 1.00 0.00 N ATOM 185 CA GLN A 12 -3.295 10.051 -2.355 1.00 0.00 C ATOM 186 C GLN A 12 -1.869 10.492 -2.524 1.00 0.00 C ATOM 187 O GLN A 12 -1.459 10.889 -3.599 1.00 0.00 O ATOM 188 CB GLN A 12 -4.126 10.570 -3.554 1.00 0.00 C ATOM 189 CG GLN A 12 -5.615 10.568 -3.195 1.00 0.00 C ATOM 190 CD GLN A 12 -6.434 10.288 -4.460 1.00 0.00 C ATOM 191 OE1 GLN A 12 -6.250 10.918 -5.483 1.00 0.00 O ATOM 192 NE2 GLN A 12 -7.346 9.355 -4.433 1.00 0.00 N ATOM 0 H GLN A 12 -3.987 9.888 -0.351 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.345 8.963 -2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.808 11.578 -3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.953 9.941 -4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.819 9.809 -2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.900 11.529 -2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.506 8.822 -3.578 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.899 9.158 -5.267 1.00 0.00 H new ATOM 201 N MET A 13 -1.133 10.421 -1.449 1.00 0.00 N ATOM 202 CA MET A 13 0.277 10.828 -1.502 1.00 0.00 C ATOM 203 C MET A 13 1.153 9.815 -0.793 1.00 0.00 C ATOM 204 O MET A 13 0.789 9.292 0.243 1.00 0.00 O ATOM 205 CB MET A 13 0.412 12.175 -0.787 1.00 0.00 C ATOM 206 CG MET A 13 1.792 12.751 -1.071 1.00 0.00 C ATOM 207 SD MET A 13 2.150 13.246 -2.777 1.00 0.00 S ATOM 208 CE MET A 13 3.869 13.747 -2.515 1.00 0.00 C ATOM 0 H MET A 13 -1.459 10.096 -0.539 1.00 0.00 H new ATOM 0 HA MET A 13 0.592 10.899 -2.543 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.361 12.863 -1.130 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.271 12.047 0.286 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.933 13.622 -0.430 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.535 12.011 -0.771 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.294 14.094 -3.457 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.905 14.552 -1.781 1.00 0.00 H new ATOM 0 HE3 MET A 13 4.444 12.896 -2.149 1.00 0.00 H new ATOM 218 N ILE A 14 2.295 9.551 -1.368 1.00 0.00 N ATOM 219 CA ILE A 14 3.214 8.578 -0.751 1.00 0.00 C ATOM 220 C ILE A 14 4.314 9.295 0.014 1.00 0.00 C ATOM 221 O ILE A 14 4.779 10.341 -0.397 1.00 0.00 O ATOM 222 CB ILE A 14 3.833 7.748 -1.862 1.00 0.00 C ATOM 223 CG1 ILE A 14 2.722 7.220 -2.762 1.00 0.00 C ATOM 224 CG2 ILE A 14 4.576 6.554 -1.228 1.00 0.00 C ATOM 225 CD1 ILE A 14 3.280 6.138 -3.683 1.00 0.00 C ATOM 0 H ILE A 14 2.623 9.971 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 14 2.666 7.946 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 14 4.525 8.355 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.912 6.814 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.301 8.034 -3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.027 5.947 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.356 6.923 -0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.871 5.947 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.484 5.762 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.075 6.559 -4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.679 5.320 -3.083 1.00 0.00 H new ATOM 237 N TYR A 15 4.711 8.711 1.117 1.00 0.00 N ATOM 238 CA TYR A 15 5.782 9.331 1.942 1.00 0.00 C ATOM 239 C TYR A 15 6.921 8.348 2.190 1.00 0.00 C ATOM 240 O TYR A 15 6.788 7.168 1.950 1.00 0.00 O ATOM 241 CB TYR A 15 5.168 9.725 3.289 1.00 0.00 C ATOM 242 CG TYR A 15 3.954 10.623 3.047 1.00 0.00 C ATOM 243 CD1 TYR A 15 2.696 10.075 2.889 1.00 0.00 C ATOM 244 CD2 TYR A 15 4.098 11.993 2.990 1.00 0.00 C ATOM 245 CE1 TYR A 15 1.600 10.888 2.677 1.00 0.00 C ATOM 246 CE2 TYR A 15 3.003 12.805 2.778 1.00 0.00 C ATOM 247 CZ TYR A 15 1.746 12.260 2.620 1.00 0.00 C ATOM 248 OH TYR A 15 0.651 13.073 2.407 1.00 0.00 O ATOM 0 H TYR A 15 4.338 7.833 1.478 1.00 0.00 H new ATOM 0 HA TYR A 15 6.185 10.197 1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.871 8.833 3.841 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.905 10.247 3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.569 9.003 2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.076 12.434 3.112 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.621 10.448 2.555 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.131 13.877 2.735 1.00 0.00 H new ATOM 0 HH TYR A 15 0.937 14.010 2.397 1.00 0.00 H new ATOM 258 N GLN A 16 8.024 8.858 2.676 1.00 0.00 N ATOM 259 CA GLN A 16 9.183 7.978 2.948 1.00 0.00 C ATOM 260 C GLN A 16 9.061 7.322 4.308 1.00 0.00 C ATOM 261 O GLN A 16 8.033 7.391 4.951 1.00 0.00 O ATOM 262 CB GLN A 16 10.452 8.839 2.938 1.00 0.00 C ATOM 263 CG GLN A 16 10.390 9.825 1.771 1.00 0.00 C ATOM 264 CD GLN A 16 11.733 10.551 1.657 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.061 11.118 0.634 1.00 0.00 O ATOM 266 NE2 GLN A 16 12.537 10.557 2.686 1.00 0.00 N ATOM 0 H GLN A 16 8.165 9.845 2.893 1.00 0.00 H new ATOM 0 HA GLN A 16 9.222 7.200 2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.545 9.379 3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.334 8.205 2.846 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.168 9.297 0.844 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.586 10.544 1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.266 10.082 3.547 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.436 11.036 2.628 1.00 0.00 H new ATOM 275 N GLN A 17 10.120 6.700 4.719 1.00 0.00 N ATOM 276 CA GLN A 17 10.108 6.024 6.034 1.00 0.00 C ATOM 277 C GLN A 17 10.281 7.026 7.166 1.00 0.00 C ATOM 278 O GLN A 17 10.919 8.048 6.999 1.00 0.00 O ATOM 279 CB GLN A 17 11.274 5.025 6.086 1.00 0.00 C ATOM 280 CG GLN A 17 11.032 4.041 7.235 1.00 0.00 C ATOM 281 CD GLN A 17 12.261 3.148 7.407 1.00 0.00 C ATOM 282 OE1 GLN A 17 13.355 3.494 7.007 1.00 0.00 O ATOM 283 NE2 GLN A 17 12.124 1.991 7.996 1.00 0.00 N ATOM 0 H GLN A 17 10.995 6.630 4.200 1.00 0.00 H new ATOM 0 HA GLN A 17 9.150 5.518 6.155 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.353 4.489 5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.216 5.553 6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.832 4.585 8.158 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.152 3.432 7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.208 1.696 8.334 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.933 1.382 8.119 1.00 0.00 H new ATOM 292 N HIS A 18 9.703 6.722 8.299 1.00 0.00 N ATOM 293 CA HIS A 18 9.826 7.647 9.454 1.00 0.00 C ATOM 294 C HIS A 18 9.402 9.053 9.076 1.00 0.00 C ATOM 295 O HIS A 18 9.752 10.010 9.737 1.00 0.00 O ATOM 296 CB HIS A 18 11.293 7.662 9.899 1.00 0.00 C ATOM 297 CG HIS A 18 11.731 6.227 10.196 1.00 0.00 C ATOM 298 ND1 HIS A 18 12.876 5.772 9.996 1.00 0.00 N ATOM 299 CD2 HIS A 18 11.001 5.171 10.714 1.00 0.00 C ATOM 300 CE1 HIS A 18 12.956 4.549 10.327 1.00 0.00 C ATOM 301 NE2 HIS A 18 11.802 4.075 10.799 1.00 0.00 N ATOM 0 H HIS A 18 9.156 5.878 8.470 1.00 0.00 H new ATOM 0 HA HIS A 18 9.176 7.304 10.259 1.00 0.00 H new ATOM 0 HB2 HIS A 18 11.920 8.094 9.119 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.412 8.285 10.786 1.00 0.00 H new ATOM 0 HD2 HIS A 18 9.962 5.211 11.004 1.00 0.00 H new ATOM 0 HE1 HIS A 18 13.856 3.959 10.237 1.00 0.00 H new ATOM 0 HE2 HIS A 18 11.579 3.138 11.135 1.00 0.00 H new ATOM 309 N GLN A 19 8.648 9.157 8.019 1.00 0.00 N ATOM 310 CA GLN A 19 8.192 10.493 7.588 1.00 0.00 C ATOM 311 C GLN A 19 6.861 10.824 8.243 1.00 0.00 C ATOM 312 O GLN A 19 5.916 10.069 8.148 1.00 0.00 O ATOM 313 CB GLN A 19 8.016 10.482 6.065 1.00 0.00 C ATOM 314 CG GLN A 19 7.873 11.927 5.574 1.00 0.00 C ATOM 315 CD GLN A 19 9.209 12.399 5.001 1.00 0.00 C ATOM 316 OE1 GLN A 19 9.792 11.762 4.147 1.00 0.00 O ATOM 317 NE2 GLN A 19 9.730 13.510 5.443 1.00 0.00 N ATOM 0 H GLN A 19 8.333 8.377 7.442 1.00 0.00 H new ATOM 0 HA GLN A 19 8.928 11.243 7.880 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.873 10.005 5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.135 9.901 5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.095 11.990 4.813 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.568 12.574 6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.246 14.050 6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.621 13.839 5.071 1.00 0.00 H new ATOM 326 N SER A 20 6.815 11.942 8.906 1.00 0.00 N ATOM 327 CA SER A 20 5.562 12.339 9.577 1.00 0.00 C ATOM 328 C SER A 20 4.661 13.194 8.693 1.00 0.00 C ATOM 329 O SER A 20 5.097 14.142 8.073 1.00 0.00 O ATOM 330 CB SER A 20 5.937 13.152 10.818 1.00 0.00 C ATOM 331 OG SER A 20 7.110 13.853 10.428 1.00 0.00 O ATOM 0 H SER A 20 7.593 12.594 9.009 1.00 0.00 H new ATOM 0 HA SER A 20 5.008 11.433 9.823 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.139 13.837 11.103 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.124 12.507 11.676 1.00 0.00 H new ATOM 0 HG SER A 20 7.422 14.408 11.173 1.00 0.00 H new ATOM 337 N TRP A 21 3.410 12.824 8.663 1.00 0.00 N ATOM 338 CA TRP A 21 2.425 13.567 7.849 1.00 0.00 C ATOM 339 C TRP A 21 1.048 13.431 8.480 1.00 0.00 C ATOM 340 O TRP A 21 0.486 12.357 8.548 1.00 0.00 O ATOM 341 CB TRP A 21 2.412 13.015 6.396 1.00 0.00 C ATOM 342 CG TRP A 21 1.523 11.757 6.273 1.00 0.00 C ATOM 343 CD1 TRP A 21 0.234 11.783 5.926 1.00 0.00 C ATOM 344 CD2 TRP A 21 1.952 10.516 6.389 1.00 0.00 C ATOM 345 NE1 TRP A 21 -0.093 10.477 5.821 1.00 0.00 N ATOM 346 CE2 TRP A 21 0.942 9.612 6.100 1.00 0.00 C ATOM 347 CE3 TRP A 21 3.201 10.044 6.751 1.00 0.00 C ATOM 348 CZ2 TRP A 21 1.180 8.257 6.164 1.00 0.00 C ATOM 349 CZ3 TRP A 21 3.434 8.685 6.818 1.00 0.00 C ATOM 350 CH2 TRP A 21 2.425 7.792 6.525 1.00 0.00 C ATOM 0 H TRP A 21 3.031 12.028 9.176 1.00 0.00 H new ATOM 0 HA TRP A 21 2.700 14.621 7.815 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.048 13.786 5.717 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.430 12.774 6.089 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.398 12.645 5.767 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.026 10.159 5.558 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.995 10.739 6.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.390 7.559 5.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.410 8.320 7.101 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.611 6.729 6.579 1.00 0.00 H new ATOM 361 N LEU A 22 0.539 14.524 8.957 1.00 0.00 N ATOM 362 CA LEU A 22 -0.786 14.490 9.590 1.00 0.00 C ATOM 363 C LEU A 22 -1.885 14.658 8.568 1.00 0.00 C ATOM 364 O LEU A 22 -1.638 15.056 7.445 1.00 0.00 O ATOM 365 CB LEU A 22 -0.844 15.630 10.605 1.00 0.00 C ATOM 366 CG LEU A 22 0.233 15.391 11.673 1.00 0.00 C ATOM 367 CD1 LEU A 22 1.453 16.234 11.364 1.00 0.00 C ATOM 368 CD2 LEU A 22 -0.316 15.784 13.043 1.00 0.00 C ATOM 0 H LEU A 22 0.989 15.439 8.933 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.935 13.526 10.075 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.679 16.587 10.109 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.831 15.676 11.066 1.00 0.00 H new ATOM 0 HG LEU A 22 0.511 14.337 11.676 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.216 16.062 12.124 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.847 15.959 10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.175 17.288 11.360 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.447 15.615 13.803 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.593 16.838 13.035 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.194 15.180 13.270 1.00 0.00 H new ATOM 380 N ARG A 23 -3.082 14.350 8.980 1.00 0.00 N ATOM 381 CA ARG A 23 -4.235 14.471 8.065 1.00 0.00 C ATOM 382 C ARG A 23 -5.397 15.208 8.756 1.00 0.00 C ATOM 383 O ARG A 23 -5.449 15.279 9.967 1.00 0.00 O ATOM 384 CB ARG A 23 -4.666 13.029 7.713 1.00 0.00 C ATOM 385 CG ARG A 23 -4.064 12.619 6.356 1.00 0.00 C ATOM 386 CD ARG A 23 -3.820 11.108 6.348 1.00 0.00 C ATOM 387 NE ARG A 23 -5.113 10.407 6.568 1.00 0.00 N ATOM 388 CZ ARG A 23 -5.109 9.194 7.049 1.00 0.00 C ATOM 389 NH1 ARG A 23 -3.969 8.577 7.191 1.00 0.00 N ATOM 390 NH2 ARG A 23 -6.245 8.638 7.370 1.00 0.00 N ATOM 0 H ARG A 23 -3.306 14.018 9.918 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.967 15.039 7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.334 12.341 8.491 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.753 12.965 7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.740 12.894 5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.128 13.151 6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.383 10.802 5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.108 10.838 7.128 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.994 10.870 6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.101 9.043 6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.946 7.628 7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.118 9.151 7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.260 7.690 7.747 1.00 0.00 H new ATOM 404 N PRO A 24 -6.322 15.749 7.963 1.00 0.00 N ATOM 405 CA PRO A 24 -7.464 16.468 8.516 1.00 0.00 C ATOM 406 C PRO A 24 -8.178 15.651 9.585 1.00 0.00 C ATOM 407 O PRO A 24 -7.843 14.508 9.826 1.00 0.00 O ATOM 408 CB PRO A 24 -8.406 16.703 7.314 1.00 0.00 C ATOM 409 CG PRO A 24 -7.671 16.184 6.039 1.00 0.00 C ATOM 410 CD PRO A 24 -6.300 15.655 6.488 1.00 0.00 C ATOM 0 HA PRO A 24 -7.152 17.395 8.997 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.349 16.175 7.456 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.646 17.762 7.215 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.248 15.395 5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.554 16.985 5.309 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.146 14.627 6.160 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.489 16.249 6.066 1.00 0.00 H new ATOM 418 N VAL A 25 -9.150 16.256 10.206 1.00 0.00 N ATOM 419 CA VAL A 25 -9.900 15.543 11.259 1.00 0.00 C ATOM 420 C VAL A 25 -11.004 14.694 10.656 1.00 0.00 C ATOM 421 O VAL A 25 -11.188 14.669 9.456 1.00 0.00 O ATOM 422 CB VAL A 25 -10.530 16.590 12.194 1.00 0.00 C ATOM 423 CG1 VAL A 25 -9.571 17.775 12.347 1.00 0.00 C ATOM 424 CG2 VAL A 25 -11.845 17.086 11.593 1.00 0.00 C ATOM 0 H VAL A 25 -9.453 17.213 10.026 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.219 14.889 11.804 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.719 16.139 13.168 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.014 18.519 13.009 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.629 17.428 12.771 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.387 18.222 11.370 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.291 17.828 12.256 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.653 17.538 10.620 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.530 16.247 11.474 1.00 0.00 H new ATOM 434 N LEU A 26 -11.719 14.014 11.499 1.00 0.00 N ATOM 435 CA LEU A 26 -12.814 13.160 10.997 1.00 0.00 C ATOM 436 C LEU A 26 -14.130 13.937 10.947 1.00 0.00 C ATOM 437 O LEU A 26 -14.591 14.301 9.885 1.00 0.00 O ATOM 438 CB LEU A 26 -12.961 11.948 11.948 1.00 0.00 C ATOM 439 CG LEU A 26 -11.585 11.568 12.503 1.00 0.00 C ATOM 440 CD1 LEU A 26 -11.708 10.274 13.307 1.00 0.00 C ATOM 441 CD2 LEU A 26 -10.613 11.348 11.341 1.00 0.00 C ATOM 0 H LEU A 26 -11.591 14.014 12.511 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.579 12.827 9.986 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.640 12.193 12.765 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.396 11.103 11.414 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.214 12.368 13.144 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.731 9.998 13.705 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.406 10.422 14.131 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.074 9.477 12.660 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.633 11.077 11.733 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.983 10.545 10.704 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.530 12.265 10.758 1.00 0.00 H new ATOM 453 N ARG A 27 -14.704 14.176 12.098 1.00 0.00 N ATOM 454 CA ARG A 27 -15.990 14.925 12.149 1.00 0.00 C ATOM 455 C ARG A 27 -15.953 15.950 13.275 1.00 0.00 C ATOM 456 O ARG A 27 -16.767 16.851 13.328 1.00 0.00 O ATOM 457 CB ARG A 27 -17.154 13.934 12.438 1.00 0.00 C ATOM 458 CG ARG A 27 -17.059 12.685 11.536 1.00 0.00 C ATOM 459 CD ARG A 27 -17.504 13.039 10.113 1.00 0.00 C ATOM 460 NE ARG A 27 -18.921 13.496 10.151 1.00 0.00 N ATOM 461 CZ ARG A 27 -19.850 12.749 9.618 1.00 0.00 C ATOM 462 NH1 ARG A 27 -19.793 11.456 9.783 1.00 0.00 N ATOM 463 NH2 ARG A 27 -20.805 13.321 8.936 1.00 0.00 N ATOM 0 H ARG A 27 -14.336 13.884 13.003 1.00 0.00 H new ATOM 0 HA ARG A 27 -16.140 15.426 11.193 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -17.127 13.633 13.485 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -18.109 14.433 12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -16.036 12.310 11.524 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -17.686 11.888 11.935 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -16.866 13.822 9.702 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -17.405 12.172 9.460 1.00 0.00 H new ATOM 0 HE ARG A 27 -19.164 14.384 10.589 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -19.031 11.044 10.321 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -20.510 10.858 9.374 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -20.817 14.335 8.827 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -21.539 12.754 8.512 1.00 0.00 H new ATOM 477 N SER A 28 -15.003 15.789 14.158 1.00 0.00 N ATOM 478 CA SER A 28 -14.888 16.732 15.287 1.00 0.00 C ATOM 479 C SER A 28 -13.865 17.823 14.991 1.00 0.00 C ATOM 480 O SER A 28 -14.066 18.648 14.122 1.00 0.00 O ATOM 481 CB SER A 28 -14.424 15.943 16.517 1.00 0.00 C ATOM 482 OG SER A 28 -15.562 15.181 16.891 1.00 0.00 O ATOM 0 H SER A 28 -14.307 15.044 14.139 1.00 0.00 H new ATOM 0 HA SER A 28 -15.855 17.205 15.457 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.575 15.301 16.282 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.108 16.608 17.321 1.00 0.00 H new ATOM 0 HG SER A 28 -15.348 14.639 17.679 1.00 0.00 H new ATOM 488 N ASN A 29 -12.783 17.805 15.721 1.00 0.00 N ATOM 489 CA ASN A 29 -11.736 18.834 15.497 1.00 0.00 C ATOM 490 C ASN A 29 -10.350 18.300 15.849 1.00 0.00 C ATOM 491 O ASN A 29 -9.425 19.062 16.046 1.00 0.00 O ATOM 492 CB ASN A 29 -12.043 20.028 16.413 1.00 0.00 C ATOM 493 CG ASN A 29 -12.251 21.283 15.565 1.00 0.00 C ATOM 494 OD1 ASN A 29 -13.353 21.771 15.418 1.00 0.00 O ATOM 495 ND2 ASN A 29 -11.219 21.839 14.996 1.00 0.00 N ATOM 0 H ASN A 29 -12.582 17.127 16.456 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.739 19.119 14.445 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.935 19.825 17.006 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.223 20.182 17.114 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.340 22.680 14.431 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.291 21.434 15.116 1.00 0.00 H new ATOM 502 N ARG A 30 -10.227 17.003 15.928 1.00 0.00 N ATOM 503 CA ARG A 30 -8.914 16.421 16.264 1.00 0.00 C ATOM 504 C ARG A 30 -8.054 16.218 15.031 1.00 0.00 C ATOM 505 O ARG A 30 -8.542 15.919 13.965 1.00 0.00 O ATOM 506 CB ARG A 30 -9.160 15.068 16.912 1.00 0.00 C ATOM 507 CG ARG A 30 -9.976 15.273 18.178 1.00 0.00 C ATOM 508 CD ARG A 30 -9.305 14.528 19.316 1.00 0.00 C ATOM 509 NE ARG A 30 -10.185 14.581 20.518 1.00 0.00 N ATOM 510 CZ ARG A 30 -9.871 13.881 21.573 1.00 0.00 C ATOM 511 NH1 ARG A 30 -8.676 13.368 21.654 1.00 0.00 N ATOM 512 NH2 ARG A 30 -10.764 13.713 22.508 1.00 0.00 N ATOM 0 H ARG A 30 -10.979 16.331 15.774 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.388 17.104 16.931 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.690 14.410 16.223 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.212 14.584 17.148 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.049 16.335 18.413 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.993 14.908 18.035 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.120 13.492 19.030 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.336 14.975 19.539 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.025 15.159 20.516 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.005 13.517 20.900 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.412 12.818 22.471 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.691 14.126 22.408 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.535 13.168 23.340 1.00 0.00 H new ATOM 526 N VAL A 31 -6.780 16.367 15.214 1.00 0.00 N ATOM 527 CA VAL A 31 -5.843 16.191 14.072 1.00 0.00 C ATOM 528 C VAL A 31 -5.338 14.760 14.030 1.00 0.00 C ATOM 529 O VAL A 31 -5.051 14.176 15.056 1.00 0.00 O ATOM 530 CB VAL A 31 -4.645 17.138 14.271 1.00 0.00 C ATOM 531 CG1 VAL A 31 -5.068 18.569 13.926 1.00 0.00 C ATOM 532 CG2 VAL A 31 -4.192 17.089 15.734 1.00 0.00 C ATOM 0 H VAL A 31 -6.342 16.603 16.104 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.359 16.416 13.139 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.826 16.828 13.623 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.222 19.242 14.066 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.397 18.611 12.888 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.886 18.874 14.579 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.344 17.759 15.875 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.013 17.401 16.380 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.897 16.071 15.990 1.00 0.00 H new ATOM 542 N GLU A 32 -5.234 14.210 12.845 1.00 0.00 N ATOM 543 CA GLU A 32 -4.748 12.816 12.747 1.00 0.00 C ATOM 544 C GLU A 32 -3.248 12.782 12.557 1.00 0.00 C ATOM 545 O GLU A 32 -2.727 13.283 11.582 1.00 0.00 O ATOM 546 CB GLU A 32 -5.408 12.137 11.538 1.00 0.00 C ATOM 547 CG GLU A 32 -6.527 11.209 12.022 1.00 0.00 C ATOM 548 CD GLU A 32 -7.112 10.458 10.823 1.00 0.00 C ATOM 549 OE1 GLU A 32 -6.780 10.857 9.719 1.00 0.00 O ATOM 550 OE2 GLU A 32 -7.856 9.524 11.081 1.00 0.00 O ATOM 0 H GLU A 32 -5.462 14.664 11.960 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.003 12.295 13.670 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.812 12.889 10.861 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.666 11.568 10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.138 10.502 12.755 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.306 11.787 12.519 1.00 0.00 H new ATOM 557 N TYR A 33 -2.583 12.192 13.492 1.00 0.00 N ATOM 558 CA TYR A 33 -1.130 12.105 13.399 1.00 0.00 C ATOM 559 C TYR A 33 -0.760 10.851 12.668 1.00 0.00 C ATOM 560 O TYR A 33 -1.107 9.780 13.101 1.00 0.00 O ATOM 561 CB TYR A 33 -0.570 12.033 14.817 1.00 0.00 C ATOM 562 CG TYR A 33 0.831 12.643 14.843 1.00 0.00 C ATOM 563 CD1 TYR A 33 1.873 12.033 14.178 1.00 0.00 C ATOM 564 CD2 TYR A 33 1.070 13.817 15.525 1.00 0.00 C ATOM 565 CE1 TYR A 33 3.135 12.590 14.194 1.00 0.00 C ATOM 566 CE2 TYR A 33 2.330 14.374 15.540 1.00 0.00 C ATOM 567 CZ TYR A 33 3.373 13.767 14.876 1.00 0.00 C ATOM 568 OH TYR A 33 4.635 14.326 14.891 1.00 0.00 O ATOM 0 H TYR A 33 -2.994 11.764 14.322 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.729 12.970 12.870 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.224 12.568 15.505 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.533 10.997 15.153 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.700 11.112 13.641 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.263 14.304 16.052 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.943 12.102 13.669 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.501 15.295 16.077 1.00 0.00 H new ATOM 0 HH TYR A 33 4.620 15.153 15.417 1.00 0.00 H new ATOM 578 N CYS A 34 -0.065 10.989 11.562 1.00 0.00 N ATOM 579 CA CYS A 34 0.317 9.756 10.807 1.00 0.00 C ATOM 580 C CYS A 34 1.766 9.774 10.322 1.00 0.00 C ATOM 581 O CYS A 34 2.161 10.635 9.571 1.00 0.00 O ATOM 582 CB CYS A 34 -0.608 9.643 9.591 1.00 0.00 C ATOM 583 SG CYS A 34 -2.100 8.635 9.775 1.00 0.00 S ATOM 0 H CYS A 34 0.245 11.874 11.161 1.00 0.00 H new ATOM 0 HA CYS A 34 0.218 8.906 11.483 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.914 10.649 9.305 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.028 9.238 8.762 1.00 0.00 H new ATOM 588 N TRP A 35 2.524 8.795 10.766 1.00 0.00 N ATOM 589 CA TRP A 35 3.955 8.705 10.358 1.00 0.00 C ATOM 590 C TRP A 35 4.310 7.262 10.007 1.00 0.00 C ATOM 591 O TRP A 35 3.751 6.339 10.556 1.00 0.00 O ATOM 592 CB TRP A 35 4.843 9.150 11.530 1.00 0.00 C ATOM 593 CG TRP A 35 5.314 7.911 12.312 1.00 0.00 C ATOM 594 CD1 TRP A 35 6.392 7.217 11.995 1.00 0.00 C ATOM 595 CD2 TRP A 35 4.735 7.420 13.393 1.00 0.00 C ATOM 596 NE1 TRP A 35 6.457 6.268 12.940 1.00 0.00 N ATOM 597 CE2 TRP A 35 5.441 6.326 13.871 1.00 0.00 C ATOM 598 CE3 TRP A 35 3.592 7.829 14.060 1.00 0.00 C ATOM 599 CZ2 TRP A 35 5.017 5.659 15.000 1.00 0.00 C ATOM 600 CZ3 TRP A 35 3.171 7.157 15.192 1.00 0.00 C ATOM 601 CH2 TRP A 35 3.883 6.074 15.660 1.00 0.00 C ATOM 0 H TRP A 35 2.207 8.056 11.394 1.00 0.00 H new ATOM 0 HA TRP A 35 4.116 9.345 9.490 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.703 9.708 11.158 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.288 9.820 12.187 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.066 7.377 11.166 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.194 5.564 12.968 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.029 8.675 13.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.575 4.810 15.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.281 7.482 15.711 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.551 5.551 16.545 1.00 0.00 H new ATOM 612 N CYS A 36 5.238 7.092 9.105 1.00 0.00 N ATOM 613 CA CYS A 36 5.633 5.709 8.715 1.00 0.00 C ATOM 614 C CYS A 36 6.617 5.109 9.708 1.00 0.00 C ATOM 615 O CYS A 36 7.731 5.560 9.822 1.00 0.00 O ATOM 616 CB CYS A 36 6.316 5.769 7.350 1.00 0.00 C ATOM 617 SG CYS A 36 6.003 4.410 6.200 1.00 0.00 S ATOM 0 H CYS A 36 5.735 7.843 8.626 1.00 0.00 H new ATOM 0 HA CYS A 36 4.737 5.089 8.692 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.015 6.697 6.864 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.392 5.829 7.515 1.00 0.00 H new ATOM 622 N ASN A 37 6.197 4.091 10.398 1.00 0.00 N ATOM 623 CA ASN A 37 7.114 3.468 11.379 1.00 0.00 C ATOM 624 C ASN A 37 8.001 2.430 10.702 1.00 0.00 C ATOM 625 O ASN A 37 9.009 2.025 11.244 1.00 0.00 O ATOM 626 CB ASN A 37 6.273 2.774 12.460 1.00 0.00 C ATOM 627 CG ASN A 37 7.101 1.659 13.100 1.00 0.00 C ATOM 628 OD1 ASN A 37 8.076 1.907 13.782 1.00 0.00 O ATOM 629 ND2 ASN A 37 6.748 0.418 12.907 1.00 0.00 N ATOM 0 H ASN A 37 5.271 3.669 10.326 1.00 0.00 H new ATOM 0 HA ASN A 37 7.748 4.240 11.816 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.965 3.495 13.217 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.363 2.363 12.022 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.289 -0.337 13.327 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.931 0.203 12.336 1.00 0.00 H new ATOM 636 N SER A 38 7.609 2.019 9.527 1.00 0.00 N ATOM 637 CA SER A 38 8.419 1.011 8.803 1.00 0.00 C ATOM 638 C SER A 38 7.853 0.754 7.413 1.00 0.00 C ATOM 639 O SER A 38 8.516 0.193 6.564 1.00 0.00 O ATOM 640 CB SER A 38 8.387 -0.301 9.604 1.00 0.00 C ATOM 641 OG SER A 38 9.707 -0.428 10.110 1.00 0.00 O ATOM 0 H SER A 38 6.769 2.337 9.044 1.00 0.00 H new ATOM 0 HA SER A 38 9.438 1.382 8.698 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.653 -0.259 10.409 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.119 -1.148 8.972 1.00 0.00 H new ATOM 0 HG SER A 38 9.923 0.353 10.661 1.00 0.00 H new ATOM 647 N GLY A 39 6.632 1.174 7.204 1.00 0.00 N ATOM 648 CA GLY A 39 5.995 0.965 5.869 1.00 0.00 C ATOM 649 C GLY A 39 4.525 0.570 6.036 1.00 0.00 C ATOM 650 O GLY A 39 3.903 0.091 5.109 1.00 0.00 O ATOM 0 H GLY A 39 6.052 1.650 7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.068 1.877 5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.528 0.187 5.322 1.00 0.00 H new ATOM 654 N ARG A 40 4.008 0.784 7.224 1.00 0.00 N ATOM 655 CA ARG A 40 2.583 0.433 7.492 1.00 0.00 C ATOM 656 C ARG A 40 1.806 1.668 7.922 1.00 0.00 C ATOM 657 O ARG A 40 0.657 1.580 8.313 1.00 0.00 O ATOM 658 CB ARG A 40 2.545 -0.594 8.635 1.00 0.00 C ATOM 659 CG ARG A 40 3.232 0.002 9.868 1.00 0.00 C ATOM 660 CD ARG A 40 3.407 -1.093 10.923 1.00 0.00 C ATOM 661 NE ARG A 40 4.565 -1.952 10.543 1.00 0.00 N ATOM 662 CZ ARG A 40 4.567 -3.210 10.888 1.00 0.00 C ATOM 663 NH1 ARG A 40 4.342 -3.525 12.134 1.00 0.00 N ATOM 664 NH2 ARG A 40 4.800 -4.113 9.974 1.00 0.00 N ATOM 0 H ARG A 40 4.512 1.185 8.015 1.00 0.00 H new ATOM 0 HA ARG A 40 2.134 0.027 6.586 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.514 -0.857 8.870 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.047 -1.513 8.332 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.201 0.418 9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.636 0.821 10.271 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.574 -0.648 11.904 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.500 -1.694 10.996 1.00 0.00 H new ATOM 0 HE ARG A 40 5.347 -1.560 10.019 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.168 -2.792 12.822 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.340 -4.504 12.420 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.976 -3.829 9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.806 -5.102 10.224 1.00 0.00 H new ATOM 678 N ALA A 41 2.449 2.798 7.843 1.00 0.00 N ATOM 679 CA ALA A 41 1.775 4.058 8.240 1.00 0.00 C ATOM 680 C ALA A 41 1.244 3.969 9.664 1.00 0.00 C ATOM 681 O ALA A 41 0.142 3.507 9.893 1.00 0.00 O ATOM 682 CB ALA A 41 0.595 4.317 7.284 1.00 0.00 C ATOM 0 H ALA A 41 3.411 2.901 7.521 1.00 0.00 H new ATOM 0 HA ALA A 41 2.500 4.870 8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.093 5.242 7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.966 4.405 6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.110 3.488 7.344 1.00 0.00 H new ATOM 688 N GLN A 42 2.038 4.416 10.597 1.00 0.00 N ATOM 689 CA GLN A 42 1.606 4.373 12.008 1.00 0.00 C ATOM 690 C GLN A 42 0.870 5.654 12.313 1.00 0.00 C ATOM 691 O GLN A 42 1.227 6.689 11.797 1.00 0.00 O ATOM 692 CB GLN A 42 2.860 4.289 12.890 1.00 0.00 C ATOM 693 CG GLN A 42 2.658 3.216 13.963 1.00 0.00 C ATOM 694 CD GLN A 42 1.504 3.624 14.881 1.00 0.00 C ATOM 695 OE1 GLN A 42 1.395 4.762 15.293 1.00 0.00 O ATOM 696 NE2 GLN A 42 0.623 2.725 15.227 1.00 0.00 N ATOM 0 H GLN A 42 2.966 4.808 10.436 1.00 0.00 H new ATOM 0 HA GLN A 42 0.959 3.516 12.194 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.731 4.049 12.280 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.054 5.254 13.358 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.443 2.255 13.496 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.572 3.091 14.544 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.709 1.768 14.884 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.152 2.979 15.840 1.00 0.00 H new ATOM 705 N CYS A 43 -0.152 5.593 13.126 1.00 0.00 N ATOM 706 CA CYS A 43 -0.869 6.856 13.413 1.00 0.00 C ATOM 707 C CYS A 43 -1.536 6.898 14.776 1.00 0.00 C ATOM 708 O CYS A 43 -1.747 5.892 15.422 1.00 0.00 O ATOM 709 CB CYS A 43 -1.956 7.022 12.338 1.00 0.00 C ATOM 710 SG CYS A 43 -1.434 6.918 10.606 1.00 0.00 S ATOM 0 H CYS A 43 -0.507 4.754 13.586 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.130 7.657 13.407 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.717 6.260 12.507 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.435 7.990 12.489 1.00 0.00 H new ATOM 715 N HIS A 44 -1.846 8.104 15.167 1.00 0.00 N ATOM 716 CA HIS A 44 -2.509 8.343 16.469 1.00 0.00 C ATOM 717 C HIS A 44 -3.268 9.649 16.375 1.00 0.00 C ATOM 718 O HIS A 44 -3.209 10.308 15.353 1.00 0.00 O ATOM 719 CB HIS A 44 -1.463 8.412 17.608 1.00 0.00 C ATOM 720 CG HIS A 44 -0.405 9.481 17.329 1.00 0.00 C ATOM 721 ND1 HIS A 44 0.673 9.278 16.735 1.00 0.00 N ATOM 722 CD2 HIS A 44 -0.371 10.808 17.711 1.00 0.00 C ATOM 723 CE1 HIS A 44 1.393 10.322 16.702 1.00 0.00 C ATOM 724 NE2 HIS A 44 0.809 11.359 17.303 1.00 0.00 N ATOM 0 H HIS A 44 -1.661 8.947 14.624 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.192 7.524 16.695 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.964 8.631 18.551 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.981 7.441 17.721 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.153 11.326 18.247 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.368 10.366 16.240 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.153 12.311 17.425 1.00 0.00 H new ATOM 732 N SER A 45 -3.970 10.016 17.412 1.00 0.00 N ATOM 733 CA SER A 45 -4.727 11.299 17.338 1.00 0.00 C ATOM 734 C SER A 45 -4.678 12.101 18.629 1.00 0.00 C ATOM 735 O SER A 45 -5.059 11.630 19.681 1.00 0.00 O ATOM 736 CB SER A 45 -6.193 10.965 17.031 1.00 0.00 C ATOM 737 OG SER A 45 -6.650 12.074 16.273 1.00 0.00 O ATOM 0 H SER A 45 -4.052 9.499 18.287 1.00 0.00 H new ATOM 0 HA SER A 45 -4.266 11.910 16.562 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.281 10.035 16.469 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.773 10.841 17.945 1.00 0.00 H new ATOM 0 HG SER A 45 -5.899 12.675 16.088 1.00 0.00 H new ATOM 743 N VAL A 46 -4.200 13.312 18.498 1.00 0.00 N ATOM 744 CA VAL A 46 -4.094 14.219 19.667 1.00 0.00 C ATOM 745 C VAL A 46 -4.913 15.509 19.361 1.00 0.00 C ATOM 746 O VAL A 46 -4.735 16.095 18.311 1.00 0.00 O ATOM 747 CB VAL A 46 -2.604 14.596 19.840 1.00 0.00 C ATOM 748 CG1 VAL A 46 -1.926 14.590 18.468 1.00 0.00 C ATOM 749 CG2 VAL A 46 -2.486 15.999 20.453 1.00 0.00 C ATOM 0 H VAL A 46 -3.876 13.711 17.617 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.473 13.742 20.571 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.123 13.874 20.500 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.875 14.855 18.581 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.005 13.596 18.028 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.415 15.315 17.817 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.434 16.257 20.572 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.966 16.725 19.796 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.975 16.013 21.427 1.00 0.00 H new ATOM 759 N PRO A 47 -5.804 15.944 20.269 1.00 0.00 N ATOM 760 CA PRO A 47 -6.592 17.151 20.010 1.00 0.00 C ATOM 761 C PRO A 47 -5.710 18.367 19.795 1.00 0.00 C ATOM 762 O PRO A 47 -4.504 18.299 19.934 1.00 0.00 O ATOM 763 CB PRO A 47 -7.446 17.360 21.269 1.00 0.00 C ATOM 764 CG PRO A 47 -7.093 16.217 22.267 1.00 0.00 C ATOM 765 CD PRO A 47 -6.068 15.301 21.571 1.00 0.00 C ATOM 0 HA PRO A 47 -7.188 17.031 19.105 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.242 18.334 21.714 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.507 17.339 21.021 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.679 16.626 23.189 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.987 15.656 22.540 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.155 15.212 22.159 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.463 14.294 21.441 1.00 0.00 H new ATOM 773 N VAL A 48 -6.342 19.461 19.453 1.00 0.00 N ATOM 774 CA VAL A 48 -5.592 20.712 19.217 1.00 0.00 C ATOM 775 C VAL A 48 -6.174 21.870 20.026 1.00 0.00 C ATOM 776 O VAL A 48 -5.463 22.774 20.413 1.00 0.00 O ATOM 777 CB VAL A 48 -5.706 21.027 17.725 1.00 0.00 C ATOM 778 CG1 VAL A 48 -7.023 21.759 17.436 1.00 0.00 C ATOM 779 CG2 VAL A 48 -4.530 21.911 17.304 1.00 0.00 C ATOM 0 H VAL A 48 -7.352 19.533 19.329 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.554 20.586 19.526 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.689 20.094 17.162 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.092 21.977 16.370 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.862 21.129 17.732 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.052 22.691 18.000 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.608 22.138 16.241 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.550 22.839 17.875 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.594 21.387 17.496 1.00 0.00 H new ATOM 789 N LYS A 49 -7.457 21.819 20.271 1.00 0.00 N ATOM 790 CA LYS A 49 -8.088 22.905 21.048 1.00 0.00 C ATOM 791 C LYS A 49 -7.286 23.204 22.309 1.00 0.00 C ATOM 792 O LYS A 49 -6.865 22.305 23.009 1.00 0.00 O ATOM 793 CB LYS A 49 -9.507 22.459 21.444 1.00 0.00 C ATOM 794 CG LYS A 49 -9.457 21.051 22.049 1.00 0.00 C ATOM 795 CD LYS A 49 -10.879 20.604 22.393 1.00 0.00 C ATOM 796 CE LYS A 49 -11.331 19.548 21.382 1.00 0.00 C ATOM 797 NZ LYS A 49 -11.209 20.069 19.992 1.00 0.00 N ATOM 0 H LYS A 49 -8.084 21.075 19.966 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.122 23.808 20.439 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.931 23.159 22.163 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.158 22.467 20.570 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.004 20.354 21.344 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.835 21.048 22.944 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.911 20.195 23.403 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.557 21.458 22.373 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.727 18.648 21.493 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.365 19.265 21.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.746 19.458 19.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.588 21.036 19.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.208 20.077 19.711 1.00 0.00 H new ATOM 811 N SER A 50 -7.082 24.467 22.572 1.00 0.00 N ATOM 812 CA SER A 50 -6.310 24.845 23.782 1.00 0.00 C ATOM 813 C SER A 50 -6.841 26.139 24.383 1.00 0.00 C ATOM 814 O SER A 50 -7.115 27.028 23.595 1.00 0.00 O ATOM 815 CB SER A 50 -4.844 25.056 23.373 1.00 0.00 C ATOM 816 OG SER A 50 -4.290 25.814 24.439 1.00 0.00 O ATOM 817 OXT SER A 50 -6.945 26.169 25.597 1.00 0.00 O ATOM 0 H SER A 50 -7.415 25.246 22.004 1.00 0.00 H new ATOM 0 HA SER A 50 -6.402 24.053 24.525 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.325 24.106 23.248 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.768 25.588 22.425 1.00 0.00 H new ATOM 0 HG SER A 50 -3.344 25.993 24.256 1.00 0.00 H new TER 823 SER A 50