USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=11 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= -0.0176 USER MOD Set 1.2: A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 15 TYR OH : rot 83:sc= 0.0703 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 10 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.579) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.212 K(o=-0.21,f=-4.1!) USER MOD Single : A 18 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.024) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 20 SER OG : rot 41:sc= 0.369 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.18! C(o=-1.2!,f=-4.6!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 38 SER OG : rot 180:sc= -0.294 USER MOD Single : A 42 GLN : amide:sc= -0.502 K(o=-0.5,f=-5.1!) USER MOD Single : A 44 HIS : no HD1:sc= -14.2! C(o=-14!,f=-15!) USER MOD Single : A 45 SER OG : rot -90:sc= 0.114 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 24:sc= 0.37 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.449 -6.893 -1.534 1.00 0.00 N ATOM 2 CA SER A 1 13.082 -6.330 -1.403 1.00 0.00 C ATOM 3 C SER A 1 13.151 -4.898 -0.887 1.00 0.00 C ATOM 4 O SER A 1 13.715 -4.639 0.158 1.00 0.00 O ATOM 5 CB SER A 1 12.265 -7.171 -0.409 1.00 0.00 C ATOM 6 OG SER A 1 10.962 -7.208 -0.973 1.00 0.00 O ATOM 0 H1 SER A 1 14.390 -7.870 -1.887 1.00 0.00 H new ATOM 0 H2 SER A 1 14.999 -6.316 -2.202 1.00 0.00 H new ATOM 0 H3 SER A 1 14.917 -6.888 -0.605 1.00 0.00 H new ATOM 0 HA SER A 1 12.607 -6.345 -2.384 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.680 -8.173 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.257 -6.719 0.583 1.00 0.00 H new ATOM 0 HG SER A 1 10.370 -7.733 -0.395 1.00 0.00 H new ATOM 14 N TYR A 2 12.573 -3.992 -1.630 1.00 0.00 N ATOM 15 CA TYR A 2 12.596 -2.573 -1.197 1.00 0.00 C ATOM 16 C TYR A 2 11.339 -2.220 -0.413 1.00 0.00 C ATOM 17 O TYR A 2 10.263 -2.704 -0.705 1.00 0.00 O ATOM 18 CB TYR A 2 12.663 -1.685 -2.448 1.00 0.00 C ATOM 19 CG TYR A 2 13.125 -2.523 -3.642 1.00 0.00 C ATOM 20 CD1 TYR A 2 14.460 -2.834 -3.807 1.00 0.00 C ATOM 21 CD2 TYR A 2 12.214 -2.976 -4.574 1.00 0.00 C ATOM 22 CE1 TYR A 2 14.877 -3.586 -4.887 1.00 0.00 C ATOM 23 CE2 TYR A 2 12.630 -3.728 -5.654 1.00 0.00 C ATOM 24 CZ TYR A 2 13.965 -4.039 -5.818 1.00 0.00 C ATOM 25 OH TYR A 2 14.381 -4.793 -6.897 1.00 0.00 O ATOM 0 H TYR A 2 12.091 -4.175 -2.510 1.00 0.00 H new ATOM 0 HA TYR A 2 13.462 -2.414 -0.554 1.00 0.00 H new ATOM 0 HB2 TYR A 2 11.684 -1.250 -2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 2 13.352 -0.856 -2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 2 15.184 -2.486 -3.085 1.00 0.00 H new ATOM 0 HD2 TYR A 2 11.167 -2.740 -4.457 1.00 0.00 H new ATOM 0 HE1 TYR A 2 15.925 -3.821 -5.004 1.00 0.00 H new ATOM 0 HE2 TYR A 2 11.906 -4.076 -6.376 1.00 0.00 H new ATOM 0 HH TYR A 2 13.607 -5.027 -7.450 1.00 0.00 H new ATOM 35 N GLN A 3 11.501 -1.381 0.571 1.00 0.00 N ATOM 36 CA GLN A 3 10.334 -0.975 1.393 1.00 0.00 C ATOM 37 C GLN A 3 10.717 0.185 2.308 1.00 0.00 C ATOM 38 O GLN A 3 11.268 -0.016 3.374 1.00 0.00 O ATOM 39 CB GLN A 3 9.899 -2.180 2.247 1.00 0.00 C ATOM 40 CG GLN A 3 8.480 -2.584 1.850 1.00 0.00 C ATOM 41 CD GLN A 3 8.089 -3.863 2.593 1.00 0.00 C ATOM 42 OE1 GLN A 3 8.863 -4.794 2.697 1.00 0.00 O ATOM 43 NE2 GLN A 3 6.900 -3.949 3.124 1.00 0.00 N ATOM 0 H GLN A 3 12.391 -0.961 0.839 1.00 0.00 H new ATOM 0 HA GLN A 3 9.519 -0.655 0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.584 -3.015 2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 3 9.935 -1.924 3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.781 -1.783 2.090 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.423 -2.744 0.773 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.246 -3.171 3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 3 6.624 -4.795 3.623 1.00 0.00 H new ATOM 52 N VAL A 4 10.420 1.385 1.871 1.00 0.00 N ATOM 53 CA VAL A 4 10.758 2.564 2.696 1.00 0.00 C ATOM 54 C VAL A 4 9.690 3.654 2.588 1.00 0.00 C ATOM 55 O VAL A 4 9.766 4.660 3.267 1.00 0.00 O ATOM 56 CB VAL A 4 12.080 3.131 2.159 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.740 3.964 3.238 1.00 0.00 C ATOM 58 CG2 VAL A 4 13.011 1.979 1.772 1.00 0.00 C ATOM 0 H VAL A 4 9.961 1.588 0.983 1.00 0.00 H new ATOM 0 HA VAL A 4 10.828 2.261 3.741 1.00 0.00 H new ATOM 0 HB VAL A 4 11.882 3.749 1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.679 4.369 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.079 4.783 3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.937 3.340 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.949 2.382 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.210 1.362 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.537 1.372 1.001 1.00 0.00 H new ATOM 68 N ILE A 5 8.718 3.434 1.742 1.00 0.00 N ATOM 69 CA ILE A 5 7.642 4.442 1.574 1.00 0.00 C ATOM 70 C ILE A 5 6.342 4.022 2.262 1.00 0.00 C ATOM 71 O ILE A 5 6.201 2.902 2.714 1.00 0.00 O ATOM 72 CB ILE A 5 7.372 4.574 0.085 1.00 0.00 C ATOM 73 CG1 ILE A 5 7.224 3.194 -0.532 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.569 5.280 -0.573 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.016 3.189 -1.471 1.00 0.00 C ATOM 0 H ILE A 5 8.627 2.599 1.163 1.00 0.00 H new ATOM 0 HA ILE A 5 7.969 5.379 2.025 1.00 0.00 H new ATOM 0 HB ILE A 5 6.457 5.145 -0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.128 2.929 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.095 2.445 0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.388 5.381 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.696 6.268 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.472 4.691 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.906 2.200 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.116 3.436 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.165 3.927 -2.259 1.00 0.00 H new ATOM 87 N CYS A 6 5.414 4.949 2.321 1.00 0.00 N ATOM 88 CA CYS A 6 4.104 4.664 2.964 1.00 0.00 C ATOM 89 C CYS A 6 2.979 5.285 2.135 1.00 0.00 C ATOM 90 O CYS A 6 2.860 6.490 2.062 1.00 0.00 O ATOM 91 CB CYS A 6 4.102 5.311 4.360 1.00 0.00 C ATOM 92 SG CYS A 6 4.365 4.225 5.784 1.00 0.00 S ATOM 0 H CYS A 6 5.514 5.893 1.948 1.00 0.00 H new ATOM 0 HA CYS A 6 3.952 3.587 3.035 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.875 6.080 4.376 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.146 5.817 4.495 1.00 0.00 H new ATOM 97 N ARG A 7 2.169 4.455 1.533 1.00 0.00 N ATOM 98 CA ARG A 7 1.057 4.993 0.708 1.00 0.00 C ATOM 99 C ARG A 7 -0.212 5.223 1.525 1.00 0.00 C ATOM 100 O ARG A 7 -0.754 4.306 2.107 1.00 0.00 O ATOM 101 CB ARG A 7 0.751 3.963 -0.385 1.00 0.00 C ATOM 102 CG ARG A 7 -0.256 4.551 -1.381 1.00 0.00 C ATOM 103 CD ARG A 7 -0.185 3.755 -2.688 1.00 0.00 C ATOM 104 NE ARG A 7 -1.414 4.022 -3.492 1.00 0.00 N ATOM 105 CZ ARG A 7 -2.380 3.142 -3.503 1.00 0.00 C ATOM 106 NH1 ARG A 7 -2.118 1.920 -3.882 1.00 0.00 N ATOM 107 NH2 ARG A 7 -3.577 3.513 -3.136 1.00 0.00 N ATOM 0 H ARG A 7 2.231 3.438 1.578 1.00 0.00 H new ATOM 0 HA ARG A 7 1.364 5.955 0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.669 3.684 -0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.348 3.054 0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.264 4.508 -0.968 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.032 5.602 -1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.703 4.039 -3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.100 2.689 -2.475 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.499 4.885 -4.029 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.171 1.665 -4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.860 1.220 -3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.746 4.476 -2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.343 2.839 -3.138 1.00 0.00 H new ATOM 121 N ASP A 8 -0.656 6.460 1.547 1.00 0.00 N ATOM 122 CA ASP A 8 -1.891 6.798 2.314 1.00 0.00 C ATOM 123 C ASP A 8 -3.062 7.033 1.352 1.00 0.00 C ATOM 124 O ASP A 8 -2.997 7.894 0.491 1.00 0.00 O ATOM 125 CB ASP A 8 -1.622 8.076 3.110 1.00 0.00 C ATOM 126 CG ASP A 8 -2.687 8.236 4.194 1.00 0.00 C ATOM 127 OD1 ASP A 8 -3.800 7.811 3.930 1.00 0.00 O ATOM 128 OD2 ASP A 8 -2.327 8.774 5.228 1.00 0.00 O ATOM 0 H ASP A 8 -0.215 7.245 1.067 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.149 5.977 2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.631 8.033 3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.632 8.940 2.445 1.00 0.00 H new ATOM 133 N GLU A 9 -4.114 6.263 1.521 1.00 0.00 N ATOM 134 CA GLU A 9 -5.297 6.417 0.631 1.00 0.00 C ATOM 135 C GLU A 9 -6.260 7.497 1.116 1.00 0.00 C ATOM 136 O GLU A 9 -7.243 7.782 0.462 1.00 0.00 O ATOM 137 CB GLU A 9 -6.046 5.081 0.615 1.00 0.00 C ATOM 138 CG GLU A 9 -6.613 4.807 2.011 1.00 0.00 C ATOM 139 CD GLU A 9 -7.064 3.349 2.097 1.00 0.00 C ATOM 140 OE1 GLU A 9 -7.887 2.987 1.273 1.00 0.00 O ATOM 141 OE2 GLU A 9 -6.558 2.678 2.982 1.00 0.00 O ATOM 0 H GLU A 9 -4.198 5.540 2.235 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.942 6.710 -0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.851 5.110 -0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.373 4.276 0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.857 5.011 2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.453 5.472 2.212 1.00 0.00 H new ATOM 148 N LYS A 10 -5.979 8.077 2.243 1.00 0.00 N ATOM 149 CA LYS A 10 -6.894 9.135 2.748 1.00 0.00 C ATOM 150 C LYS A 10 -6.550 10.470 2.120 1.00 0.00 C ATOM 151 O LYS A 10 -7.286 11.430 2.241 1.00 0.00 O ATOM 152 CB LYS A 10 -6.728 9.247 4.270 1.00 0.00 C ATOM 153 CG LYS A 10 -8.071 8.954 4.963 1.00 0.00 C ATOM 154 CD LYS A 10 -8.339 7.448 4.917 1.00 0.00 C ATOM 155 CE LYS A 10 -9.833 7.192 5.139 1.00 0.00 C ATOM 156 NZ LYS A 10 -10.365 8.093 6.201 1.00 0.00 N ATOM 0 H LYS A 10 -5.170 7.871 2.830 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.920 8.873 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.969 8.545 4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.382 10.246 4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.045 9.300 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.877 9.495 4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.028 7.041 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.753 6.939 5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.378 7.355 4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.991 6.152 5.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.242 7.691 6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.661 8.188 6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.563 9.029 5.794 1.00 0.00 H new ATOM 170 N THR A 11 -5.433 10.502 1.467 1.00 0.00 N ATOM 171 CA THR A 11 -4.995 11.753 0.809 1.00 0.00 C ATOM 172 C THR A 11 -4.375 11.417 -0.524 1.00 0.00 C ATOM 173 O THR A 11 -4.166 12.276 -1.353 1.00 0.00 O ATOM 174 CB THR A 11 -3.947 12.424 1.693 1.00 0.00 C ATOM 175 OG1 THR A 11 -2.758 12.431 0.930 1.00 0.00 O ATOM 176 CG2 THR A 11 -3.628 11.545 2.904 1.00 0.00 C ATOM 0 H THR A 11 -4.799 9.710 1.359 1.00 0.00 H new ATOM 0 HA THR A 11 -5.845 12.419 0.661 1.00 0.00 H new ATOM 0 HB THR A 11 -4.300 13.405 2.011 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.041 12.854 1.446 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.879 12.038 3.524 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.535 11.386 3.487 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.242 10.584 2.564 1.00 0.00 H new ATOM 184 N GLN A 12 -4.076 10.154 -0.684 1.00 0.00 N ATOM 185 CA GLN A 12 -3.462 9.678 -1.947 1.00 0.00 C ATOM 186 C GLN A 12 -2.088 10.258 -2.090 1.00 0.00 C ATOM 187 O GLN A 12 -1.723 10.751 -3.140 1.00 0.00 O ATOM 188 CB GLN A 12 -4.321 10.117 -3.156 1.00 0.00 C ATOM 189 CG GLN A 12 -5.803 9.870 -2.861 1.00 0.00 C ATOM 190 CD GLN A 12 -6.584 9.904 -4.176 1.00 0.00 C ATOM 191 OE1 GLN A 12 -6.491 10.843 -4.941 1.00 0.00 O ATOM 192 NE2 GLN A 12 -7.361 8.902 -4.479 1.00 0.00 N ATOM 0 H GLN A 12 -4.235 9.430 0.016 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.405 8.590 -1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.155 11.173 -3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.021 9.563 -4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.934 8.906 -2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.183 10.630 -2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.444 8.110 -3.842 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.886 8.910 -5.354 1.00 0.00 H new ATOM 201 N MET A 13 -1.347 10.194 -1.022 1.00 0.00 N ATOM 202 CA MET A 13 0.023 10.736 -1.050 1.00 0.00 C ATOM 203 C MET A 13 0.994 9.775 -0.377 1.00 0.00 C ATOM 204 O MET A 13 0.719 9.259 0.687 1.00 0.00 O ATOM 205 CB MET A 13 0.027 12.073 -0.292 1.00 0.00 C ATOM 206 CG MET A 13 1.389 12.747 -0.460 1.00 0.00 C ATOM 207 SD MET A 13 1.426 14.354 -1.295 1.00 0.00 S ATOM 208 CE MET A 13 0.714 15.328 0.052 1.00 0.00 C ATOM 0 H MET A 13 -1.638 9.788 -0.133 1.00 0.00 H new ATOM 0 HA MET A 13 0.337 10.876 -2.084 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.762 12.722 -0.673 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.180 11.905 0.765 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.828 12.872 0.530 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.036 12.066 -1.012 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.643 16.372 -0.252 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.281 14.951 0.287 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.350 15.249 0.934 1.00 0.00 H new ATOM 218 N ILE A 14 2.112 9.549 -1.014 1.00 0.00 N ATOM 219 CA ILE A 14 3.109 8.630 -0.429 1.00 0.00 C ATOM 220 C ILE A 14 4.165 9.400 0.353 1.00 0.00 C ATOM 221 O ILE A 14 4.559 10.483 -0.033 1.00 0.00 O ATOM 222 CB ILE A 14 3.780 7.872 -1.570 1.00 0.00 C ATOM 223 CG1 ILE A 14 2.708 7.292 -2.485 1.00 0.00 C ATOM 224 CG2 ILE A 14 4.602 6.712 -0.975 1.00 0.00 C ATOM 225 CD1 ILE A 14 3.341 6.272 -3.432 1.00 0.00 C ATOM 0 H ILE A 14 2.370 9.963 -1.910 1.00 0.00 H new ATOM 0 HA ILE A 14 2.611 7.944 0.256 1.00 0.00 H new ATOM 0 HB ILE A 14 4.425 8.545 -2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.927 6.817 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.233 8.089 -3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.088 6.160 -1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.359 7.111 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.941 6.043 -0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.574 5.858 -4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.106 6.761 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.795 5.469 -2.851 1.00 0.00 H new ATOM 237 N TYR A 15 4.603 8.814 1.442 1.00 0.00 N ATOM 238 CA TYR A 15 5.633 9.477 2.285 1.00 0.00 C ATOM 239 C TYR A 15 6.860 8.582 2.451 1.00 0.00 C ATOM 240 O TYR A 15 6.896 7.478 1.947 1.00 0.00 O ATOM 241 CB TYR A 15 5.018 9.742 3.663 1.00 0.00 C ATOM 242 CG TYR A 15 3.698 10.496 3.490 1.00 0.00 C ATOM 243 CD1 TYR A 15 2.523 9.811 3.254 1.00 0.00 C ATOM 244 CD2 TYR A 15 3.663 11.872 3.570 1.00 0.00 C ATOM 245 CE1 TYR A 15 1.334 10.496 3.097 1.00 0.00 C ATOM 246 CE2 TYR A 15 2.475 12.555 3.415 1.00 0.00 C ATOM 247 CZ TYR A 15 1.302 11.872 3.177 1.00 0.00 C ATOM 248 OH TYR A 15 0.113 12.554 3.023 1.00 0.00 O ATOM 0 H TYR A 15 4.288 7.904 1.779 1.00 0.00 H new ATOM 0 HA TYR A 15 5.948 10.405 1.808 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.847 8.800 4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.706 10.325 4.275 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.534 8.733 3.192 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.575 12.420 3.756 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.422 9.949 2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.464 13.633 3.481 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.372 12.563 3.875 1.00 0.00 H new ATOM 258 N GLN A 16 7.842 9.082 3.156 1.00 0.00 N ATOM 259 CA GLN A 16 9.078 8.285 3.372 1.00 0.00 C ATOM 260 C GLN A 16 9.086 7.611 4.739 1.00 0.00 C ATOM 261 O GLN A 16 8.103 7.624 5.454 1.00 0.00 O ATOM 262 CB GLN A 16 10.275 9.240 3.293 1.00 0.00 C ATOM 263 CG GLN A 16 10.441 9.734 1.854 1.00 0.00 C ATOM 264 CD GLN A 16 11.832 9.351 1.348 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.638 10.196 1.010 1.00 0.00 O ATOM 266 NE2 GLN A 16 12.154 8.089 1.281 1.00 0.00 N ATOM 0 H GLN A 16 7.838 10.006 3.589 1.00 0.00 H new ATOM 0 HA GLN A 16 9.128 7.506 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.124 10.086 3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.182 8.731 3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.675 9.294 1.215 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.310 10.815 1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.482 7.376 1.563 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.078 7.815 0.946 1.00 0.00 H new ATOM 275 N GLN A 17 10.210 7.032 5.070 1.00 0.00 N ATOM 276 CA GLN A 17 10.335 6.338 6.385 1.00 0.00 C ATOM 277 C GLN A 17 10.318 7.317 7.551 1.00 0.00 C ATOM 278 O GLN A 17 10.836 8.411 7.456 1.00 0.00 O ATOM 279 CB GLN A 17 11.681 5.602 6.423 1.00 0.00 C ATOM 280 CG GLN A 17 11.434 4.091 6.491 1.00 0.00 C ATOM 281 CD GLN A 17 10.833 3.730 7.853 1.00 0.00 C ATOM 282 OE1 GLN A 17 9.669 3.961 8.115 1.00 0.00 O ATOM 283 NE2 GLN A 17 11.593 3.156 8.746 1.00 0.00 N ATOM 0 H GLN A 17 11.046 7.010 4.487 1.00 0.00 H new ATOM 0 HA GLN A 17 9.489 5.658 6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.267 5.846 5.537 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.261 5.926 7.287 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.758 3.786 5.692 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.369 3.552 6.340 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.571 2.959 8.533 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.209 2.904 9.657 1.00 0.00 H new ATOM 292 N HIS A 18 9.717 6.901 8.634 1.00 0.00 N ATOM 293 CA HIS A 18 9.657 7.786 9.817 1.00 0.00 C ATOM 294 C HIS A 18 9.193 9.174 9.431 1.00 0.00 C ATOM 295 O HIS A 18 9.397 10.130 10.154 1.00 0.00 O ATOM 296 CB HIS A 18 11.058 7.865 10.432 1.00 0.00 C ATOM 297 CG HIS A 18 11.062 7.096 11.752 1.00 0.00 C ATOM 298 ND1 HIS A 18 11.647 7.462 12.792 1.00 0.00 N ATOM 299 CD2 HIS A 18 10.452 5.898 12.075 1.00 0.00 C ATOM 300 CE1 HIS A 18 11.477 6.635 13.737 1.00 0.00 C ATOM 301 NE2 HIS A 18 10.723 5.596 13.374 1.00 0.00 N ATOM 0 H HIS A 18 9.270 5.991 8.744 1.00 0.00 H new ATOM 0 HA HIS A 18 8.945 7.380 10.535 1.00 0.00 H new ATOM 0 HB2 HIS A 18 11.794 7.444 9.748 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.338 8.905 10.601 1.00 0.00 H new ATOM 0 HD2 HIS A 18 9.856 5.298 11.404 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.895 6.758 14.725 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.428 4.789 13.924 1.00 0.00 H new ATOM 309 N GLN A 19 8.570 9.262 8.297 1.00 0.00 N ATOM 310 CA GLN A 19 8.084 10.576 7.843 1.00 0.00 C ATOM 311 C GLN A 19 6.718 10.844 8.435 1.00 0.00 C ATOM 312 O GLN A 19 5.794 10.096 8.215 1.00 0.00 O ATOM 313 CB GLN A 19 7.969 10.546 6.321 1.00 0.00 C ATOM 314 CG GLN A 19 7.839 11.979 5.803 1.00 0.00 C ATOM 315 CD GLN A 19 9.210 12.474 5.344 1.00 0.00 C ATOM 316 OE1 GLN A 19 10.185 12.389 6.063 1.00 0.00 O ATOM 317 NE2 GLN A 19 9.328 13.000 4.156 1.00 0.00 N ATOM 0 H GLN A 19 8.379 8.481 7.669 1.00 0.00 H new ATOM 0 HA GLN A 19 8.774 11.358 8.160 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.846 10.067 5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.102 9.957 6.020 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.130 12.016 4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.449 12.628 6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.513 13.074 3.548 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.236 13.337 3.835 1.00 0.00 H new ATOM 326 N SER A 20 6.609 11.905 9.175 1.00 0.00 N ATOM 327 CA SER A 20 5.304 12.228 9.788 1.00 0.00 C ATOM 328 C SER A 20 4.475 13.157 8.918 1.00 0.00 C ATOM 329 O SER A 20 4.957 14.167 8.445 1.00 0.00 O ATOM 330 CB SER A 20 5.565 12.926 11.124 1.00 0.00 C ATOM 331 OG SER A 20 6.468 13.972 10.798 1.00 0.00 O ATOM 0 H SER A 20 7.365 12.559 9.380 1.00 0.00 H new ATOM 0 HA SER A 20 4.748 11.299 9.913 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.644 13.315 11.557 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.996 12.241 11.854 1.00 0.00 H new ATOM 0 HG SER A 20 6.197 14.386 9.952 1.00 0.00 H new ATOM 337 N TRP A 21 3.237 12.785 8.720 1.00 0.00 N ATOM 338 CA TRP A 21 2.335 13.626 7.887 1.00 0.00 C ATOM 339 C TRP A 21 0.956 13.695 8.524 1.00 0.00 C ATOM 340 O TRP A 21 0.278 12.698 8.666 1.00 0.00 O ATOM 341 CB TRP A 21 2.239 13.043 6.448 1.00 0.00 C ATOM 342 CG TRP A 21 1.385 11.756 6.398 1.00 0.00 C ATOM 343 CD1 TRP A 21 0.088 11.732 6.089 1.00 0.00 C ATOM 344 CD2 TRP A 21 1.863 10.531 6.502 1.00 0.00 C ATOM 345 NE1 TRP A 21 -0.194 10.413 5.994 1.00 0.00 N ATOM 346 CE2 TRP A 21 0.882 9.589 6.243 1.00 0.00 C ATOM 347 CE3 TRP A 21 3.139 10.112 6.830 1.00 0.00 C ATOM 348 CZ2 TRP A 21 1.175 8.243 6.305 1.00 0.00 C ATOM 349 CZ3 TRP A 21 3.429 8.760 6.895 1.00 0.00 C ATOM 350 CH2 TRP A 21 2.448 7.829 6.632 1.00 0.00 C ATOM 0 H TRP A 21 2.815 11.937 9.099 1.00 0.00 H new ATOM 0 HA TRP A 21 2.744 14.635 7.827 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.807 13.790 5.783 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.241 12.827 6.077 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.580 12.569 5.948 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.121 10.059 5.759 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.910 10.840 7.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.407 7.513 6.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.426 8.434 7.152 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.677 6.775 6.682 1.00 0.00 H new ATOM 361 N LEU A 22 0.570 14.891 8.899 1.00 0.00 N ATOM 362 CA LEU A 22 -0.755 15.077 9.535 1.00 0.00 C ATOM 363 C LEU A 22 -1.876 15.073 8.509 1.00 0.00 C ATOM 364 O LEU A 22 -1.665 15.354 7.345 1.00 0.00 O ATOM 365 CB LEU A 22 -0.762 16.453 10.242 1.00 0.00 C ATOM 366 CG LEU A 22 0.000 16.386 11.587 1.00 0.00 C ATOM 367 CD1 LEU A 22 -0.855 15.668 12.639 1.00 0.00 C ATOM 368 CD2 LEU A 22 1.326 15.632 11.410 1.00 0.00 C ATOM 0 H LEU A 22 1.122 15.742 8.788 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.919 14.256 10.233 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.302 17.201 9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.790 16.771 10.417 1.00 0.00 H new ATOM 0 HG LEU A 22 0.207 17.403 11.919 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.311 15.625 13.583 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.788 16.212 12.783 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.074 14.655 12.300 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.852 15.592 12.364 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.125 14.618 11.064 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.944 16.150 10.676 1.00 0.00 H new ATOM 380 N ARG A 23 -3.053 14.747 8.977 1.00 0.00 N ATOM 381 CA ARG A 23 -4.234 14.705 8.081 1.00 0.00 C ATOM 382 C ARG A 23 -5.400 15.486 8.720 1.00 0.00 C ATOM 383 O ARG A 23 -5.434 15.661 9.922 1.00 0.00 O ATOM 384 CB ARG A 23 -4.643 13.226 7.931 1.00 0.00 C ATOM 385 CG ARG A 23 -3.949 12.619 6.703 1.00 0.00 C ATOM 386 CD ARG A 23 -3.629 11.153 6.988 1.00 0.00 C ATOM 387 NE ARG A 23 -4.743 10.558 7.778 1.00 0.00 N ATOM 388 CZ ARG A 23 -5.066 9.308 7.592 1.00 0.00 C ATOM 389 NH1 ARG A 23 -4.121 8.441 7.346 1.00 0.00 N ATOM 390 NH2 ARG A 23 -6.322 8.967 7.664 1.00 0.00 N ATOM 0 H ARG A 23 -3.242 14.507 9.950 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.998 15.150 7.115 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.369 12.670 8.828 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.725 13.147 7.825 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.593 12.701 5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.034 13.167 6.478 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.497 10.608 6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.692 11.072 7.539 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.249 11.124 8.459 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.148 8.745 7.302 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.355 7.459 7.198 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.031 9.672 7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.595 7.995 7.522 1.00 0.00 H new ATOM 404 N PRO A 24 -6.348 15.947 7.901 1.00 0.00 N ATOM 405 CA PRO A 24 -7.488 16.700 8.422 1.00 0.00 C ATOM 406 C PRO A 24 -8.227 15.921 9.505 1.00 0.00 C ATOM 407 O PRO A 24 -7.944 14.764 9.746 1.00 0.00 O ATOM 408 CB PRO A 24 -8.419 16.907 7.208 1.00 0.00 C ATOM 409 CG PRO A 24 -7.720 16.267 5.971 1.00 0.00 C ATOM 410 CD PRO A 24 -6.354 15.739 6.439 1.00 0.00 C ATOM 0 HA PRO A 24 -7.165 17.637 8.876 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.389 16.442 7.384 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.600 17.969 7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.326 15.457 5.564 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.596 17.003 5.177 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.231 14.685 6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.537 16.278 5.960 1.00 0.00 H new ATOM 418 N VAL A 25 -9.163 16.574 10.140 1.00 0.00 N ATOM 419 CA VAL A 25 -9.931 15.896 11.207 1.00 0.00 C ATOM 420 C VAL A 25 -11.133 15.167 10.624 1.00 0.00 C ATOM 421 O VAL A 25 -11.542 15.428 9.511 1.00 0.00 O ATOM 422 CB VAL A 25 -10.431 16.964 12.197 1.00 0.00 C ATOM 423 CG1 VAL A 25 -9.370 18.062 12.342 1.00 0.00 C ATOM 424 CG2 VAL A 25 -11.722 17.586 11.672 1.00 0.00 C ATOM 0 H VAL A 25 -9.424 17.544 9.962 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.289 15.170 11.705 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.616 16.498 13.165 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.723 18.819 13.043 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.444 17.626 12.715 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.188 18.523 11.371 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.074 18.342 12.375 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.535 18.050 10.704 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.481 16.811 11.562 1.00 0.00 H new ATOM 434 N LEU A 26 -11.681 14.263 11.387 1.00 0.00 N ATOM 435 CA LEU A 26 -12.852 13.513 10.892 1.00 0.00 C ATOM 436 C LEU A 26 -14.070 14.417 10.851 1.00 0.00 C ATOM 437 O LEU A 26 -14.537 14.787 9.794 1.00 0.00 O ATOM 438 CB LEU A 26 -13.143 12.319 11.850 1.00 0.00 C ATOM 439 CG LEU A 26 -12.013 12.164 12.882 1.00 0.00 C ATOM 440 CD1 LEU A 26 -12.183 13.200 14.001 1.00 0.00 C ATOM 441 CD2 LEU A 26 -12.082 10.763 13.490 1.00 0.00 C ATOM 0 H LEU A 26 -11.366 14.017 12.325 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.639 13.146 9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.091 12.480 12.363 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.245 11.400 11.273 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.052 12.316 12.390 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.380 13.085 14.729 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.147 14.203 13.576 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -13.143 13.049 14.494 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.284 10.645 14.223 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.047 10.625 13.978 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.965 10.018 12.703 1.00 0.00 H new ATOM 453 N ARG A 27 -14.548 14.764 12.005 1.00 0.00 N ATOM 454 CA ARG A 27 -15.740 15.646 12.070 1.00 0.00 C ATOM 455 C ARG A 27 -15.684 16.543 13.299 1.00 0.00 C ATOM 456 O ARG A 27 -16.462 17.468 13.431 1.00 0.00 O ATOM 457 CB ARG A 27 -16.992 14.762 12.170 1.00 0.00 C ATOM 458 CG ARG A 27 -17.045 13.828 10.962 1.00 0.00 C ATOM 459 CD ARG A 27 -18.447 13.223 10.855 1.00 0.00 C ATOM 460 NE ARG A 27 -18.329 11.796 10.444 1.00 0.00 N ATOM 461 CZ ARG A 27 -18.560 11.465 9.204 1.00 0.00 C ATOM 462 NH1 ARG A 27 -17.730 11.864 8.279 1.00 0.00 N ATOM 463 NH2 ARG A 27 -19.615 10.747 8.927 1.00 0.00 N ATOM 0 H ARG A 27 -14.167 14.477 12.906 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.767 16.271 11.178 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -16.970 14.182 13.093 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -17.888 15.382 12.205 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -16.802 14.377 10.052 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -16.302 13.038 11.065 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -18.963 13.298 11.812 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -19.041 13.776 10.128 1.00 0.00 H new ATOM 0 HE ARG A 27 -18.070 11.084 11.127 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -16.917 12.425 8.531 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -17.895 11.615 7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -20.243 10.454 9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -19.811 10.479 7.962 1.00 0.00 H new ATOM 477 N SER A 28 -14.764 16.255 14.177 1.00 0.00 N ATOM 478 CA SER A 28 -14.642 17.074 15.399 1.00 0.00 C ATOM 479 C SER A 28 -13.600 18.172 15.228 1.00 0.00 C ATOM 480 O SER A 28 -13.765 19.071 14.428 1.00 0.00 O ATOM 481 CB SER A 28 -14.208 16.151 16.541 1.00 0.00 C ATOM 482 OG SER A 28 -15.352 15.351 16.795 1.00 0.00 O ATOM 0 H SER A 28 -14.096 15.488 14.095 1.00 0.00 H new ATOM 0 HA SER A 28 -15.601 17.547 15.610 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.351 15.541 16.256 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.916 16.720 17.424 1.00 0.00 H new ATOM 0 HG SER A 28 -15.157 14.723 17.521 1.00 0.00 H new ATOM 488 N ASN A 29 -12.546 18.079 15.988 1.00 0.00 N ATOM 489 CA ASN A 29 -11.485 19.098 15.892 1.00 0.00 C ATOM 490 C ASN A 29 -10.108 18.495 16.161 1.00 0.00 C ATOM 491 O ASN A 29 -9.162 19.206 16.438 1.00 0.00 O ATOM 492 CB ASN A 29 -11.776 20.149 16.962 1.00 0.00 C ATOM 493 CG ASN A 29 -11.232 19.667 18.312 1.00 0.00 C ATOM 494 OD1 ASN A 29 -11.122 18.483 18.563 1.00 0.00 O ATOM 495 ND2 ASN A 29 -10.891 20.549 19.209 1.00 0.00 N ATOM 0 H ASN A 29 -12.380 17.338 16.669 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.476 19.522 14.888 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.315 21.098 16.690 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.849 20.325 17.032 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.535 20.244 20.115 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.981 21.544 19.005 1.00 0.00 H new ATOM 502 N ARG A 30 -10.020 17.198 16.081 1.00 0.00 N ATOM 503 CA ARG A 30 -8.724 16.542 16.328 1.00 0.00 C ATOM 504 C ARG A 30 -7.935 16.369 15.047 1.00 0.00 C ATOM 505 O ARG A 30 -8.492 16.219 13.988 1.00 0.00 O ATOM 506 CB ARG A 30 -9.007 15.164 16.904 1.00 0.00 C ATOM 507 CG ARG A 30 -9.750 15.322 18.221 1.00 0.00 C ATOM 508 CD ARG A 30 -9.101 14.423 19.254 1.00 0.00 C ATOM 509 NE ARG A 30 -9.892 14.480 20.517 1.00 0.00 N ATOM 510 CZ ARG A 30 -10.739 13.524 20.788 1.00 0.00 C ATOM 511 NH1 ARG A 30 -11.733 13.312 19.968 1.00 0.00 N ATOM 512 NH2 ARG A 30 -10.566 12.813 21.867 1.00 0.00 N ATOM 0 H ARG A 30 -10.792 16.571 15.855 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.139 17.160 17.009 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.602 14.578 16.204 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.074 14.622 17.060 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.719 16.361 18.551 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.800 15.058 18.097 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.055 13.398 18.885 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.075 14.742 19.438 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.772 15.259 21.164 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.837 13.889 19.133 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.405 12.570 20.162 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.778 13.007 22.485 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.219 12.062 22.093 1.00 0.00 H new ATOM 526 N VAL A 31 -6.646 16.377 15.178 1.00 0.00 N ATOM 527 CA VAL A 31 -5.788 16.214 13.976 1.00 0.00 C ATOM 528 C VAL A 31 -5.327 14.772 13.853 1.00 0.00 C ATOM 529 O VAL A 31 -4.969 14.152 14.834 1.00 0.00 O ATOM 530 CB VAL A 31 -4.557 17.124 14.124 1.00 0.00 C ATOM 531 CG1 VAL A 31 -4.950 18.558 13.763 1.00 0.00 C ATOM 532 CG2 VAL A 31 -4.064 17.088 15.575 1.00 0.00 C ATOM 0 H VAL A 31 -6.147 16.489 16.061 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.357 16.482 13.086 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.764 16.777 13.462 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.082 19.210 13.865 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.308 18.589 12.734 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.740 18.898 14.432 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.192 17.733 15.679 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.856 17.439 16.237 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.794 16.066 15.842 1.00 0.00 H new ATOM 542 N GLU A 32 -5.339 14.257 12.654 1.00 0.00 N ATOM 543 CA GLU A 32 -4.899 12.857 12.479 1.00 0.00 C ATOM 544 C GLU A 32 -3.407 12.793 12.233 1.00 0.00 C ATOM 545 O GLU A 32 -2.900 13.388 11.306 1.00 0.00 O ATOM 546 CB GLU A 32 -5.623 12.259 11.269 1.00 0.00 C ATOM 547 CG GLU A 32 -6.891 11.546 11.743 1.00 0.00 C ATOM 548 CD GLU A 32 -7.630 10.973 10.533 1.00 0.00 C ATOM 549 OE1 GLU A 32 -7.306 9.850 10.182 1.00 0.00 O ATOM 550 OE2 GLU A 32 -8.477 11.690 10.026 1.00 0.00 O ATOM 0 H GLU A 32 -5.630 14.741 11.805 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.133 12.298 13.385 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.878 13.045 10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.970 11.558 10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.634 10.747 12.439 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.535 12.242 12.280 1.00 0.00 H new ATOM 557 N TYR A 33 -2.733 12.070 13.071 1.00 0.00 N ATOM 558 CA TYR A 33 -1.275 11.942 12.923 1.00 0.00 C ATOM 559 C TYR A 33 -0.944 10.657 12.225 1.00 0.00 C ATOM 560 O TYR A 33 -1.432 9.621 12.604 1.00 0.00 O ATOM 561 CB TYR A 33 -0.667 11.881 14.323 1.00 0.00 C ATOM 562 CG TYR A 33 0.750 12.442 14.303 1.00 0.00 C ATOM 563 CD1 TYR A 33 1.762 11.760 13.665 1.00 0.00 C ATOM 564 CD2 TYR A 33 1.040 13.630 14.940 1.00 0.00 C ATOM 565 CE1 TYR A 33 3.049 12.256 13.666 1.00 0.00 C ATOM 566 CE2 TYR A 33 2.324 14.127 14.940 1.00 0.00 C ATOM 567 CZ TYR A 33 3.339 13.445 14.303 1.00 0.00 C ATOM 568 OH TYR A 33 4.625 13.948 14.297 1.00 0.00 O ATOM 0 H TYR A 33 -3.137 11.560 13.857 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.888 12.784 12.349 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.282 12.450 15.020 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.654 10.850 14.678 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.546 10.830 13.160 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.254 14.175 15.443 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.835 11.710 13.165 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.538 15.058 15.443 1.00 0.00 H new ATOM 0 HH TYR A 33 4.648 14.794 14.792 1.00 0.00 H new ATOM 578 N CYS A 34 -0.133 10.737 11.210 1.00 0.00 N ATOM 579 CA CYS A 34 0.226 9.500 10.490 1.00 0.00 C ATOM 580 C CYS A 34 1.686 9.507 10.067 1.00 0.00 C ATOM 581 O CYS A 34 2.098 10.313 9.256 1.00 0.00 O ATOM 582 CB CYS A 34 -0.664 9.365 9.254 1.00 0.00 C ATOM 583 SG CYS A 34 -2.233 8.487 9.470 1.00 0.00 S ATOM 0 H CYS A 34 0.289 11.595 10.856 1.00 0.00 H new ATOM 0 HA CYS A 34 0.075 8.654 11.161 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.883 10.366 8.882 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.093 8.855 8.478 1.00 0.00 H new ATOM 588 N TRP A 35 2.443 8.596 10.640 1.00 0.00 N ATOM 589 CA TRP A 35 3.885 8.509 10.306 1.00 0.00 C ATOM 590 C TRP A 35 4.280 7.080 9.945 1.00 0.00 C ATOM 591 O TRP A 35 3.717 6.138 10.444 1.00 0.00 O ATOM 592 CB TRP A 35 4.687 8.956 11.532 1.00 0.00 C ATOM 593 CG TRP A 35 5.105 7.724 12.348 1.00 0.00 C ATOM 594 CD1 TRP A 35 6.185 7.029 12.092 1.00 0.00 C ATOM 595 CD2 TRP A 35 4.481 7.260 13.417 1.00 0.00 C ATOM 596 NE1 TRP A 35 6.222 6.106 13.058 1.00 0.00 N ATOM 597 CE2 TRP A 35 5.171 6.181 13.952 1.00 0.00 C ATOM 598 CE3 TRP A 35 3.309 7.685 14.023 1.00 0.00 C ATOM 599 CZ2 TRP A 35 4.698 5.544 15.082 1.00 0.00 C ATOM 600 CZ3 TRP A 35 2.840 7.042 15.152 1.00 0.00 C ATOM 601 CH2 TRP A 35 3.534 5.975 15.681 1.00 0.00 C ATOM 0 H TRP A 35 2.115 7.914 11.323 1.00 0.00 H new ATOM 0 HA TRP A 35 4.092 9.147 9.447 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.569 9.514 11.219 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.087 9.627 12.147 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.887 7.170 11.283 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.962 5.407 13.129 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.762 8.520 13.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.241 4.707 15.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.927 7.376 15.622 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.165 5.476 16.565 1.00 0.00 H new ATOM 612 N CYS A 36 5.265 6.956 9.091 1.00 0.00 N ATOM 613 CA CYS A 36 5.723 5.592 8.670 1.00 0.00 C ATOM 614 C CYS A 36 6.679 4.948 9.670 1.00 0.00 C ATOM 615 O CYS A 36 7.742 5.465 9.935 1.00 0.00 O ATOM 616 CB CYS A 36 6.476 5.735 7.348 1.00 0.00 C ATOM 617 SG CYS A 36 6.344 4.377 6.156 1.00 0.00 S ATOM 0 H CYS A 36 5.771 7.734 8.668 1.00 0.00 H new ATOM 0 HA CYS A 36 4.838 4.960 8.593 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.128 6.645 6.860 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.532 5.880 7.577 1.00 0.00 H new ATOM 622 N ASN A 37 6.298 3.805 10.181 1.00 0.00 N ATOM 623 CA ASN A 37 7.178 3.115 11.161 1.00 0.00 C ATOM 624 C ASN A 37 8.025 2.077 10.446 1.00 0.00 C ATOM 625 O ASN A 37 9.014 1.603 10.970 1.00 0.00 O ATOM 626 CB ASN A 37 6.301 2.400 12.199 1.00 0.00 C ATOM 627 CG ASN A 37 7.141 2.080 13.438 1.00 0.00 C ATOM 628 OD1 ASN A 37 7.415 2.937 14.254 1.00 0.00 O ATOM 629 ND2 ASN A 37 7.569 0.860 13.617 1.00 0.00 N ATOM 0 H ASN A 37 5.424 3.327 9.963 1.00 0.00 H new ATOM 0 HA ASN A 37 7.824 3.847 11.646 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.455 3.030 12.472 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.892 1.482 11.776 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.130 0.631 14.438 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.343 0.135 12.936 1.00 0.00 H new ATOM 636 N SER A 38 7.616 1.747 9.251 1.00 0.00 N ATOM 637 CA SER A 38 8.370 0.742 8.468 1.00 0.00 C ATOM 638 C SER A 38 7.812 0.638 7.055 1.00 0.00 C ATOM 639 O SER A 38 8.550 0.485 6.102 1.00 0.00 O ATOM 640 CB SER A 38 8.222 -0.622 9.156 1.00 0.00 C ATOM 641 OG SER A 38 6.832 -0.902 9.076 1.00 0.00 O ATOM 0 H SER A 38 6.793 2.132 8.788 1.00 0.00 H new ATOM 0 HA SER A 38 9.417 1.041 8.415 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.812 -1.388 8.653 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.562 -0.585 10.191 1.00 0.00 H new ATOM 0 HG SER A 38 6.648 -1.768 9.496 1.00 0.00 H new ATOM 647 N GLY A 39 6.514 0.724 6.947 1.00 0.00 N ATOM 648 CA GLY A 39 5.885 0.632 5.601 1.00 0.00 C ATOM 649 C GLY A 39 4.385 0.350 5.729 1.00 0.00 C ATOM 650 O GLY A 39 3.730 0.031 4.754 1.00 0.00 O ATOM 0 H GLY A 39 5.868 0.853 7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.041 1.563 5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.362 -0.160 5.023 1.00 0.00 H new ATOM 654 N ARG A 40 3.873 0.477 6.934 1.00 0.00 N ATOM 655 CA ARG A 40 2.415 0.222 7.152 1.00 0.00 C ATOM 656 C ARG A 40 1.702 1.505 7.540 1.00 0.00 C ATOM 657 O ARG A 40 0.497 1.527 7.701 1.00 0.00 O ATOM 658 CB ARG A 40 2.258 -0.799 8.296 1.00 0.00 C ATOM 659 CG ARG A 40 2.906 -0.254 9.573 1.00 0.00 C ATOM 660 CD ARG A 40 3.297 -1.432 10.470 1.00 0.00 C ATOM 661 NE ARG A 40 3.457 -0.951 11.873 1.00 0.00 N ATOM 662 CZ ARG A 40 3.242 -1.778 12.861 1.00 0.00 C ATOM 663 NH1 ARG A 40 2.018 -2.151 13.118 1.00 0.00 N ATOM 664 NH2 ARG A 40 4.260 -2.208 13.556 1.00 0.00 N ATOM 0 H ARG A 40 4.398 0.744 7.767 1.00 0.00 H new ATOM 0 HA ARG A 40 1.979 -0.160 6.229 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.202 -1.002 8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.722 -1.745 8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.786 0.340 9.326 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.213 0.405 10.096 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.533 -2.208 10.424 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.227 -1.879 10.118 1.00 0.00 H new ATOM 0 HE ARG A 40 3.731 0.014 12.059 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.247 -1.797 12.551 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.832 -2.796 13.886 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.204 -1.898 13.324 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.112 -2.854 14.331 1.00 0.00 H new ATOM 678 N ALA A 41 2.460 2.551 7.681 1.00 0.00 N ATOM 679 CA ALA A 41 1.853 3.846 8.056 1.00 0.00 C ATOM 680 C ALA A 41 1.256 3.786 9.455 1.00 0.00 C ATOM 681 O ALA A 41 0.165 3.286 9.655 1.00 0.00 O ATOM 682 CB ALA A 41 0.735 4.181 7.048 1.00 0.00 C ATOM 0 H ALA A 41 3.472 2.563 7.552 1.00 0.00 H new ATOM 0 HA ALA A 41 2.628 4.612 8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.279 5.135 7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.157 4.248 6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.023 3.398 7.071 1.00 0.00 H new ATOM 688 N GLN A 42 1.987 4.292 10.403 1.00 0.00 N ATOM 689 CA GLN A 42 1.490 4.281 11.794 1.00 0.00 C ATOM 690 C GLN A 42 0.693 5.544 12.036 1.00 0.00 C ATOM 691 O GLN A 42 1.004 6.564 11.470 1.00 0.00 O ATOM 692 CB GLN A 42 2.708 4.275 12.727 1.00 0.00 C ATOM 693 CG GLN A 42 2.735 2.968 13.525 1.00 0.00 C ATOM 694 CD GLN A 42 1.599 2.974 14.554 1.00 0.00 C ATOM 695 OE1 GLN A 42 0.435 2.991 14.210 1.00 0.00 O ATOM 696 NE2 GLN A 42 1.893 2.957 15.825 1.00 0.00 N ATOM 0 H GLN A 42 2.907 4.712 10.271 1.00 0.00 H new ATOM 0 HA GLN A 42 0.862 3.409 11.975 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.625 4.378 12.146 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.664 5.127 13.406 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.627 2.117 12.853 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.695 2.857 14.028 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.868 2.943 16.123 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.147 2.958 16.521 1.00 0.00 H new ATOM 705 N CYS A 43 -0.330 5.479 12.855 1.00 0.00 N ATOM 706 CA CYS A 43 -1.108 6.724 13.086 1.00 0.00 C ATOM 707 C CYS A 43 -1.768 6.797 14.448 1.00 0.00 C ATOM 708 O CYS A 43 -1.971 5.806 15.119 1.00 0.00 O ATOM 709 CB CYS A 43 -2.206 6.813 12.008 1.00 0.00 C ATOM 710 SG CYS A 43 -1.693 6.706 10.273 1.00 0.00 S ATOM 0 H CYS A 43 -0.647 4.648 13.354 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.401 7.552 13.036 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.925 6.016 12.195 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.734 7.757 12.144 1.00 0.00 H new ATOM 715 N HIS A 44 -2.088 8.012 14.811 1.00 0.00 N ATOM 716 CA HIS A 44 -2.746 8.276 16.114 1.00 0.00 C ATOM 717 C HIS A 44 -3.518 9.576 16.017 1.00 0.00 C ATOM 718 O HIS A 44 -3.581 10.169 14.958 1.00 0.00 O ATOM 719 CB HIS A 44 -1.683 8.376 17.229 1.00 0.00 C ATOM 720 CG HIS A 44 -0.812 9.619 17.044 1.00 0.00 C ATOM 721 ND1 HIS A 44 0.412 9.600 16.800 1.00 0.00 N ATOM 722 CD2 HIS A 44 -1.144 10.956 17.155 1.00 0.00 C ATOM 723 CE1 HIS A 44 0.894 10.770 16.748 1.00 0.00 C ATOM 724 NE2 HIS A 44 -0.028 11.708 16.962 1.00 0.00 N ATOM 0 H HIS A 44 -1.916 8.843 14.246 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.428 7.460 16.355 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.173 8.412 18.202 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.057 7.484 17.221 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.131 11.341 17.362 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.934 10.983 16.552 1.00 0.00 H new ATOM 0 HE2 HIS A 44 0.076 12.723 16.977 1.00 0.00 H new ATOM 732 N SER A 45 -4.097 10.005 17.103 1.00 0.00 N ATOM 733 CA SER A 45 -4.870 11.281 17.047 1.00 0.00 C ATOM 734 C SER A 45 -4.710 12.123 18.310 1.00 0.00 C ATOM 735 O SER A 45 -5.092 11.711 19.389 1.00 0.00 O ATOM 736 CB SER A 45 -6.354 10.924 16.883 1.00 0.00 C ATOM 737 OG SER A 45 -7.032 11.862 17.705 1.00 0.00 O ATOM 0 H SER A 45 -4.072 9.540 18.011 1.00 0.00 H new ATOM 0 HA SER A 45 -4.491 11.871 16.212 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.670 11.005 15.843 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.554 9.900 17.199 1.00 0.00 H new ATOM 0 HG SER A 45 -7.128 11.495 18.609 1.00 0.00 H new ATOM 743 N VAL A 46 -4.140 13.298 18.138 1.00 0.00 N ATOM 744 CA VAL A 46 -3.933 14.211 19.296 1.00 0.00 C ATOM 745 C VAL A 46 -4.823 15.475 19.122 1.00 0.00 C ATOM 746 O VAL A 46 -4.763 16.108 18.087 1.00 0.00 O ATOM 747 CB VAL A 46 -2.465 14.679 19.293 1.00 0.00 C ATOM 748 CG1 VAL A 46 -2.109 15.221 20.676 1.00 0.00 C ATOM 749 CG2 VAL A 46 -1.548 13.505 18.967 1.00 0.00 C ATOM 0 H VAL A 46 -3.812 13.657 17.241 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.183 13.690 20.220 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.337 15.458 18.541 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.071 15.554 20.680 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.760 16.061 20.916 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.241 14.435 21.420 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.511 13.842 18.966 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.675 12.725 19.717 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.801 13.108 17.984 1.00 0.00 H new ATOM 759 N PRO A 47 -5.640 15.840 20.125 1.00 0.00 N ATOM 760 CA PRO A 47 -6.484 17.022 19.987 1.00 0.00 C ATOM 761 C PRO A 47 -5.639 18.265 19.759 1.00 0.00 C ATOM 762 O PRO A 47 -4.426 18.201 19.750 1.00 0.00 O ATOM 763 CB PRO A 47 -7.238 17.146 21.325 1.00 0.00 C ATOM 764 CG PRO A 47 -6.769 15.970 22.232 1.00 0.00 C ATOM 765 CD PRO A 47 -5.765 15.135 21.416 1.00 0.00 C ATOM 0 HA PRO A 47 -7.159 16.930 19.136 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.026 18.105 21.798 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.315 17.102 21.165 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.304 16.349 23.142 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.618 15.359 22.538 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.803 15.068 21.924 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.123 14.115 21.275 1.00 0.00 H new ATOM 773 N VAL A 48 -6.290 19.372 19.578 1.00 0.00 N ATOM 774 CA VAL A 48 -5.540 20.626 19.349 1.00 0.00 C ATOM 775 C VAL A 48 -5.236 21.326 20.668 1.00 0.00 C ATOM 776 O VAL A 48 -4.398 22.203 20.730 1.00 0.00 O ATOM 777 CB VAL A 48 -6.406 21.542 18.482 1.00 0.00 C ATOM 778 CG1 VAL A 48 -7.569 22.080 19.321 1.00 0.00 C ATOM 779 CG2 VAL A 48 -5.559 22.712 17.976 1.00 0.00 C ATOM 0 H VAL A 48 -7.306 19.462 19.579 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.594 20.398 18.858 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.796 20.982 17.632 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.189 22.733 18.707 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.170 21.247 19.686 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.177 22.643 20.168 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.174 23.366 17.358 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.171 23.275 18.825 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.727 22.330 17.384 1.00 0.00 H new ATOM 789 N LYS A 49 -5.924 20.923 21.702 1.00 0.00 N ATOM 790 CA LYS A 49 -5.691 21.553 23.025 1.00 0.00 C ATOM 791 C LYS A 49 -4.437 20.988 23.682 1.00 0.00 C ATOM 792 O LYS A 49 -4.423 19.857 24.126 1.00 0.00 O ATOM 793 CB LYS A 49 -6.901 21.248 23.925 1.00 0.00 C ATOM 794 CG LYS A 49 -6.876 22.181 25.136 1.00 0.00 C ATOM 795 CD LYS A 49 -7.651 21.531 26.286 1.00 0.00 C ATOM 796 CE LYS A 49 -9.041 21.124 25.791 1.00 0.00 C ATOM 797 NZ LYS A 49 -10.003 21.062 26.927 1.00 0.00 N ATOM 0 H LYS A 49 -6.632 20.189 21.685 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.560 22.627 22.891 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.827 21.382 23.367 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.873 20.208 24.251 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.847 22.376 25.439 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.321 23.142 24.879 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.113 20.658 26.655 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.739 22.227 27.120 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.393 21.840 25.048 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.988 20.153 25.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.941 20.784 26.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.674 20.362 27.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.066 21.996 27.380 1.00 0.00 H new ATOM 811 N SER A 50 -3.403 21.786 23.732 1.00 0.00 N ATOM 812 CA SER A 50 -2.143 21.308 24.356 1.00 0.00 C ATOM 813 C SER A 50 -2.249 21.325 25.876 1.00 0.00 C ATOM 814 O SER A 50 -2.829 22.279 26.368 1.00 0.00 O ATOM 815 CB SER A 50 -1.004 22.247 23.930 1.00 0.00 C ATOM 816 OG SER A 50 -1.489 23.545 24.238 1.00 0.00 O ATOM 817 OXT SER A 50 -1.741 20.384 26.465 1.00 0.00 O ATOM 0 H SER A 50 -3.379 22.739 23.370 1.00 0.00 H new ATOM 0 HA SER A 50 -1.952 20.285 24.031 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.083 22.027 24.471 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.781 22.147 22.868 1.00 0.00 H new ATOM 0 HG SER A 50 -2.167 23.482 24.943 1.00 0.00 H new TER 823 SER A 50