USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 487 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 Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -5.63! C(o=-5.6!,f=-13!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0214 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0745 K(o=-0.075,f=-0.85) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -128:sc= -4.67! (180deg=-11.2!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -146:sc= -0.244 (180deg=-1.57) USER MOD Single : A 28 SER OG : rot 180:sc= -0.159 USER MOD Single : A 31 THR OG1 : rot -10:sc= 0.714 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.603 K(o=-0.6,f=-4.4!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.142 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -3.88! K(o=-3.9!,f=0.39) USER MOD Single : A 56 THR OG1 : rot 157:sc= -1.35 USER MOD Single : A 60 ASN : amide:sc= -4.24! C(o=-4.2!,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.747 12.191 -1.304 1.00 0.00 N ATOM 2 CA LEU A 1 6.270 11.087 -0.489 1.00 0.00 C ATOM 3 C LEU A 1 6.792 9.769 -1.066 1.00 0.00 C ATOM 4 O LEU A 1 6.397 9.366 -2.159 1.00 0.00 O ATOM 5 CB LEU A 1 4.747 11.139 -0.354 1.00 0.00 C ATOM 6 CG LEU A 1 4.208 11.498 1.032 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.265 13.008 1.268 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.798 10.939 1.233 1.00 0.00 C ATOM 0 H1 LEU A 1 6.394 13.088 -0.914 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.787 12.199 -1.304 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.402 12.077 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 1 6.659 11.167 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.363 11.865 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.344 10.167 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 1 4.849 11.031 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.876 13.236 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.298 13.349 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.662 13.517 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.438 11.208 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.130 11.357 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.820 9.853 1.137 1.00 0.00 H new ATOM 20 N LYS A 2 7.672 9.134 -0.305 1.00 0.00 N ATOM 21 CA LYS A 2 8.251 7.871 -0.728 1.00 0.00 C ATOM 22 C LYS A 2 7.795 6.762 0.222 1.00 0.00 C ATOM 23 O LYS A 2 7.660 6.986 1.424 1.00 0.00 O ATOM 24 CB LYS A 2 9.773 7.992 -0.846 1.00 0.00 C ATOM 25 CG LYS A 2 10.161 8.917 -2.000 1.00 0.00 C ATOM 26 CD LYS A 2 10.942 10.131 -1.492 1.00 0.00 C ATOM 27 CE LYS A 2 11.939 10.621 -2.543 1.00 0.00 C ATOM 28 NZ LYS A 2 12.170 12.076 -2.399 1.00 0.00 N ATOM 0 H LYS A 2 7.997 9.471 0.601 1.00 0.00 H new ATOM 0 HA LYS A 2 7.897 7.604 -1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.184 8.377 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.209 7.005 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.765 8.368 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.263 9.250 -2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.249 10.934 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.473 9.869 -0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.882 10.085 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.560 10.404 -3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.849 12.393 -3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.271 12.584 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.552 12.275 -1.452 1.00 0.00 H new ATOM 42 N CYS A 3 7.568 5.590 -0.352 1.00 0.00 N ATOM 43 CA CYS A 3 7.129 4.446 0.428 1.00 0.00 C ATOM 44 C CYS A 3 7.923 3.220 -0.028 1.00 0.00 C ATOM 45 O CYS A 3 8.534 3.234 -1.096 1.00 0.00 O ATOM 46 CB CYS A 3 5.620 4.225 0.309 1.00 0.00 C ATOM 47 SG CYS A 3 4.637 5.751 0.071 1.00 0.00 S ATOM 0 H CYS A 3 7.680 5.408 -1.349 1.00 0.00 H new ATOM 0 HA CYS A 3 7.320 4.629 1.485 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.430 3.553 -0.528 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.269 3.720 1.209 1.00 0.00 H new ATOM 52 N ASN A 4 7.889 2.190 0.805 1.00 0.00 N ATOM 53 CA ASN A 4 8.598 0.958 0.500 1.00 0.00 C ATOM 54 C ASN A 4 7.786 0.144 -0.509 1.00 0.00 C ATOM 55 O ASN A 4 6.572 0.315 -0.618 1.00 0.00 O ATOM 56 CB ASN A 4 8.784 0.105 1.756 1.00 0.00 C ATOM 57 CG ASN A 4 8.969 0.985 2.994 1.00 0.00 C ATOM 58 OD1 ASN A 4 9.414 2.119 2.921 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.605 0.401 4.132 1.00 0.00 N ATOM 0 H ASN A 4 7.382 2.183 1.690 1.00 0.00 H new ATOM 0 HA ASN A 4 9.575 1.222 0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.918 -0.542 1.892 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.651 -0.544 1.634 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.691 0.905 5.014 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.240 -0.551 4.122 1.00 0.00 H new ATOM 66 N LYS A 5 8.487 -0.725 -1.221 1.00 0.00 N ATOM 67 CA LYS A 5 7.847 -1.567 -2.217 1.00 0.00 C ATOM 68 C LYS A 5 7.534 -2.932 -1.601 1.00 0.00 C ATOM 69 O LYS A 5 7.614 -3.101 -0.384 1.00 0.00 O ATOM 70 CB LYS A 5 8.703 -1.646 -3.483 1.00 0.00 C ATOM 71 CG LYS A 5 8.862 -0.267 -4.124 1.00 0.00 C ATOM 72 CD LYS A 5 7.539 0.214 -4.725 1.00 0.00 C ATOM 73 CE LYS A 5 7.063 -0.733 -5.828 1.00 0.00 C ATOM 74 NZ LYS A 5 6.873 0.003 -7.097 1.00 0.00 N ATOM 0 H LYS A 5 9.493 -0.865 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 5 6.897 -1.132 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.684 -2.052 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.243 -2.331 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.207 0.448 -3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.625 -0.309 -4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.782 0.278 -3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.663 1.218 -5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.792 -1.531 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.127 -1.205 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.550 -0.655 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.161 0.749 -6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.774 0.433 -7.387 1.00 0.00 H new ATOM 88 N LEU A 6 7.183 -3.871 -2.467 1.00 0.00 N ATOM 89 CA LEU A 6 6.859 -5.216 -2.022 1.00 0.00 C ATOM 90 C LEU A 6 7.878 -5.663 -0.973 1.00 0.00 C ATOM 91 O LEU A 6 7.505 -6.153 0.092 1.00 0.00 O ATOM 92 CB LEU A 6 6.751 -6.164 -3.218 1.00 0.00 C ATOM 93 CG LEU A 6 5.718 -7.287 -3.093 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.306 -6.766 -3.370 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.081 -8.468 -3.995 1.00 0.00 C ATOM 0 H LEU A 6 7.116 -3.727 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 6 5.881 -5.232 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.512 -5.575 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.729 -6.614 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 6 5.731 -7.651 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.591 -7.583 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.060 -5.983 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.260 -6.360 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.331 -9.252 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.113 -8.137 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.058 -8.858 -3.708 1.00 0.00 H new ATOM 107 N VAL A 7 9.146 -5.477 -1.311 1.00 0.00 N ATOM 108 CA VAL A 7 10.224 -5.855 -0.412 1.00 0.00 C ATOM 109 C VAL A 7 10.676 -4.626 0.380 1.00 0.00 C ATOM 110 O VAL A 7 11.282 -3.713 -0.178 1.00 0.00 O ATOM 111 CB VAL A 7 11.358 -6.510 -1.201 1.00 0.00 C ATOM 112 CG1 VAL A 7 12.184 -7.438 -0.307 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.818 -7.262 -2.419 1.00 0.00 C ATOM 0 H VAL A 7 9.451 -5.070 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 7 9.879 -6.596 0.309 1.00 0.00 H new ATOM 0 HB VAL A 7 12.015 -5.718 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.984 -7.891 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.615 -6.864 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.542 -8.221 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.646 -7.718 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.128 -8.039 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.295 -6.565 -3.074 1.00 0.00 H new ATOM 123 N PRO A 8 10.364 -4.643 1.667 1.00 0.00 N ATOM 124 CA PRO A 8 10.743 -3.507 2.567 1.00 0.00 C ATOM 125 C PRO A 8 12.250 -3.123 2.757 1.00 0.00 C ATOM 126 O PRO A 8 12.587 -2.326 3.631 1.00 0.00 O ATOM 127 CB PRO A 8 10.059 -3.898 3.898 1.00 0.00 C ATOM 128 CG PRO A 8 9.005 -4.946 3.534 1.00 0.00 C ATOM 129 CD PRO A 8 9.628 -5.722 2.375 1.00 0.00 C ATOM 0 HA PRO A 8 10.419 -2.575 2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.783 -4.301 4.606 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.600 -3.030 4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.786 -5.600 4.378 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.065 -4.479 3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.292 -6.515 2.720 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.875 -6.190 1.741 1.00 0.00 H new ATOM 137 N ILE A 9 13.089 -3.715 1.920 1.00 0.00 N ATOM 138 CA ILE A 9 14.517 -3.453 1.980 1.00 0.00 C ATOM 139 C ILE A 9 14.871 -2.347 0.984 1.00 0.00 C ATOM 140 O ILE A 9 16.017 -1.904 0.924 1.00 0.00 O ATOM 141 CB ILE A 9 15.309 -4.746 1.770 1.00 0.00 C ATOM 142 CG1 ILE A 9 16.097 -5.118 3.027 1.00 0.00 C ATOM 143 CG2 ILE A 9 16.210 -4.643 0.537 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.099 -6.631 3.247 1.00 0.00 C ATOM 0 H ILE A 9 12.807 -4.376 1.196 1.00 0.00 H new ATOM 0 HA ILE A 9 14.796 -3.092 2.970 1.00 0.00 H new ATOM 0 HB ILE A 9 14.601 -5.554 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 9 17.122 -4.759 2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 9 15.661 -4.622 3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 9 16.762 -5.575 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 9 15.598 -4.461 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 9 16.913 -3.820 0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 9 16.666 -6.867 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.074 -6.983 3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.558 -7.123 2.389 1.00 0.00 H new ATOM 156 N ALA A 10 13.865 -1.933 0.228 1.00 0.00 N ATOM 157 CA ALA A 10 14.055 -0.886 -0.762 1.00 0.00 C ATOM 158 C ALA A 10 12.727 -0.164 -0.996 1.00 0.00 C ATOM 159 O ALA A 10 11.685 -0.802 -1.137 1.00 0.00 O ATOM 160 CB ALA A 10 14.623 -1.495 -2.046 1.00 0.00 C ATOM 0 H ALA A 10 12.916 -2.303 0.281 1.00 0.00 H new ATOM 0 HA ALA A 10 14.773 -0.147 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.766 -0.710 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.580 -1.970 -1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.928 -2.240 -2.434 1.00 0.00 H new ATOM 166 N TYR A 11 12.807 1.158 -1.030 1.00 0.00 N ATOM 167 CA TYR A 11 11.624 1.974 -1.245 1.00 0.00 C ATOM 168 C TYR A 11 11.839 2.959 -2.396 1.00 0.00 C ATOM 169 O TYR A 11 12.975 3.296 -2.725 1.00 0.00 O ATOM 170 CB TYR A 11 11.413 2.760 0.050 1.00 0.00 C ATOM 171 CG TYR A 11 12.535 3.751 0.367 1.00 0.00 C ATOM 172 CD1 TYR A 11 13.656 3.329 1.054 1.00 0.00 C ATOM 173 CD2 TYR A 11 12.428 5.067 -0.036 1.00 0.00 C ATOM 174 CE1 TYR A 11 14.712 4.261 1.352 1.00 0.00 C ATOM 175 CE2 TYR A 11 13.484 5.999 0.261 1.00 0.00 C ATOM 176 CZ TYR A 11 14.575 5.550 0.941 1.00 0.00 C ATOM 177 OH TYR A 11 15.572 6.431 1.222 1.00 0.00 O ATOM 0 H TYR A 11 13.673 1.684 -0.912 1.00 0.00 H new ATOM 0 HA TYR A 11 10.768 1.349 -1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.470 3.303 -0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.318 2.057 0.878 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.741 2.299 1.368 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.552 5.397 -0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 11 15.593 3.944 1.890 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.413 7.031 -0.049 1.00 0.00 H new ATOM 0 HH TYR A 11 15.338 7.314 0.867 1.00 0.00 H new ATOM 187 N LYS A 12 10.729 3.392 -2.977 1.00 0.00 N ATOM 188 CA LYS A 12 10.782 4.331 -4.084 1.00 0.00 C ATOM 189 C LYS A 12 9.717 5.411 -3.882 1.00 0.00 C ATOM 190 O LYS A 12 8.999 5.400 -2.884 1.00 0.00 O ATOM 191 CB LYS A 12 10.662 3.593 -5.419 1.00 0.00 C ATOM 192 CG LYS A 12 11.943 2.816 -5.732 1.00 0.00 C ATOM 193 CD LYS A 12 12.535 3.255 -7.074 1.00 0.00 C ATOM 194 CE LYS A 12 13.273 2.099 -7.752 1.00 0.00 C ATOM 195 NZ LYS A 12 13.869 2.543 -9.031 1.00 0.00 N ATOM 0 H LYS A 12 9.788 3.110 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 12 11.748 4.835 -4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.815 2.907 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.461 4.308 -6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.673 2.976 -4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.728 1.748 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.739 3.615 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.221 4.088 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.054 1.722 -7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.582 1.275 -7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.366 1.746 -9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.117 2.882 -9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.543 3.314 -8.851 1.00 0.00 H new ATOM 209 N THR A 13 9.650 6.319 -4.845 1.00 0.00 N ATOM 210 CA THR A 13 8.686 7.404 -4.785 1.00 0.00 C ATOM 211 C THR A 13 7.336 6.949 -5.344 1.00 0.00 C ATOM 212 O THR A 13 7.285 6.206 -6.323 1.00 0.00 O ATOM 213 CB THR A 13 9.278 8.604 -5.527 1.00 0.00 C ATOM 214 OG1 THR A 13 10.672 8.538 -5.239 1.00 0.00 O ATOM 215 CG2 THR A 13 8.837 9.940 -4.925 1.00 0.00 C ATOM 0 H THR A 13 10.248 6.325 -5.671 1.00 0.00 H new ATOM 0 HA THR A 13 8.492 7.704 -3.755 1.00 0.00 H new ATOM 0 HB THR A 13 8.984 8.563 -6.576 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.133 9.280 -5.683 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.285 10.759 -5.488 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.751 10.019 -4.972 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.161 9.995 -3.886 1.00 0.00 H new ATOM 223 N CYS A 14 6.278 7.416 -4.699 1.00 0.00 N ATOM 224 CA CYS A 14 4.931 7.066 -5.119 1.00 0.00 C ATOM 225 C CYS A 14 4.683 7.682 -6.498 1.00 0.00 C ATOM 226 O CYS A 14 4.569 8.900 -6.627 1.00 0.00 O ATOM 227 CB CYS A 14 3.884 7.516 -4.097 1.00 0.00 C ATOM 228 SG CYS A 14 3.982 6.671 -2.477 1.00 0.00 S ATOM 0 H CYS A 14 6.325 8.034 -3.889 1.00 0.00 H new ATOM 0 HA CYS A 14 4.838 5.982 -5.183 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.989 8.589 -3.938 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.892 7.352 -4.517 1.00 0.00 H new ATOM 233 N PRO A 15 4.608 6.812 -7.494 1.00 0.00 N ATOM 234 CA PRO A 15 4.369 7.268 -8.901 1.00 0.00 C ATOM 235 C PRO A 15 3.221 8.289 -9.212 1.00 0.00 C ATOM 236 O PRO A 15 2.447 8.648 -8.326 1.00 0.00 O ATOM 237 CB PRO A 15 4.193 5.931 -9.656 1.00 0.00 C ATOM 238 CG PRO A 15 3.906 4.878 -8.584 1.00 0.00 C ATOM 239 CD PRO A 15 4.722 5.338 -7.377 1.00 0.00 C ATOM 0 HA PRO A 15 5.204 7.898 -9.208 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.374 5.992 -10.373 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.091 5.680 -10.220 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.843 4.828 -8.350 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.207 3.883 -8.912 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.311 4.967 -6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.757 5.000 -7.428 1.00 0.00 H new ATOM 247 N GLU A 16 3.171 8.710 -10.467 1.00 0.00 N ATOM 248 CA GLU A 16 2.158 9.659 -10.899 1.00 0.00 C ATOM 249 C GLU A 16 0.759 9.083 -10.669 1.00 0.00 C ATOM 250 O GLU A 16 0.528 7.897 -10.896 1.00 0.00 O ATOM 251 CB GLU A 16 2.359 10.044 -12.366 1.00 0.00 C ATOM 252 CG GLU A 16 3.650 10.844 -12.551 1.00 0.00 C ATOM 253 CD GLU A 16 3.385 12.346 -12.434 1.00 0.00 C ATOM 254 OE1 GLU A 16 2.610 12.717 -11.526 1.00 0.00 O ATOM 255 OE2 GLU A 16 3.964 13.090 -13.255 1.00 0.00 O ATOM 0 H GLU A 16 3.816 8.412 -11.199 1.00 0.00 H new ATOM 0 HA GLU A 16 2.258 10.566 -10.303 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.393 9.144 -12.980 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.509 10.633 -12.711 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.381 10.540 -11.801 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.083 10.622 -13.526 1.00 0.00 H new ATOM 262 N GLY A 17 -0.136 9.951 -10.223 1.00 0.00 N ATOM 263 CA GLY A 17 -1.506 9.544 -9.960 1.00 0.00 C ATOM 264 C GLY A 17 -1.692 9.159 -8.491 1.00 0.00 C ATOM 265 O GLY A 17 -2.772 9.337 -7.930 1.00 0.00 O ATOM 0 H GLY A 17 0.060 10.935 -10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.186 10.357 -10.215 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.766 8.699 -10.597 1.00 0.00 H new ATOM 269 N LYS A 18 -0.621 8.637 -7.910 1.00 0.00 N ATOM 270 CA LYS A 18 -0.652 8.225 -6.517 1.00 0.00 C ATOM 271 C LYS A 18 -0.081 9.345 -5.645 1.00 0.00 C ATOM 272 O LYS A 18 0.624 10.223 -6.140 1.00 0.00 O ATOM 273 CB LYS A 18 0.061 6.883 -6.339 1.00 0.00 C ATOM 274 CG LYS A 18 -0.606 5.793 -7.180 1.00 0.00 C ATOM 275 CD LYS A 18 0.140 5.584 -8.500 1.00 0.00 C ATOM 276 CE LYS A 18 -0.839 5.381 -9.658 1.00 0.00 C ATOM 277 NZ LYS A 18 -0.833 3.970 -10.101 1.00 0.00 N ATOM 0 H LYS A 18 0.273 8.490 -8.379 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.679 8.060 -6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.107 6.982 -6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.047 6.596 -5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.628 4.859 -6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.641 6.068 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.775 6.446 -8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.796 4.717 -8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.844 5.666 -9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.567 6.031 -10.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.503 3.850 -10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.123 3.710 -10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.115 3.357 -9.310 1.00 0.00 H new ATOM 291 N ASN A 19 -0.405 9.277 -4.362 1.00 0.00 N ATOM 292 CA ASN A 19 0.067 10.274 -3.418 1.00 0.00 C ATOM 293 C ASN A 19 0.323 9.607 -2.064 1.00 0.00 C ATOM 294 O ASN A 19 1.336 9.874 -1.419 1.00 0.00 O ATOM 295 CB ASN A 19 -0.975 11.375 -3.211 1.00 0.00 C ATOM 296 CG ASN A 19 -0.565 12.314 -2.074 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.605 12.519 -1.796 1.00 0.00 O ATOM 298 ND2 ASN A 19 -1.590 12.869 -1.435 1.00 0.00 N ATOM 0 H ASN A 19 -0.989 8.546 -3.955 1.00 0.00 H new ATOM 0 HA ASN A 19 0.980 10.712 -3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.095 11.945 -4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.943 10.927 -2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.421 13.510 -0.660 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.545 12.654 -1.720 1.00 0.00 H new ATOM 305 N LEU A 20 -0.612 8.754 -1.674 1.00 0.00 N ATOM 306 CA LEU A 20 -0.499 8.046 -0.410 1.00 0.00 C ATOM 307 C LEU A 20 0.034 6.636 -0.666 1.00 0.00 C ATOM 308 O LEU A 20 0.154 6.212 -1.814 1.00 0.00 O ATOM 309 CB LEU A 20 -1.833 8.074 0.339 1.00 0.00 C ATOM 310 CG LEU A 20 -2.627 9.378 0.248 1.00 0.00 C ATOM 311 CD1 LEU A 20 -3.657 9.316 -0.882 1.00 0.00 C ATOM 312 CD2 LEU A 20 -3.272 9.722 1.593 1.00 0.00 C ATOM 0 H LEU A 20 -1.452 8.537 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 20 0.218 8.543 0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.457 7.265 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.641 7.862 1.391 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.934 10.184 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.208 10.256 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.147 9.151 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.352 8.497 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.831 10.653 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.949 8.920 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.496 9.838 2.350 1.00 0.00 H new ATOM 324 N CYS A 21 0.341 5.948 0.425 1.00 0.00 N ATOM 325 CA CYS A 21 0.860 4.594 0.334 1.00 0.00 C ATOM 326 C CYS A 21 -0.268 3.623 0.690 1.00 0.00 C ATOM 327 O CYS A 21 -1.131 3.941 1.508 1.00 0.00 O ATOM 328 CB CYS A 21 2.086 4.395 1.226 1.00 0.00 C ATOM 329 SG CYS A 21 3.170 5.862 1.377 1.00 0.00 S ATOM 0 H CYS A 21 0.240 6.303 1.376 1.00 0.00 H new ATOM 0 HA CYS A 21 1.199 4.400 -0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.750 4.104 2.222 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.673 3.565 0.833 1.00 0.00 H new ATOM 334 N TYR A 22 -0.225 2.458 0.059 1.00 0.00 N ATOM 335 CA TYR A 22 -1.232 1.439 0.299 1.00 0.00 C ATOM 336 C TYR A 22 -0.584 0.074 0.541 1.00 0.00 C ATOM 337 O TYR A 22 0.449 -0.240 -0.050 1.00 0.00 O ATOM 338 CB TYR A 22 -2.077 1.372 -0.974 1.00 0.00 C ATOM 339 CG TYR A 22 -1.683 0.238 -1.923 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.221 -1.021 -1.756 1.00 0.00 C ATOM 341 CD2 TYR A 22 -0.789 0.477 -2.947 1.00 0.00 C ATOM 342 CE1 TYR A 22 -1.849 -2.087 -2.649 1.00 0.00 C ATOM 343 CE2 TYR A 22 -0.418 -0.590 -3.841 1.00 0.00 C ATOM 344 CZ TYR A 22 -0.967 -1.819 -3.648 1.00 0.00 C ATOM 345 OH TYR A 22 -0.616 -2.827 -4.492 1.00 0.00 O ATOM 0 H TYR A 22 0.492 2.198 -0.618 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.824 1.685 1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.124 1.253 -0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.994 2.321 -1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.921 -1.207 -0.955 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.368 1.463 -3.078 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.262 -3.078 -2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.281 -0.418 -4.646 1.00 0.00 H new ATOM 0 HH TYR A 22 0.020 -2.490 -5.157 1.00 0.00 H new ATOM 355 N LYS A 23 -1.218 -0.702 1.408 1.00 0.00 N ATOM 356 CA LYS A 23 -0.716 -2.026 1.734 1.00 0.00 C ATOM 357 C LYS A 23 -1.897 -2.978 1.937 1.00 0.00 C ATOM 358 O LYS A 23 -2.786 -2.706 2.741 1.00 0.00 O ATOM 359 CB LYS A 23 0.234 -1.959 2.932 1.00 0.00 C ATOM 360 CG LYS A 23 -0.320 -1.038 4.020 1.00 0.00 C ATOM 361 CD LYS A 23 0.597 -1.023 5.245 1.00 0.00 C ATOM 362 CE LYS A 23 1.050 0.401 5.573 1.00 0.00 C ATOM 363 NZ LYS A 23 1.135 0.592 7.039 1.00 0.00 N ATOM 0 H LYS A 23 -2.075 -0.439 1.895 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.124 -2.423 0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.383 -2.959 3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.210 -1.598 2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.424 -0.027 3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.316 -1.371 4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.073 -1.448 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.468 -1.652 5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.021 0.594 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.350 1.119 5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.444 1.563 7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.201 0.428 7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.820 -0.081 7.438 1.00 0.00 H new ATOM 377 N MET A 24 -1.866 -4.074 1.194 1.00 0.00 N ATOM 378 CA MET A 24 -2.922 -5.069 1.283 1.00 0.00 C ATOM 379 C MET A 24 -2.401 -6.369 1.899 1.00 0.00 C ATOM 380 O MET A 24 -1.292 -6.804 1.594 1.00 0.00 O ATOM 381 CB MET A 24 -3.476 -5.352 -0.115 1.00 0.00 C ATOM 382 CG MET A 24 -4.155 -4.111 -0.697 1.00 0.00 C ATOM 383 SD MET A 24 -4.788 -4.469 -2.327 1.00 0.00 S ATOM 384 CE MET A 24 -4.699 -2.843 -3.058 1.00 0.00 C ATOM 0 H MET A 24 -1.126 -4.295 0.527 1.00 0.00 H new ATOM 0 HA MET A 24 -3.712 -4.677 1.924 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.667 -5.671 -0.773 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.191 -6.173 -0.067 1.00 0.00 H new ATOM 0 HG2 MET A 24 -4.968 -3.791 -0.045 1.00 0.00 H new ATOM 0 HG3 MET A 24 -3.443 -3.287 -0.747 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.666 -2.585 -3.490 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.438 -2.113 -2.292 1.00 0.00 H new ATOM 0 HE3 MET A 24 -3.939 -2.836 -3.839 1.00 0.00 H new ATOM 394 N PHE A 25 -3.227 -6.952 2.755 1.00 0.00 N ATOM 395 CA PHE A 25 -2.863 -8.194 3.417 1.00 0.00 C ATOM 396 C PHE A 25 -4.005 -9.210 3.341 1.00 0.00 C ATOM 397 O PHE A 25 -5.175 -8.833 3.301 1.00 0.00 O ATOM 398 CB PHE A 25 -2.593 -7.856 4.884 1.00 0.00 C ATOM 399 CG PHE A 25 -1.762 -6.589 5.089 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.280 -5.375 4.758 1.00 0.00 C ATOM 401 CD2 PHE A 25 -0.505 -6.675 5.599 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.507 -4.198 4.947 1.00 0.00 C ATOM 403 CE2 PHE A 25 0.267 -5.498 5.789 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.250 -4.285 5.459 1.00 0.00 C ATOM 0 H PHE A 25 -4.146 -6.588 3.006 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.990 -8.632 2.933 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.546 -7.740 5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.077 -8.695 5.350 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.278 -5.306 4.352 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.093 -7.639 5.860 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.918 -3.234 4.684 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.265 -5.567 6.196 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.337 -3.390 5.603 1.00 0.00 H new ATOM 414 N MET A 26 -3.624 -10.479 3.324 1.00 0.00 N ATOM 415 CA MET A 26 -4.602 -11.552 3.255 1.00 0.00 C ATOM 416 C MET A 26 -5.281 -11.765 4.610 1.00 0.00 C ATOM 417 O MET A 26 -4.746 -11.370 5.644 1.00 0.00 O ATOM 418 CB MET A 26 -3.909 -12.846 2.821 1.00 0.00 C ATOM 419 CG MET A 26 -3.352 -12.721 1.402 1.00 0.00 C ATOM 420 SD MET A 26 -3.015 -14.341 0.734 1.00 0.00 S ATOM 421 CE MET A 26 -4.554 -14.653 -0.114 1.00 0.00 C ATOM 0 H MET A 26 -2.653 -10.788 3.357 1.00 0.00 H new ATOM 0 HA MET A 26 -5.366 -11.276 2.528 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.100 -13.079 3.514 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.616 -13.674 2.866 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.067 -12.198 0.767 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.439 -12.126 1.412 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.514 -15.632 -0.591 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.375 -14.632 0.603 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.714 -13.886 -0.872 1.00 0.00 H new ATOM 431 N MET A 27 -6.449 -12.388 4.559 1.00 0.00 N ATOM 432 CA MET A 27 -7.206 -12.659 5.769 1.00 0.00 C ATOM 433 C MET A 27 -6.443 -13.611 6.692 1.00 0.00 C ATOM 434 O MET A 27 -6.487 -13.465 7.913 1.00 0.00 O ATOM 435 CB MET A 27 -8.555 -13.277 5.399 1.00 0.00 C ATOM 436 CG MET A 27 -9.592 -12.193 5.100 1.00 0.00 C ATOM 437 SD MET A 27 -10.555 -11.849 6.564 1.00 0.00 S ATOM 438 CE MET A 27 -11.468 -13.377 6.702 1.00 0.00 C ATOM 0 H MET A 27 -6.890 -12.713 3.698 1.00 0.00 H new ATOM 0 HA MET A 27 -7.360 -11.718 6.297 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.437 -13.922 4.528 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.907 -13.906 6.216 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.094 -11.285 4.761 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.247 -12.518 4.292 1.00 0.00 H new ATOM 0 HE1 MET A 27 -12.462 -13.172 7.101 1.00 0.00 H new ATOM 0 HE2 MET A 27 -11.560 -13.836 5.718 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.941 -14.056 7.372 1.00 0.00 H new ATOM 448 N SER A 28 -5.760 -14.563 6.073 1.00 0.00 N ATOM 449 CA SER A 28 -4.989 -15.538 6.825 1.00 0.00 C ATOM 450 C SER A 28 -3.789 -14.858 7.488 1.00 0.00 C ATOM 451 O SER A 28 -3.922 -14.253 8.551 1.00 0.00 O ATOM 452 CB SER A 28 -4.520 -16.681 5.923 1.00 0.00 C ATOM 453 OG SER A 28 -3.599 -17.543 6.589 1.00 0.00 O ATOM 0 H SER A 28 -5.725 -14.680 5.060 1.00 0.00 H new ATOM 0 HA SER A 28 -5.631 -15.960 7.598 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.383 -17.259 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.050 -16.269 5.030 1.00 0.00 H new ATOM 0 HG SER A 28 -3.324 -18.261 5.981 1.00 0.00 H new ATOM 459 N ASP A 29 -2.643 -14.980 6.833 1.00 0.00 N ATOM 460 CA ASP A 29 -1.421 -14.386 7.346 1.00 0.00 C ATOM 461 C ASP A 29 -1.448 -12.876 7.092 1.00 0.00 C ATOM 462 O ASP A 29 -0.889 -12.400 6.105 1.00 0.00 O ATOM 463 CB ASP A 29 -0.191 -14.961 6.642 1.00 0.00 C ATOM 464 CG ASP A 29 1.106 -14.898 7.451 1.00 0.00 C ATOM 465 OD1 ASP A 29 1.332 -13.840 8.079 1.00 0.00 O ATOM 466 OD2 ASP A 29 1.841 -15.907 7.424 1.00 0.00 O ATOM 0 H ASP A 29 -2.536 -15.482 5.951 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.361 -14.605 8.412 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.391 -16.001 6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.043 -14.424 5.705 1.00 0.00 H new ATOM 471 N LEU A 30 -2.104 -12.168 7.999 1.00 0.00 N ATOM 472 CA LEU A 30 -2.211 -10.723 7.886 1.00 0.00 C ATOM 473 C LEU A 30 -0.877 -10.085 8.278 1.00 0.00 C ATOM 474 O LEU A 30 -0.655 -8.901 8.029 1.00 0.00 O ATOM 475 CB LEU A 30 -3.402 -10.208 8.698 1.00 0.00 C ATOM 476 CG LEU A 30 -4.701 -11.004 8.562 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.040 -11.729 9.865 1.00 0.00 C ATOM 478 CD2 LEU A 30 -5.846 -10.106 8.091 1.00 0.00 C ATOM 0 H LEU A 30 -2.567 -12.568 8.815 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.411 -10.436 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.118 -10.190 9.750 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.598 -9.177 8.404 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.555 -11.768 7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.968 -12.287 9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.234 -12.418 10.119 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.160 -11.000 10.666 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.758 -10.696 8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.001 -9.305 8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.596 -9.676 7.121 1.00 0.00 H new ATOM 490 N THR A 31 -0.024 -10.897 8.883 1.00 0.00 N ATOM 491 CA THR A 31 1.282 -10.427 9.312 1.00 0.00 C ATOM 492 C THR A 31 2.291 -10.538 8.167 1.00 0.00 C ATOM 493 O THR A 31 3.449 -10.152 8.317 1.00 0.00 O ATOM 494 CB THR A 31 1.685 -11.220 10.557 1.00 0.00 C ATOM 495 OG1 THR A 31 1.849 -12.553 10.081 1.00 0.00 O ATOM 496 CG2 THR A 31 0.551 -11.326 11.577 1.00 0.00 C ATOM 0 H THR A 31 -0.212 -11.879 9.087 1.00 0.00 H new ATOM 0 HA THR A 31 1.254 -9.370 9.578 1.00 0.00 H new ATOM 0 HB THR A 31 2.549 -10.747 11.024 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.517 -12.615 9.161 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.891 -11.898 12.440 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.255 -10.327 11.897 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.302 -11.828 11.121 1.00 0.00 H new ATOM 504 N ILE A 32 1.814 -11.066 7.050 1.00 0.00 N ATOM 505 CA ILE A 32 2.660 -11.232 5.879 1.00 0.00 C ATOM 506 C ILE A 32 1.955 -10.639 4.658 1.00 0.00 C ATOM 507 O ILE A 32 1.074 -11.271 4.077 1.00 0.00 O ATOM 508 CB ILE A 32 3.055 -12.700 5.709 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.282 -13.040 6.558 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.266 -13.043 4.233 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.147 -14.429 7.185 1.00 0.00 C ATOM 0 H ILE A 32 0.853 -11.385 6.930 1.00 0.00 H new ATOM 0 HA ILE A 32 3.595 -10.686 6.003 1.00 0.00 H new ATOM 0 HB ILE A 32 2.233 -13.319 6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.179 -13.002 5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.404 -12.293 7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.546 -14.092 4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.343 -12.863 3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.060 -12.418 3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.032 -14.646 7.783 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.263 -14.456 7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.050 -15.176 6.397 1.00 0.00 H new ATOM 523 N PRO A 33 2.371 -9.432 4.304 1.00 0.00 N ATOM 524 CA PRO A 33 1.773 -8.724 3.127 1.00 0.00 C ATOM 525 C PRO A 33 1.649 -9.459 1.747 1.00 0.00 C ATOM 526 O PRO A 33 2.449 -10.339 1.435 1.00 0.00 O ATOM 527 CB PRO A 33 2.631 -7.442 3.040 1.00 0.00 C ATOM 528 CG PRO A 33 3.201 -7.225 4.443 1.00 0.00 C ATOM 529 CD PRO A 33 3.434 -8.637 4.978 1.00 0.00 C ATOM 0 HA PRO A 33 0.707 -8.588 3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.430 -7.555 2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.029 -6.589 2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.129 -6.653 4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.506 -6.670 5.073 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.430 -9.003 4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.341 -8.678 6.063 1.00 0.00 H new ATOM 537 N VAL A 34 0.643 -9.056 0.986 1.00 0.00 N ATOM 538 CA VAL A 34 0.407 -9.649 -0.319 1.00 0.00 C ATOM 539 C VAL A 34 0.707 -8.615 -1.406 1.00 0.00 C ATOM 540 O VAL A 34 1.279 -8.948 -2.443 1.00 0.00 O ATOM 541 CB VAL A 34 -1.020 -10.198 -0.394 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.014 -11.720 -0.551 1.00 0.00 C ATOM 543 CG2 VAL A 34 -1.835 -9.775 0.829 1.00 0.00 C ATOM 0 H VAL A 34 -0.019 -8.325 1.248 1.00 0.00 H new ATOM 0 HA VAL A 34 1.076 -10.494 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.497 -9.773 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.040 -12.085 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.487 -11.989 -1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.510 -12.172 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.845 -10.178 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.361 -10.158 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.881 -8.687 0.877 1.00 0.00 H new ATOM 553 N LYS A 35 0.309 -7.381 -1.131 1.00 0.00 N ATOM 554 CA LYS A 35 0.528 -6.297 -2.073 1.00 0.00 C ATOM 555 C LYS A 35 1.012 -5.060 -1.315 1.00 0.00 C ATOM 556 O LYS A 35 0.513 -4.755 -0.233 1.00 0.00 O ATOM 557 CB LYS A 35 -0.727 -6.052 -2.912 1.00 0.00 C ATOM 558 CG LYS A 35 -1.342 -7.374 -3.377 1.00 0.00 C ATOM 559 CD LYS A 35 -0.583 -7.939 -4.580 1.00 0.00 C ATOM 560 CE LYS A 35 -1.136 -9.307 -4.984 1.00 0.00 C ATOM 561 NZ LYS A 35 -0.505 -9.771 -6.239 1.00 0.00 N ATOM 0 H LYS A 35 -0.164 -7.108 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 35 1.310 -6.563 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.457 -5.493 -2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.476 -5.439 -3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.324 -8.095 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.388 -7.219 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.661 -7.249 -5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.476 -8.028 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.952 -10.029 -4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.216 -9.245 -5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.892 -10.701 -6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.702 -9.089 -6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.523 -9.850 -6.102 1.00 0.00 H new ATOM 575 N ARG A 36 1.978 -4.379 -1.914 1.00 0.00 N ATOM 576 CA ARG A 36 2.536 -3.180 -1.308 1.00 0.00 C ATOM 577 C ARG A 36 2.933 -2.174 -2.390 1.00 0.00 C ATOM 578 O ARG A 36 3.697 -2.502 -3.297 1.00 0.00 O ATOM 579 CB ARG A 36 3.762 -3.513 -0.455 1.00 0.00 C ATOM 580 CG ARG A 36 3.507 -4.744 0.416 1.00 0.00 C ATOM 581 CD ARG A 36 4.474 -4.789 1.599 1.00 0.00 C ATOM 582 NE ARG A 36 3.914 -4.032 2.741 1.00 0.00 N ATOM 583 CZ ARG A 36 4.423 -4.055 3.980 1.00 0.00 C ATOM 584 NH1 ARG A 36 5.505 -4.799 4.246 1.00 0.00 N ATOM 585 NH2 ARG A 36 3.847 -3.336 4.954 1.00 0.00 N ATOM 0 H ARG A 36 2.389 -4.634 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 36 1.769 -2.745 -0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.621 -3.692 -1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.011 -2.661 0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.480 -4.729 0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.618 -5.647 -0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.655 -5.823 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.436 -4.367 1.309 1.00 0.00 H new ATOM 0 HE ARG A 36 3.089 -3.457 2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.941 -5.348 3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.893 -4.816 5.189 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.022 -2.772 4.751 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.234 -3.353 5.898 1.00 0.00 H new ATOM 599 N GLY A 37 2.395 -0.970 -2.260 1.00 0.00 N ATOM 600 CA GLY A 37 2.684 0.086 -3.215 1.00 0.00 C ATOM 601 C GLY A 37 2.016 1.398 -2.800 1.00 0.00 C ATOM 602 O GLY A 37 1.677 1.585 -1.632 1.00 0.00 O ATOM 0 H GLY A 37 1.760 -0.703 -1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.762 0.230 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.334 -0.208 -4.204 1.00 0.00 H new ATOM 606 N CYS A 38 1.847 2.274 -3.779 1.00 0.00 N ATOM 607 CA CYS A 38 1.226 3.564 -3.532 1.00 0.00 C ATOM 608 C CYS A 38 -0.142 3.579 -4.216 1.00 0.00 C ATOM 609 O CYS A 38 -0.424 2.735 -5.066 1.00 0.00 O ATOM 610 CB CYS A 38 2.112 4.719 -4.001 1.00 0.00 C ATOM 611 SG CYS A 38 3.746 4.815 -3.184 1.00 0.00 S ATOM 0 H CYS A 38 2.130 2.116 -4.746 1.00 0.00 H new ATOM 0 HA CYS A 38 1.096 3.707 -2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.264 4.628 -5.076 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.582 5.656 -3.833 1.00 0.00 H new ATOM 616 N ILE A 39 -0.957 4.546 -3.821 1.00 0.00 N ATOM 617 CA ILE A 39 -2.288 4.681 -4.387 1.00 0.00 C ATOM 618 C ILE A 39 -2.745 6.136 -4.264 1.00 0.00 C ATOM 619 O ILE A 39 -2.136 6.922 -3.539 1.00 0.00 O ATOM 620 CB ILE A 39 -3.249 3.679 -3.742 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.401 3.338 -4.689 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.749 4.191 -2.390 1.00 0.00 C ATOM 623 CD1 ILE A 39 -4.538 1.824 -4.863 1.00 0.00 C ATOM 0 H ILE A 39 -0.721 5.244 -3.115 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.276 4.438 -5.450 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.703 2.754 -3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.332 3.748 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.230 3.805 -5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.430 3.460 -1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.901 4.341 -1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.273 5.137 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.364 1.609 -5.541 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.614 1.420 -5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.734 1.363 -3.895 1.00 0.00 H new ATOM 635 N ASP A 40 -3.813 6.451 -4.982 1.00 0.00 N ATOM 636 CA ASP A 40 -4.358 7.797 -4.962 1.00 0.00 C ATOM 637 C ASP A 40 -5.556 7.844 -4.013 1.00 0.00 C ATOM 638 O ASP A 40 -5.717 8.799 -3.256 1.00 0.00 O ATOM 639 CB ASP A 40 -4.838 8.218 -6.353 1.00 0.00 C ATOM 640 CG ASP A 40 -5.005 9.726 -6.550 1.00 0.00 C ATOM 641 OD1 ASP A 40 -4.112 10.463 -6.080 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.024 10.108 -7.167 1.00 0.00 O ATOM 0 H ASP A 40 -4.316 5.796 -5.582 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.570 8.475 -4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.130 7.846 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.793 7.733 -6.554 1.00 0.00 H new ATOM 647 N VAL A 41 -6.369 6.800 -4.086 1.00 0.00 N ATOM 648 CA VAL A 41 -7.549 6.709 -3.243 1.00 0.00 C ATOM 649 C VAL A 41 -7.475 5.430 -2.406 1.00 0.00 C ATOM 650 O VAL A 41 -7.012 4.397 -2.884 1.00 0.00 O ATOM 651 CB VAL A 41 -8.813 6.790 -4.102 1.00 0.00 C ATOM 652 CG1 VAL A 41 -9.925 5.912 -3.524 1.00 0.00 C ATOM 653 CG2 VAL A 41 -9.281 8.239 -4.254 1.00 0.00 C ATOM 0 H VAL A 41 -6.234 6.010 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.589 7.549 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.569 6.412 -5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.812 5.987 -4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.590 4.875 -3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.166 6.247 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.181 8.268 -4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.500 8.656 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.497 8.827 -4.731 1.00 0.00 H new ATOM 663 N CYS A 42 -7.941 5.542 -1.171 1.00 0.00 N ATOM 664 CA CYS A 42 -7.934 4.409 -0.262 1.00 0.00 C ATOM 665 C CYS A 42 -9.066 3.463 -0.666 1.00 0.00 C ATOM 666 O CYS A 42 -10.241 3.792 -0.506 1.00 0.00 O ATOM 667 CB CYS A 42 -8.052 4.851 1.197 1.00 0.00 C ATOM 668 SG CYS A 42 -7.271 3.723 2.408 1.00 0.00 S ATOM 0 H CYS A 42 -8.326 6.401 -0.778 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.980 3.886 -0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.603 5.839 1.300 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.108 4.954 1.446 1.00 0.00 H new ATOM 673 N PRO A 43 -8.675 2.307 -1.181 1.00 0.00 N ATOM 674 CA PRO A 43 -9.674 1.280 -1.622 1.00 0.00 C ATOM 675 C PRO A 43 -10.606 0.588 -0.569 1.00 0.00 C ATOM 676 O PRO A 43 -10.322 0.609 0.627 1.00 0.00 O ATOM 677 CB PRO A 43 -8.792 0.270 -2.390 1.00 0.00 C ATOM 678 CG PRO A 43 -7.453 0.973 -2.620 1.00 0.00 C ATOM 679 CD PRO A 43 -7.282 1.872 -1.396 1.00 0.00 C ATOM 0 HA PRO A 43 -10.457 1.779 -2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.658 -0.647 -1.816 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.253 -0.011 -3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.637 0.256 -2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.462 1.554 -3.542 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.880 1.332 -0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.612 2.710 -1.588 1.00 0.00 H new ATOM 687 N LYS A 44 -11.682 0.002 -1.074 1.00 0.00 N ATOM 688 CA LYS A 44 -12.636 -0.680 -0.216 1.00 0.00 C ATOM 689 C LYS A 44 -12.042 -2.016 0.238 1.00 0.00 C ATOM 690 O LYS A 44 -11.467 -2.748 -0.566 1.00 0.00 O ATOM 691 CB LYS A 44 -13.988 -0.814 -0.918 1.00 0.00 C ATOM 692 CG LYS A 44 -14.488 0.545 -1.410 1.00 0.00 C ATOM 693 CD LYS A 44 -15.557 1.109 -0.472 1.00 0.00 C ATOM 694 CE LYS A 44 -16.016 2.494 -0.933 1.00 0.00 C ATOM 695 NZ LYS A 44 -17.323 2.835 -0.327 1.00 0.00 N ATOM 0 H LYS A 44 -11.914 -0.014 -2.067 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.828 -0.094 0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.898 -1.499 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.716 -1.247 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.652 1.242 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.898 0.444 -2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.410 0.432 -0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.160 1.172 0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.273 3.241 -0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.096 2.514 -2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.620 3.778 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.033 2.131 -0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.235 2.836 0.709 1.00 0.00 H new ATOM 709 N ASN A 45 -12.204 -2.292 1.523 1.00 0.00 N ATOM 710 CA ASN A 45 -11.692 -3.526 2.093 1.00 0.00 C ATOM 711 C ASN A 45 -12.725 -4.638 1.902 1.00 0.00 C ATOM 712 O ASN A 45 -13.926 -4.375 1.866 1.00 0.00 O ATOM 713 CB ASN A 45 -11.431 -3.374 3.593 1.00 0.00 C ATOM 714 CG ASN A 45 -10.771 -2.029 3.902 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.569 -1.858 3.786 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.622 -1.088 4.300 1.00 0.00 N ATOM 0 H ASN A 45 -12.683 -1.682 2.186 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.757 -3.768 1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.371 -3.456 4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.790 -4.185 3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.280 -0.155 4.530 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.617 -1.299 4.375 1.00 0.00 H new ATOM 723 N SER A 46 -12.221 -5.858 1.786 1.00 0.00 N ATOM 724 CA SER A 46 -13.085 -7.011 1.600 1.00 0.00 C ATOM 725 C SER A 46 -12.881 -8.008 2.742 1.00 0.00 C ATOM 726 O SER A 46 -12.006 -7.819 3.587 1.00 0.00 O ATOM 727 CB SER A 46 -12.822 -7.685 0.253 1.00 0.00 C ATOM 728 OG SER A 46 -11.452 -8.046 0.095 1.00 0.00 O ATOM 0 H SER A 46 -11.224 -6.073 1.817 1.00 0.00 H new ATOM 0 HA SER A 46 -14.119 -6.667 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.444 -8.576 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.115 -7.012 -0.553 1.00 0.00 H new ATOM 0 HG SER A 46 -11.325 -8.475 -0.777 1.00 0.00 H new ATOM 734 N LEU A 47 -13.701 -9.048 2.731 1.00 0.00 N ATOM 735 CA LEU A 47 -13.620 -10.076 3.756 1.00 0.00 C ATOM 736 C LEU A 47 -12.566 -11.109 3.354 1.00 0.00 C ATOM 737 O LEU A 47 -12.464 -12.169 3.970 1.00 0.00 O ATOM 738 CB LEU A 47 -15.001 -10.677 4.021 1.00 0.00 C ATOM 739 CG LEU A 47 -16.030 -9.742 4.660 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.442 -10.319 4.547 1.00 0.00 C ATOM 741 CD2 LEU A 47 -15.655 -9.422 6.108 1.00 0.00 C ATOM 0 H LEU A 47 -14.425 -9.202 2.029 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.298 -9.645 4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.406 -11.038 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.879 -11.546 4.667 1.00 0.00 H new ATOM 0 HG LEU A 47 -16.023 -8.801 4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.153 -9.634 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.698 -10.452 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.483 -11.282 5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.403 -8.756 6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.615 -10.345 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.679 -8.937 6.132 1.00 0.00 H new ATOM 753 N LEU A 48 -11.809 -10.764 2.323 1.00 0.00 N ATOM 754 CA LEU A 48 -10.766 -11.649 1.831 1.00 0.00 C ATOM 755 C LEU A 48 -9.398 -11.020 2.106 1.00 0.00 C ATOM 756 O LEU A 48 -8.515 -11.666 2.668 1.00 0.00 O ATOM 757 CB LEU A 48 -11.002 -11.989 0.359 1.00 0.00 C ATOM 758 CG LEU A 48 -12.378 -12.563 0.015 1.00 0.00 C ATOM 759 CD1 LEU A 48 -13.189 -11.575 -0.826 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.248 -13.926 -0.668 1.00 0.00 C ATOM 0 H LEU A 48 -11.897 -9.884 1.815 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.792 -12.601 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.850 -11.085 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.243 -12.706 0.046 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.925 -12.720 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.163 -12.007 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.326 -10.649 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.657 -11.364 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.240 -14.312 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.674 -13.818 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.737 -14.620 -0.001 1.00 0.00 H new ATOM 772 N VAL A 49 -9.266 -9.767 1.697 1.00 0.00 N ATOM 773 CA VAL A 49 -8.021 -9.043 1.891 1.00 0.00 C ATOM 774 C VAL A 49 -8.321 -7.681 2.521 1.00 0.00 C ATOM 775 O VAL A 49 -9.356 -7.080 2.242 1.00 0.00 O ATOM 776 CB VAL A 49 -7.265 -8.937 0.566 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.721 -7.522 0.357 1.00 0.00 C ATOM 778 CG2 VAL A 49 -6.141 -9.972 0.490 1.00 0.00 C ATOM 0 H VAL A 49 -10.001 -9.234 1.232 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.369 -9.582 2.578 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.970 -9.148 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.188 -7.474 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.548 -6.812 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.039 -7.271 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.620 -9.874 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.438 -9.807 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.563 -10.974 0.572 1.00 0.00 H new ATOM 788 N LYS A 50 -7.394 -7.236 3.357 1.00 0.00 N ATOM 789 CA LYS A 50 -7.546 -5.956 4.028 1.00 0.00 C ATOM 790 C LYS A 50 -6.597 -4.936 3.394 1.00 0.00 C ATOM 791 O LYS A 50 -5.510 -5.292 2.943 1.00 0.00 O ATOM 792 CB LYS A 50 -7.357 -6.116 5.538 1.00 0.00 C ATOM 793 CG LYS A 50 -7.823 -4.864 6.285 1.00 0.00 C ATOM 794 CD LYS A 50 -8.106 -5.178 7.756 1.00 0.00 C ATOM 795 CE LYS A 50 -9.125 -4.197 8.339 1.00 0.00 C ATOM 796 NZ LYS A 50 -8.644 -3.656 9.630 1.00 0.00 N ATOM 0 H LYS A 50 -6.536 -7.738 3.585 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.559 -5.575 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.918 -6.983 5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.306 -6.305 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.060 -4.089 6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.723 -4.469 5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.482 -6.197 7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.179 -5.128 8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.296 -3.381 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.082 -4.700 8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.347 -2.992 10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.504 -4.437 10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.742 -3.159 9.484 1.00 0.00 H new ATOM 810 N TYR A 51 -7.043 -3.688 3.381 1.00 0.00 N ATOM 811 CA TYR A 51 -6.247 -2.616 2.809 1.00 0.00 C ATOM 812 C TYR A 51 -5.938 -1.545 3.858 1.00 0.00 C ATOM 813 O TYR A 51 -6.807 -1.172 4.645 1.00 0.00 O ATOM 814 CB TYR A 51 -7.105 -1.997 1.704 1.00 0.00 C ATOM 815 CG TYR A 51 -7.605 -3.005 0.667 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.504 -3.985 1.036 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.158 -2.933 -0.636 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.974 -4.934 0.060 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.629 -3.882 -1.613 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.514 -4.835 -1.215 1.00 0.00 C ATOM 821 OH TYR A 51 -8.959 -5.731 -2.137 1.00 0.00 O ATOM 0 H TYR A 51 -7.945 -3.396 3.757 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.298 -2.999 2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.963 -1.503 2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.525 -1.226 1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.855 -4.040 2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.455 -2.165 -0.924 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.676 -5.707 0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.287 -3.837 -2.637 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.547 -5.539 -3.005 1.00 0.00 H new ATOM 831 N VAL A 52 -4.697 -1.081 3.835 1.00 0.00 N ATOM 832 CA VAL A 52 -4.262 -0.061 4.774 1.00 0.00 C ATOM 833 C VAL A 52 -3.479 1.017 4.022 1.00 0.00 C ATOM 834 O VAL A 52 -2.461 0.728 3.395 1.00 0.00 O ATOM 835 CB VAL A 52 -3.459 -0.701 5.908 1.00 0.00 C ATOM 836 CG1 VAL A 52 -2.444 0.287 6.486 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.386 -1.238 7.000 1.00 0.00 C ATOM 0 H VAL A 52 -3.979 -1.393 3.181 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.122 0.424 5.236 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.906 -1.544 5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.886 -0.193 7.290 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.754 0.600 5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.968 1.159 6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.790 -1.688 7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.978 -0.420 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.051 -1.990 6.575 1.00 0.00 H new ATOM 847 N CYS A 53 -3.985 2.240 4.108 1.00 0.00 N ATOM 848 CA CYS A 53 -3.346 3.362 3.444 1.00 0.00 C ATOM 849 C CYS A 53 -2.652 4.217 4.506 1.00 0.00 C ATOM 850 O CYS A 53 -3.061 4.228 5.665 1.00 0.00 O ATOM 851 CB CYS A 53 -4.346 4.176 2.620 1.00 0.00 C ATOM 852 SG CYS A 53 -5.490 3.180 1.598 1.00 0.00 S ATOM 0 H CYS A 53 -4.830 2.477 4.628 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.605 2.994 2.734 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.933 4.797 3.297 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.793 4.851 1.967 1.00 0.00 H new ATOM 857 N CYS A 54 -1.610 4.913 4.071 1.00 0.00 N ATOM 858 CA CYS A 54 -0.854 5.768 4.971 1.00 0.00 C ATOM 859 C CYS A 54 -0.269 6.924 4.155 1.00 0.00 C ATOM 860 O CYS A 54 0.050 6.759 2.979 1.00 0.00 O ATOM 861 CB CYS A 54 0.230 4.988 5.716 1.00 0.00 C ATOM 862 SG CYS A 54 1.153 3.786 4.689 1.00 0.00 S ATOM 0 H CYS A 54 -1.272 4.902 3.109 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.515 6.166 5.741 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.938 5.697 6.145 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.232 4.455 6.547 1.00 0.00 H new ATOM 867 N ASN A 55 -0.147 8.067 4.814 1.00 0.00 N ATOM 868 CA ASN A 55 0.395 9.249 4.165 1.00 0.00 C ATOM 869 C ASN A 55 1.794 9.532 4.715 1.00 0.00 C ATOM 870 O ASN A 55 2.349 10.606 4.488 1.00 0.00 O ATOM 871 CB ASN A 55 -0.477 10.476 4.439 1.00 0.00 C ATOM 872 CG ASN A 55 -1.239 10.324 5.758 1.00 0.00 C ATOM 873 OD1 ASN A 55 -2.422 10.607 5.858 1.00 0.00 O ATOM 874 ND2 ASN A 55 -0.498 9.861 6.760 1.00 0.00 N ATOM 0 H ASN A 55 -0.414 8.200 5.789 1.00 0.00 H new ATOM 0 HA ASN A 55 0.426 9.060 3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.147 11.369 4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.183 10.615 3.621 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.914 9.723 7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.487 9.644 6.608 1.00 0.00 H new ATOM 881 N THR A 56 2.325 8.550 5.429 1.00 0.00 N ATOM 882 CA THR A 56 3.648 8.680 6.014 1.00 0.00 C ATOM 883 C THR A 56 4.704 8.083 5.081 1.00 0.00 C ATOM 884 O THR A 56 4.384 7.270 4.215 1.00 0.00 O ATOM 885 CB THR A 56 3.621 8.025 7.397 1.00 0.00 C ATOM 886 OG1 THR A 56 2.753 6.906 7.234 1.00 0.00 O ATOM 887 CG2 THR A 56 2.917 8.893 8.441 1.00 0.00 C ATOM 0 H THR A 56 1.862 7.660 5.615 1.00 0.00 H new ATOM 0 HA THR A 56 3.923 9.727 6.140 1.00 0.00 H new ATOM 0 HB THR A 56 4.641 7.821 7.722 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.952 6.235 7.920 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.925 8.383 9.404 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.437 9.847 8.531 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.886 9.069 8.133 1.00 0.00 H new ATOM 895 N ASP A 57 5.941 8.510 5.289 1.00 0.00 N ATOM 896 CA ASP A 57 7.046 8.029 4.478 1.00 0.00 C ATOM 897 C ASP A 57 7.448 6.630 4.949 1.00 0.00 C ATOM 898 O ASP A 57 7.328 6.311 6.131 1.00 0.00 O ATOM 899 CB ASP A 57 8.266 8.942 4.611 1.00 0.00 C ATOM 900 CG ASP A 57 7.946 10.423 4.824 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.729 11.109 3.803 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.926 10.835 6.005 1.00 0.00 O ATOM 0 H ASP A 57 6.202 9.184 6.008 1.00 0.00 H new ATOM 0 HA ASP A 57 6.719 8.014 3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.873 8.593 5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.875 8.843 3.712 1.00 0.00 H new ATOM 907 N ARG A 58 7.915 5.832 4.000 1.00 0.00 N ATOM 908 CA ARG A 58 8.336 4.475 4.304 1.00 0.00 C ATOM 909 C ARG A 58 7.427 3.864 5.372 1.00 0.00 C ATOM 910 O ARG A 58 7.906 3.244 6.320 1.00 0.00 O ATOM 911 CB ARG A 58 9.783 4.443 4.796 1.00 0.00 C ATOM 912 CG ARG A 58 10.755 4.783 3.665 1.00 0.00 C ATOM 913 CD ARG A 58 11.632 5.981 4.035 1.00 0.00 C ATOM 914 NE ARG A 58 12.458 5.657 5.219 1.00 0.00 N ATOM 915 CZ ARG A 58 13.484 6.406 5.646 1.00 0.00 C ATOM 916 NH1 ARG A 58 13.816 7.526 4.989 1.00 0.00 N ATOM 917 NH2 ARG A 58 14.179 6.035 6.730 1.00 0.00 N ATOM 0 H ARG A 58 8.011 6.099 3.020 1.00 0.00 H new ATOM 0 HA ARG A 58 8.265 3.893 3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.908 5.153 5.614 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.014 3.455 5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.385 3.920 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.197 5.004 2.755 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.274 6.245 3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.007 6.849 4.244 1.00 0.00 H new ATOM 0 HE ARG A 58 12.233 4.811 5.743 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.288 7.809 4.164 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.597 8.096 5.314 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.927 5.182 7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.960 6.605 7.055 1.00 0.00 H new ATOM 931 N CYS A 59 6.130 4.062 5.185 1.00 0.00 N ATOM 932 CA CYS A 59 5.150 3.538 6.121 1.00 0.00 C ATOM 933 C CYS A 59 4.907 2.065 5.788 1.00 0.00 C ATOM 934 O CYS A 59 4.983 1.206 6.665 1.00 0.00 O ATOM 935 CB CYS A 59 3.853 4.351 6.095 1.00 0.00 C ATOM 936 SG CYS A 59 3.020 4.417 4.467 1.00 0.00 S ATOM 0 H CYS A 59 5.735 4.578 4.399 1.00 0.00 H new ATOM 0 HA CYS A 59 5.534 3.621 7.138 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.162 3.929 6.824 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.073 5.369 6.416 1.00 0.00 H new ATOM 941 N ASN A 60 4.619 1.817 4.519 1.00 0.00 N ATOM 942 CA ASN A 60 4.365 0.463 4.059 1.00 0.00 C ATOM 943 C ASN A 60 5.658 -0.133 3.499 1.00 0.00 C ATOM 944 O ASN A 60 6.440 0.567 2.858 1.00 0.00 O ATOM 945 CB ASN A 60 3.315 0.447 2.945 1.00 0.00 C ATOM 946 CG ASN A 60 3.937 0.828 1.601 1.00 0.00 C ATOM 947 OD1 ASN A 60 3.985 1.984 1.215 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.410 -0.207 0.911 1.00 0.00 N ATOM 0 H ASN A 60 4.556 2.532 3.794 1.00 0.00 H new ATOM 0 HA ASN A 60 4.001 -0.118 4.906 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.869 -0.545 2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.511 1.142 3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.845 -0.057 0.001 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.338 -1.150 1.293 1.00 0.00 H new