USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 435 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 22 TYR OH : rot 165:sc= -0.0927 USER MOD Set 1.2: A 24 MET CE :methyl -165:sc= -0.466 (180deg=-1.38) USER MOD Set 2.1: A 5 LYS NZ :NH3+ -111:sc= -0.0845 (180deg=-1.46) USER MOD Set 2.2: A 12 LYS NZ :NH3+ 174:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0393 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= 0.343 K(o=0.34,f=-2.5!) 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 SER OG : rot 180:sc= 0.259 USER MOD Single : A 46 SER OG : rot -29:sc= 0.992 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= -1.31 K(o=-1.3,f=-7.2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -3.07! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.27! C(o=-2.3!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -12.085 4.499 -1.208 1.00 0.00 N ATOM 19 CA LYS A 2 -12.396 3.255 -0.525 1.00 0.00 C ATOM 20 C LYS A 2 -11.401 2.177 -0.961 1.00 0.00 C ATOM 21 O LYS A 2 -11.308 1.856 -2.145 1.00 0.00 O ATOM 22 CB LYS A 2 -13.859 2.869 -0.751 1.00 0.00 C ATOM 23 CG LYS A 2 -14.132 2.601 -2.232 1.00 0.00 C ATOM 24 CD LYS A 2 -15.606 2.262 -2.465 1.00 0.00 C ATOM 25 CE LYS A 2 -15.897 2.078 -3.956 1.00 0.00 C ATOM 26 NZ LYS A 2 -16.152 0.652 -4.262 1.00 0.00 N ATOM 0 HA LYS A 2 -12.286 3.375 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.099 1.981 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.509 3.669 -0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.859 3.477 -2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.507 1.778 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.863 1.350 -1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.234 3.058 -2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.762 2.677 -4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.053 2.437 -4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.348 0.545 -5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.316 0.088 -4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.972 0.321 -3.715 1.00 0.00 H new ATOM 39 N CYS A 3 -10.683 1.648 0.018 1.00 0.00 N ATOM 40 CA CYS A 3 -9.699 0.613 -0.250 1.00 0.00 C ATOM 41 C CYS A 3 -9.979 -0.569 0.681 1.00 0.00 C ATOM 42 O CYS A 3 -10.934 -0.541 1.455 1.00 0.00 O ATOM 43 CB CYS A 3 -8.270 1.137 -0.093 1.00 0.00 C ATOM 44 SG CYS A 3 -7.564 1.902 -1.598 1.00 0.00 S ATOM 0 H CYS A 3 -10.763 1.917 0.999 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.784 0.286 -1.286 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.254 1.871 0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.627 0.312 0.214 1.00 0.00 H new ATOM 49 N LYS A 4 -9.129 -1.579 0.574 1.00 0.00 N ATOM 50 CA LYS A 4 -9.273 -2.769 1.396 1.00 0.00 C ATOM 51 C LYS A 4 -8.410 -2.623 2.651 1.00 0.00 C ATOM 52 O LYS A 4 -7.322 -2.051 2.598 1.00 0.00 O ATOM 53 CB LYS A 4 -8.964 -4.025 0.580 1.00 0.00 C ATOM 54 CG LYS A 4 -10.102 -4.341 -0.393 1.00 0.00 C ATOM 55 CD LYS A 4 -10.719 -5.707 -0.090 1.00 0.00 C ATOM 56 CE LYS A 4 -12.068 -5.868 -0.794 1.00 0.00 C ATOM 57 NZ LYS A 4 -12.968 -6.734 0.001 1.00 0.00 N ATOM 0 H LYS A 4 -8.338 -1.598 -0.069 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.305 -2.880 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.036 -3.884 0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.809 -4.870 1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.868 -3.569 -0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.725 -4.327 -1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.040 -6.496 -0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.851 -5.820 0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.528 -4.891 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.919 -6.300 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.879 -6.833 -0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.534 -7.672 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.124 -6.307 0.936 1.00 0.00 H new ATOM 70 N LYS A 5 -8.927 -3.151 3.751 1.00 0.00 N ATOM 71 CA LYS A 5 -8.217 -3.087 5.017 1.00 0.00 C ATOM 72 C LYS A 5 -7.157 -4.190 5.059 1.00 0.00 C ATOM 73 O LYS A 5 -6.943 -4.888 4.069 1.00 0.00 O ATOM 74 CB LYS A 5 -9.202 -3.137 6.187 1.00 0.00 C ATOM 75 CG LYS A 5 -10.078 -1.882 6.219 1.00 0.00 C ATOM 76 CD LYS A 5 -10.279 -1.392 7.654 1.00 0.00 C ATOM 77 CE LYS A 5 -11.382 -2.187 8.356 1.00 0.00 C ATOM 78 NZ LYS A 5 -12.091 -1.336 9.338 1.00 0.00 N ATOM 0 H LYS A 5 -9.829 -3.625 3.792 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.693 -2.136 5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.832 -4.022 6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.654 -3.227 7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.615 -1.095 5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.045 -2.097 5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.346 -1.489 8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.537 -0.333 7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.089 -2.568 7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.950 -3.052 8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.870 -1.660 10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.785 -0.348 9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.116 -1.401 9.178 1.00 0.00 H new ATOM 91 N LEU A 6 -6.522 -4.313 6.215 1.00 0.00 N ATOM 92 CA LEU A 6 -5.490 -5.318 6.399 1.00 0.00 C ATOM 93 C LEU A 6 -5.939 -6.629 5.750 1.00 0.00 C ATOM 94 O LEU A 6 -5.385 -7.044 4.734 1.00 0.00 O ATOM 95 CB LEU A 6 -5.134 -5.457 7.881 1.00 0.00 C ATOM 96 CG LEU A 6 -4.008 -4.553 8.387 1.00 0.00 C ATOM 97 CD1 LEU A 6 -4.568 -3.385 9.203 1.00 0.00 C ATOM 98 CD2 LEU A 6 -2.972 -5.357 9.174 1.00 0.00 C ATOM 0 H LEU A 6 -6.703 -3.733 7.034 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.570 -5.013 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.029 -5.254 8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.855 -6.493 8.072 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.497 -4.127 7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.747 -2.758 9.551 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.238 -2.793 8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.118 -3.771 10.061 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.183 -4.691 9.522 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.452 -5.830 10.031 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.542 -6.124 8.531 1.00 0.00 H new ATOM 108 N VAL A 7 -6.940 -7.243 6.364 1.00 0.00 N ATOM 109 CA VAL A 7 -7.470 -8.498 5.858 1.00 0.00 C ATOM 110 C VAL A 7 -8.480 -8.209 4.746 1.00 0.00 C ATOM 111 O VAL A 7 -9.329 -7.330 4.886 1.00 0.00 O ATOM 112 CB VAL A 7 -8.064 -9.316 7.007 1.00 0.00 C ATOM 113 CG1 VAL A 7 -8.639 -10.640 6.498 1.00 0.00 C ATOM 114 CG2 VAL A 7 -7.025 -9.555 8.104 1.00 0.00 C ATOM 0 H VAL A 7 -7.398 -6.895 7.207 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.673 -9.102 5.424 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.882 -8.740 7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.055 -11.202 7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.425 -10.439 5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.848 -11.223 6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.473 -10.138 8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.177 -10.100 7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.684 -8.597 8.497 1.00 0.00 H new ATOM 122 N PRO A 8 -8.351 -8.985 3.636 1.00 0.00 N ATOM 123 CA PRO A 8 -9.242 -8.821 2.501 1.00 0.00 C ATOM 124 C PRO A 8 -10.622 -9.412 2.796 1.00 0.00 C ATOM 125 O PRO A 8 -11.122 -10.241 2.037 1.00 0.00 O ATOM 126 CB PRO A 8 -8.537 -9.510 1.344 1.00 0.00 C ATOM 127 CG PRO A 8 -7.505 -10.431 1.974 1.00 0.00 C ATOM 128 CD PRO A 8 -7.358 -10.036 3.435 1.00 0.00 C ATOM 0 HA PRO A 8 -9.435 -7.774 2.267 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.244 -10.074 0.736 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.061 -8.782 0.687 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.820 -11.471 1.890 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.549 -10.344 1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.540 -10.884 4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.352 -9.676 3.649 1.00 0.00 H new ATOM 136 N LEU A 9 -11.199 -8.963 3.901 1.00 0.00 N ATOM 137 CA LEU A 9 -12.511 -9.437 4.307 1.00 0.00 C ATOM 138 C LEU A 9 -13.503 -8.272 4.272 1.00 0.00 C ATOM 139 O LEU A 9 -14.673 -8.458 3.943 1.00 0.00 O ATOM 140 CB LEU A 9 -12.432 -10.136 5.665 1.00 0.00 C ATOM 141 CG LEU A 9 -11.892 -11.568 5.652 1.00 0.00 C ATOM 142 CD1 LEU A 9 -11.554 -12.039 7.067 1.00 0.00 C ATOM 143 CD2 LEU A 9 -12.867 -12.515 4.949 1.00 0.00 C ATOM 0 H LEU A 9 -10.781 -8.275 4.528 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.877 -10.189 3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.802 -9.537 6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.430 -10.149 6.103 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.964 -11.579 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.172 -13.059 7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.796 -11.384 7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.452 -12.010 7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.459 -13.526 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.823 -12.507 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.014 -12.188 3.920 1.00 0.00 H new ATOM 153 N PHE A 10 -12.998 -7.096 4.616 1.00 0.00 N ATOM 154 CA PHE A 10 -13.824 -5.901 4.628 1.00 0.00 C ATOM 155 C PHE A 10 -13.059 -4.700 4.070 1.00 0.00 C ATOM 156 O PHE A 10 -11.830 -4.674 4.099 1.00 0.00 O ATOM 157 CB PHE A 10 -14.190 -5.626 6.088 1.00 0.00 C ATOM 158 CG PHE A 10 -14.588 -6.875 6.876 1.00 0.00 C ATOM 159 CD1 PHE A 10 -13.628 -7.677 7.409 1.00 0.00 C ATOM 160 CD2 PHE A 10 -15.902 -7.183 7.044 1.00 0.00 C ATOM 161 CE1 PHE A 10 -13.997 -8.836 8.141 1.00 0.00 C ATOM 162 CE2 PHE A 10 -16.271 -8.343 7.776 1.00 0.00 C ATOM 163 CZ PHE A 10 -15.311 -9.145 8.309 1.00 0.00 C ATOM 0 H PHE A 10 -12.027 -6.946 4.889 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.708 -6.053 4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -13.341 -5.153 6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -15.014 -4.913 6.117 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -12.585 -7.432 7.275 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -16.665 -6.546 6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -13.234 -9.473 8.565 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -17.314 -8.588 7.909 1.00 0.00 H new ATOM 0 HZ PHE A 10 -15.592 -10.027 8.866 1.00 0.00 H new ATOM 173 N SER A 11 -13.818 -3.732 3.577 1.00 0.00 N ATOM 174 CA SER A 11 -13.227 -2.531 3.014 1.00 0.00 C ATOM 175 C SER A 11 -13.678 -1.304 3.808 1.00 0.00 C ATOM 176 O SER A 11 -14.764 -1.299 4.387 1.00 0.00 O ATOM 177 CB SER A 11 -13.599 -2.373 1.538 1.00 0.00 C ATOM 178 OG SER A 11 -14.992 -2.576 1.314 1.00 0.00 O ATOM 0 H SER A 11 -14.838 -3.756 3.556 1.00 0.00 H new ATOM 0 HA SER A 11 -12.143 -2.621 3.080 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.319 -1.376 1.198 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.028 -3.085 0.942 1.00 0.00 H new ATOM 0 HG SER A 11 -15.190 -2.465 0.361 1.00 0.00 H new ATOM 184 N LYS A 12 -12.821 -0.293 3.812 1.00 0.00 N ATOM 185 CA LYS A 12 -13.118 0.937 4.526 1.00 0.00 C ATOM 186 C LYS A 12 -12.518 2.121 3.766 1.00 0.00 C ATOM 187 O LYS A 12 -11.562 1.957 3.009 1.00 0.00 O ATOM 188 CB LYS A 12 -12.650 0.839 5.980 1.00 0.00 C ATOM 189 CG LYS A 12 -13.801 0.425 6.899 1.00 0.00 C ATOM 190 CD LYS A 12 -13.930 1.387 8.082 1.00 0.00 C ATOM 191 CE LYS A 12 -15.255 1.178 8.817 1.00 0.00 C ATOM 192 NZ LYS A 12 -15.026 0.517 10.121 1.00 0.00 N ATOM 0 H LYS A 12 -11.921 -0.301 3.332 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.195 1.100 4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.840 0.114 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.250 1.800 6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.734 0.409 6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.633 -0.588 7.266 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.100 1.234 8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.865 2.416 7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.748 2.138 8.971 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.924 0.571 8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.920 0.474 10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.670 -0.448 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.326 1.059 10.667 1.00 0.00 H new ATOM 205 N THR A 13 -13.103 3.288 3.993 1.00 0.00 N ATOM 206 CA THR A 13 -12.638 4.499 3.339 1.00 0.00 C ATOM 207 C THR A 13 -11.608 5.216 4.214 1.00 0.00 C ATOM 208 O THR A 13 -11.876 5.515 5.376 1.00 0.00 O ATOM 209 CB THR A 13 -13.860 5.359 3.011 1.00 0.00 C ATOM 210 OG1 THR A 13 -14.442 4.718 1.879 1.00 0.00 O ATOM 211 CG2 THR A 13 -13.478 6.748 2.498 1.00 0.00 C ATOM 0 H THR A 13 -13.896 3.420 4.621 1.00 0.00 H new ATOM 0 HA THR A 13 -12.123 4.271 2.406 1.00 0.00 H new ATOM 0 HB THR A 13 -14.482 5.460 3.900 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.243 5.210 1.600 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.382 7.317 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.896 7.269 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.884 6.650 1.590 1.00 0.00 H new ATOM 218 N CYS A 14 -10.451 5.471 3.621 1.00 0.00 N ATOM 219 CA CYS A 14 -9.379 6.147 4.332 1.00 0.00 C ATOM 220 C CYS A 14 -9.854 7.556 4.690 1.00 0.00 C ATOM 221 O CYS A 14 -10.520 8.212 3.891 1.00 0.00 O ATOM 222 CB CYS A 14 -8.085 6.171 3.515 1.00 0.00 C ATOM 223 SG CYS A 14 -7.764 4.656 2.540 1.00 0.00 S ATOM 0 H CYS A 14 -10.232 5.222 2.656 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.144 5.601 5.246 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.116 7.023 2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.247 6.334 4.193 1.00 0.00 H new ATOM 228 N PRO A 15 -9.483 7.991 5.924 1.00 0.00 N ATOM 229 CA PRO A 15 -9.865 9.310 6.399 1.00 0.00 C ATOM 230 C PRO A 15 -9.026 10.399 5.725 1.00 0.00 C ATOM 231 O PRO A 15 -8.156 10.100 4.908 1.00 0.00 O ATOM 232 CB PRO A 15 -9.671 9.258 7.905 1.00 0.00 C ATOM 233 CG PRO A 15 -8.753 8.075 8.167 1.00 0.00 C ATOM 234 CD PRO A 15 -8.694 7.241 6.897 1.00 0.00 C ATOM 0 HA PRO A 15 -10.896 9.563 6.153 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.230 10.184 8.274 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.625 9.133 8.417 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.757 8.419 8.444 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.127 7.478 8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.667 7.110 6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.106 6.245 7.058 1.00 0.00 H new ATOM 242 N ALA A 16 -9.317 11.638 6.093 1.00 0.00 N ATOM 243 CA ALA A 16 -8.601 12.772 5.534 1.00 0.00 C ATOM 244 C ALA A 16 -7.101 12.593 5.779 1.00 0.00 C ATOM 245 O ALA A 16 -6.695 12.092 6.826 1.00 0.00 O ATOM 246 CB ALA A 16 -9.140 14.067 6.144 1.00 0.00 C ATOM 0 H ALA A 16 -10.039 11.881 6.771 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.755 12.830 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.603 14.918 5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.202 14.161 5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.000 14.046 7.225 1.00 0.00 H new ATOM 251 N GLY A 17 -6.320 13.011 4.794 1.00 0.00 N ATOM 252 CA GLY A 17 -4.874 12.903 4.889 1.00 0.00 C ATOM 253 C GLY A 17 -4.364 11.677 4.129 1.00 0.00 C ATOM 254 O GLY A 17 -3.361 11.753 3.422 1.00 0.00 O ATOM 0 H GLY A 17 -6.661 13.425 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.411 13.804 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.579 12.835 5.936 1.00 0.00 H new ATOM 258 N LYS A 18 -5.080 10.575 4.301 1.00 0.00 N ATOM 259 CA LYS A 18 -4.713 9.334 3.640 1.00 0.00 C ATOM 260 C LYS A 18 -5.441 9.241 2.298 1.00 0.00 C ATOM 261 O LYS A 18 -6.546 8.706 2.222 1.00 0.00 O ATOM 262 CB LYS A 18 -4.969 8.140 4.562 1.00 0.00 C ATOM 263 CG LYS A 18 -4.522 8.446 5.993 1.00 0.00 C ATOM 264 CD LYS A 18 -4.041 7.178 6.701 1.00 0.00 C ATOM 265 CE LYS A 18 -4.500 7.156 8.160 1.00 0.00 C ATOM 266 NZ LYS A 18 -4.859 5.780 8.570 1.00 0.00 N ATOM 0 H LYS A 18 -5.912 10.516 4.888 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.644 9.319 3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.030 7.891 4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.434 7.267 4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.720 9.184 5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.349 8.886 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.425 6.300 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.953 7.124 6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.707 7.538 8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.359 7.815 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.168 5.783 9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.631 5.429 7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.030 5.160 8.468 1.00 0.00 H new ATOM 279 N ASN A 19 -4.792 9.771 1.271 1.00 0.00 N ATOM 280 CA ASN A 19 -5.364 9.755 -0.064 1.00 0.00 C ATOM 281 C ASN A 19 -4.589 8.763 -0.934 1.00 0.00 C ATOM 282 O ASN A 19 -4.763 8.732 -2.151 1.00 0.00 O ATOM 283 CB ASN A 19 -5.269 11.134 -0.721 1.00 0.00 C ATOM 284 CG ASN A 19 -6.510 11.974 -0.414 1.00 0.00 C ATOM 285 OD1 ASN A 19 -6.580 12.688 0.573 1.00 0.00 O ATOM 286 ND2 ASN A 19 -7.483 11.849 -1.312 1.00 0.00 N ATOM 0 H ASN A 19 -3.876 10.214 1.337 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.412 9.468 0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.378 11.651 -0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.160 11.020 -1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.353 12.369 -1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.359 11.234 -2.116 1.00 0.00 H new ATOM 293 N LEU A 20 -3.751 7.976 -0.275 1.00 0.00 N ATOM 294 CA LEU A 20 -2.949 6.985 -0.973 1.00 0.00 C ATOM 295 C LEU A 20 -3.034 5.651 -0.229 1.00 0.00 C ATOM 296 O LEU A 20 -2.849 5.601 0.986 1.00 0.00 O ATOM 297 CB LEU A 20 -1.519 7.493 -1.165 1.00 0.00 C ATOM 298 CG LEU A 20 -1.341 8.633 -2.170 1.00 0.00 C ATOM 299 CD1 LEU A 20 -0.023 9.372 -1.933 1.00 0.00 C ATOM 300 CD2 LEU A 20 -1.460 8.121 -3.607 1.00 0.00 C ATOM 0 H LEU A 20 -3.610 8.004 0.735 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.340 6.816 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.140 7.825 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.897 6.656 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.146 9.352 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.079 10.177 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.016 9.790 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.809 8.676 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.330 8.951 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.691 7.370 -3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.444 7.676 -3.754 1.00 0.00 H new ATOM 310 N CYS A 21 -3.313 4.603 -0.989 1.00 0.00 N ATOM 311 CA CYS A 21 -3.424 3.272 -0.417 1.00 0.00 C ATOM 312 C CYS A 21 -2.079 2.563 -0.585 1.00 0.00 C ATOM 313 O CYS A 21 -1.513 2.550 -1.677 1.00 0.00 O ATOM 314 CB CYS A 21 -4.570 2.479 -1.047 1.00 0.00 C ATOM 315 SG CYS A 21 -6.221 3.252 -0.881 1.00 0.00 S ATOM 0 H CYS A 21 -3.466 4.648 -1.996 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.663 3.348 0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.356 2.337 -2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.601 1.489 -0.593 1.00 0.00 H new ATOM 320 N TYR A 22 -1.607 1.990 0.512 1.00 0.00 N ATOM 321 CA TYR A 22 -0.339 1.280 0.500 1.00 0.00 C ATOM 322 C TYR A 22 -0.549 -0.222 0.701 1.00 0.00 C ATOM 323 O TYR A 22 -1.539 -0.639 1.301 1.00 0.00 O ATOM 324 CB TYR A 22 0.466 1.833 1.678 1.00 0.00 C ATOM 325 CG TYR A 22 0.164 1.150 3.013 1.00 0.00 C ATOM 326 CD1 TYR A 22 0.718 -0.081 3.299 1.00 0.00 C ATOM 327 CD2 TYR A 22 -0.664 1.764 3.931 1.00 0.00 C ATOM 328 CE1 TYR A 22 0.434 -0.724 4.556 1.00 0.00 C ATOM 329 CE2 TYR A 22 -0.948 1.121 5.188 1.00 0.00 C ATOM 330 CZ TYR A 22 -0.385 -0.091 5.438 1.00 0.00 C ATOM 331 OH TYR A 22 -0.654 -0.699 6.625 1.00 0.00 O ATOM 0 H TYR A 22 -2.080 2.003 1.416 1.00 0.00 H new ATOM 0 HA TYR A 22 0.169 1.418 -0.455 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.529 1.728 1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.264 2.900 1.774 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.365 -0.562 2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.099 2.727 3.707 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.862 -1.687 4.793 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.593 1.591 5.915 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.045 -0.048 7.245 1.00 0.00 H new ATOM 341 N LYS A 23 0.399 -0.993 0.189 1.00 0.00 N ATOM 342 CA LYS A 23 0.330 -2.440 0.305 1.00 0.00 C ATOM 343 C LYS A 23 1.727 -2.991 0.597 1.00 0.00 C ATOM 344 O LYS A 23 2.638 -2.846 -0.216 1.00 0.00 O ATOM 345 CB LYS A 23 -0.323 -3.047 -0.938 1.00 0.00 C ATOM 346 CG LYS A 23 -0.078 -4.556 -1.005 1.00 0.00 C ATOM 347 CD LYS A 23 -0.419 -5.106 -2.392 1.00 0.00 C ATOM 348 CE LYS A 23 0.842 -5.266 -3.243 1.00 0.00 C ATOM 349 NZ LYS A 23 0.789 -6.527 -4.016 1.00 0.00 N ATOM 0 H LYS A 23 1.219 -0.643 -0.307 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.307 -2.725 1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.395 -2.849 -0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.077 -2.570 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.965 -4.769 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.683 -5.060 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.919 -6.069 -2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.117 -4.434 -2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.939 -4.420 -3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.723 -5.262 -2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.652 -6.620 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.719 -7.332 -3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.041 -6.516 -4.642 1.00 0.00 H new ATOM 362 N MET A 24 1.852 -3.611 1.761 1.00 0.00 N ATOM 363 CA MET A 24 3.122 -4.185 2.171 1.00 0.00 C ATOM 364 C MET A 24 3.174 -5.682 1.860 1.00 0.00 C ATOM 365 O MET A 24 2.301 -6.438 2.282 1.00 0.00 O ATOM 366 CB MET A 24 3.320 -3.969 3.673 1.00 0.00 C ATOM 367 CG MET A 24 3.615 -2.499 3.981 1.00 0.00 C ATOM 368 SD MET A 24 4.294 -2.345 5.625 1.00 0.00 S ATOM 369 CE MET A 24 3.197 -1.109 6.299 1.00 0.00 C ATOM 0 H MET A 24 1.094 -3.728 2.434 1.00 0.00 H new ATOM 0 HA MET A 24 3.918 -3.690 1.615 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.426 -4.285 4.210 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.142 -4.591 4.028 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.317 -2.099 3.249 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.701 -1.911 3.899 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.628 -0.700 7.213 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.060 -0.308 5.572 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.232 -1.563 6.524 1.00 0.00 H new ATOM 378 N PHE A 25 4.207 -6.065 1.124 1.00 0.00 N ATOM 379 CA PHE A 25 4.385 -7.458 0.751 1.00 0.00 C ATOM 380 C PHE A 25 5.867 -7.838 0.740 1.00 0.00 C ATOM 381 O PHE A 25 6.719 -7.020 0.398 1.00 0.00 O ATOM 382 CB PHE A 25 3.819 -7.618 -0.662 1.00 0.00 C ATOM 383 CG PHE A 25 4.782 -7.188 -1.770 1.00 0.00 C ATOM 384 CD1 PHE A 25 5.649 -8.089 -2.306 1.00 0.00 C ATOM 385 CD2 PHE A 25 4.772 -5.904 -2.219 1.00 0.00 C ATOM 386 CE1 PHE A 25 6.543 -7.690 -3.335 1.00 0.00 C ATOM 387 CE2 PHE A 25 5.666 -5.505 -3.248 1.00 0.00 C ATOM 388 CZ PHE A 25 6.533 -6.406 -3.784 1.00 0.00 C ATOM 0 H PHE A 25 4.929 -5.435 0.776 1.00 0.00 H new ATOM 0 HA PHE A 25 3.878 -8.103 1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.546 -8.662 -0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.903 -7.033 -0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.657 -9.108 -1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.084 -5.188 -1.793 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.231 -8.406 -3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.658 -4.486 -3.605 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.213 -6.102 -4.566 1.00 0.00 H new ATOM 398 N MET A 26 6.128 -9.081 1.120 1.00 0.00 N ATOM 399 CA MET A 26 7.493 -9.579 1.158 1.00 0.00 C ATOM 400 C MET A 26 7.970 -9.979 -0.239 1.00 0.00 C ATOM 401 O MET A 26 7.179 -10.438 -1.062 1.00 0.00 O ATOM 402 CB MET A 26 7.567 -10.791 2.090 1.00 0.00 C ATOM 403 CG MET A 26 7.301 -10.385 3.540 1.00 0.00 C ATOM 404 SD MET A 26 8.406 -11.264 4.633 1.00 0.00 S ATOM 405 CE MET A 26 7.222 -11.975 5.764 1.00 0.00 C ATOM 0 H MET A 26 5.419 -9.757 1.404 1.00 0.00 H new ATOM 0 HA MET A 26 8.141 -8.784 1.528 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.838 -11.539 1.778 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.551 -11.254 2.013 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.440 -9.310 3.657 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.266 -10.603 3.803 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.746 -12.561 6.519 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.659 -11.178 6.250 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.536 -12.620 5.215 1.00 0.00 H new ATOM 414 N VAL A 27 9.262 -9.791 -0.465 1.00 0.00 N ATOM 415 CA VAL A 27 9.854 -10.126 -1.748 1.00 0.00 C ATOM 416 C VAL A 27 9.656 -11.618 -2.022 1.00 0.00 C ATOM 417 O VAL A 27 9.840 -12.075 -3.150 1.00 0.00 O ATOM 418 CB VAL A 27 11.325 -9.703 -1.773 1.00 0.00 C ATOM 419 CG1 VAL A 27 12.169 -10.606 -0.871 1.00 0.00 C ATOM 420 CG2 VAL A 27 11.869 -9.693 -3.202 1.00 0.00 C ATOM 0 H VAL A 27 9.915 -9.411 0.220 1.00 0.00 H new ATOM 0 HA VAL A 27 9.359 -9.580 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 27 11.388 -8.687 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.210 -10.285 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.804 -10.540 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.096 -11.637 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.916 -9.389 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.786 -10.692 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.294 -8.991 -3.805 1.00 0.00 H new ATOM 428 N ALA A 28 9.285 -12.336 -0.973 1.00 0.00 N ATOM 429 CA ALA A 28 9.060 -13.767 -1.086 1.00 0.00 C ATOM 430 C ALA A 28 8.414 -14.072 -2.439 1.00 0.00 C ATOM 431 O ALA A 28 8.760 -15.057 -3.088 1.00 0.00 O ATOM 432 CB ALA A 28 8.206 -14.244 0.090 1.00 0.00 C ATOM 0 H ALA A 28 9.134 -11.953 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 28 10.005 -14.309 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.037 -15.318 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.723 -14.031 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.248 -13.724 0.079 1.00 0.00 H new ATOM 437 N ALA A 29 7.485 -13.208 -2.823 1.00 0.00 N ATOM 438 CA ALA A 29 6.787 -13.372 -4.086 1.00 0.00 C ATOM 439 C ALA A 29 6.289 -12.009 -4.570 1.00 0.00 C ATOM 440 O ALA A 29 6.024 -11.119 -3.763 1.00 0.00 O ATOM 441 CB ALA A 29 5.649 -14.381 -3.914 1.00 0.00 C ATOM 0 H ALA A 29 7.200 -12.392 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 29 7.460 -13.766 -4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.125 -14.504 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.058 -15.341 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.952 -14.018 -3.159 1.00 0.00 H new ATOM 446 N PRO A 30 6.173 -11.885 -5.919 1.00 0.00 N ATOM 447 CA PRO A 30 5.712 -10.645 -6.520 1.00 0.00 C ATOM 448 C PRO A 30 4.201 -10.478 -6.341 1.00 0.00 C ATOM 449 O PRO A 30 3.683 -9.365 -6.419 1.00 0.00 O ATOM 450 CB PRO A 30 6.130 -10.735 -7.979 1.00 0.00 C ATOM 451 CG PRO A 30 6.394 -12.208 -8.247 1.00 0.00 C ATOM 452 CD PRO A 30 6.478 -12.918 -6.905 1.00 0.00 C ATOM 0 HA PRO A 30 6.146 -9.763 -6.049 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.347 -10.353 -8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.022 -10.138 -8.167 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.596 -12.634 -8.855 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.322 -12.334 -8.805 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.767 -13.742 -6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.469 -13.341 -6.742 1.00 0.00 H new ATOM 460 N HIS A 31 3.538 -11.600 -6.103 1.00 0.00 N ATOM 461 CA HIS A 31 2.098 -11.591 -5.912 1.00 0.00 C ATOM 462 C HIS A 31 1.747 -12.337 -4.623 1.00 0.00 C ATOM 463 O HIS A 31 1.049 -13.349 -4.657 1.00 0.00 O ATOM 464 CB HIS A 31 1.383 -12.161 -7.139 1.00 0.00 C ATOM 465 CG HIS A 31 -0.099 -11.873 -7.176 1.00 0.00 C ATOM 466 ND1 HIS A 31 -0.972 -12.314 -6.196 1.00 0.00 N ATOM 467 CD2 HIS A 31 -0.851 -11.186 -8.081 1.00 0.00 C ATOM 468 CE1 HIS A 31 -2.192 -11.905 -6.510 1.00 0.00 C ATOM 469 NE2 HIS A 31 -2.116 -11.206 -7.678 1.00 0.00 N ATOM 0 H HIS A 31 3.971 -12.521 -6.038 1.00 0.00 H new ATOM 0 HA HIS A 31 1.749 -10.564 -5.804 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.845 -11.752 -8.038 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.534 -13.240 -7.166 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -0.719 -12.861 -5.373 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.481 -10.706 -8.975 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.090 -12.092 -5.940 1.00 0.00 H new ATOM 477 N VAL A 32 2.247 -11.807 -3.516 1.00 0.00 N ATOM 478 CA VAL A 32 1.995 -12.410 -2.218 1.00 0.00 C ATOM 479 C VAL A 32 2.071 -11.331 -1.136 1.00 0.00 C ATOM 480 O VAL A 32 3.112 -11.152 -0.505 1.00 0.00 O ATOM 481 CB VAL A 32 2.969 -13.565 -1.980 1.00 0.00 C ATOM 482 CG1 VAL A 32 2.934 -14.020 -0.519 1.00 0.00 C ATOM 483 CG2 VAL A 32 2.677 -14.733 -2.925 1.00 0.00 C ATOM 0 H VAL A 32 2.825 -10.967 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 32 0.992 -12.836 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 32 3.975 -13.204 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.636 -14.842 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.214 -13.188 0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.928 -14.354 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.384 -15.541 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.662 -15.092 -2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.777 -14.399 -3.958 1.00 0.00 H new ATOM 491 N PRO A 33 0.926 -10.621 -0.951 1.00 0.00 N ATOM 492 CA PRO A 33 0.853 -9.564 0.044 1.00 0.00 C ATOM 493 C PRO A 33 0.763 -10.146 1.456 1.00 0.00 C ATOM 494 O PRO A 33 0.268 -11.257 1.644 1.00 0.00 O ATOM 495 CB PRO A 33 -0.368 -8.746 -0.341 1.00 0.00 C ATOM 496 CG PRO A 33 -1.197 -9.636 -1.251 1.00 0.00 C ATOM 497 CD PRO A 33 -0.325 -10.805 -1.680 1.00 0.00 C ATOM 0 HA PRO A 33 1.746 -8.939 0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.936 -8.453 0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.078 -7.828 -0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.085 -9.993 -0.730 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.541 -9.077 -2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.791 -11.759 -1.432 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.160 -10.801 -2.757 1.00 0.00 H new ATOM 505 N VAL A 34 1.248 -9.369 2.414 1.00 0.00 N ATOM 506 CA VAL A 34 1.228 -9.793 3.803 1.00 0.00 C ATOM 507 C VAL A 34 0.158 -9.002 4.558 1.00 0.00 C ATOM 508 O VAL A 34 -0.466 -9.520 5.483 1.00 0.00 O ATOM 509 CB VAL A 34 2.622 -9.647 4.415 1.00 0.00 C ATOM 510 CG1 VAL A 34 3.110 -8.199 4.330 1.00 0.00 C ATOM 511 CG2 VAL A 34 2.642 -10.148 5.861 1.00 0.00 C ATOM 0 H VAL A 34 1.657 -8.448 2.255 1.00 0.00 H new ATOM 0 HA VAL A 34 0.965 -10.848 3.876 1.00 0.00 H new ATOM 0 HB VAL A 34 3.308 -10.266 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.103 -8.123 4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.153 -7.890 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.421 -7.551 4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.645 -10.033 6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.937 -9.568 6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.359 -11.200 5.885 1.00 0.00 H new ATOM 519 N LYS A 35 -0.021 -7.759 4.136 1.00 0.00 N ATOM 520 CA LYS A 35 -1.005 -6.891 4.761 1.00 0.00 C ATOM 521 C LYS A 35 -1.128 -5.600 3.949 1.00 0.00 C ATOM 522 O LYS A 35 -0.375 -5.384 3.001 1.00 0.00 O ATOM 523 CB LYS A 35 -0.658 -6.661 6.233 1.00 0.00 C ATOM 524 CG LYS A 35 0.540 -5.720 6.374 1.00 0.00 C ATOM 525 CD LYS A 35 1.564 -6.280 7.363 1.00 0.00 C ATOM 526 CE LYS A 35 2.748 -5.325 7.527 1.00 0.00 C ATOM 527 NZ LYS A 35 2.728 -4.700 8.868 1.00 0.00 N ATOM 0 H LYS A 35 0.499 -7.332 3.369 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.987 -7.364 4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.519 -6.239 6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.434 -7.615 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.010 -5.576 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.200 -4.741 6.712 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.089 -6.445 8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.920 -7.249 7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.683 -5.868 7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.709 -4.553 6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.538 -4.055 8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.844 -4.166 8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.788 -5.440 9.597 1.00 0.00 H new ATOM 540 N ARG A 36 -2.081 -4.745 4.326 1.00 0.00 N ATOM 541 CA ARG A 36 -2.299 -3.489 3.638 1.00 0.00 C ATOM 542 C ARG A 36 -2.843 -2.454 4.613 1.00 0.00 C ATOM 543 O ARG A 36 -3.141 -2.777 5.760 1.00 0.00 O ATOM 544 CB ARG A 36 -3.272 -3.706 2.482 1.00 0.00 C ATOM 545 CG ARG A 36 -2.600 -4.551 1.404 1.00 0.00 C ATOM 546 CD ARG A 36 -3.604 -4.853 0.295 1.00 0.00 C ATOM 547 NE ARG A 36 -4.576 -5.858 0.725 1.00 0.00 N ATOM 548 CZ ARG A 36 -4.352 -7.175 0.624 1.00 0.00 C ATOM 549 NH1 ARG A 36 -3.196 -7.621 0.112 1.00 0.00 N ATOM 550 NH2 ARG A 36 -5.283 -8.047 1.035 1.00 0.00 N ATOM 0 H ARG A 36 -2.713 -4.909 5.110 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.355 -3.121 3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.173 -4.203 2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.581 -2.746 2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.739 -4.021 0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.227 -5.480 1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.124 -3.938 0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.077 -5.208 -0.591 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.462 -5.543 1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.487 -6.958 -0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.025 -8.624 0.035 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.163 -7.708 1.425 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.112 -9.050 0.958 1.00 0.00 H new ATOM 564 N GLY A 37 -2.957 -1.228 4.123 1.00 0.00 N ATOM 565 CA GLY A 37 -3.463 -0.140 4.942 1.00 0.00 C ATOM 566 C GLY A 37 -3.495 1.171 4.154 1.00 0.00 C ATOM 567 O GLY A 37 -3.134 1.202 2.978 1.00 0.00 O ATOM 0 H GLY A 37 -2.708 -0.964 3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.466 -0.381 5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.835 -0.022 5.825 1.00 0.00 H new ATOM 571 N CYS A 38 -3.929 2.223 4.833 1.00 0.00 N ATOM 572 CA CYS A 38 -4.013 3.533 4.211 1.00 0.00 C ATOM 573 C CYS A 38 -2.853 4.386 4.728 1.00 0.00 C ATOM 574 O CYS A 38 -2.341 4.146 5.821 1.00 0.00 O ATOM 575 CB CYS A 38 -5.368 4.196 4.468 1.00 0.00 C ATOM 576 SG CYS A 38 -6.790 3.376 3.659 1.00 0.00 S ATOM 0 H CYS A 38 -4.226 2.194 5.808 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.933 3.430 3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.546 4.222 5.543 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.321 5.230 4.127 1.00 0.00 H new ATOM 581 N ILE A 39 -2.472 5.363 3.919 1.00 0.00 N ATOM 582 CA ILE A 39 -1.381 6.252 4.281 1.00 0.00 C ATOM 583 C ILE A 39 -1.491 7.544 3.469 1.00 0.00 C ATOM 584 O ILE A 39 -2.394 7.689 2.647 1.00 0.00 O ATOM 585 CB ILE A 39 -0.036 5.541 4.127 1.00 0.00 C ATOM 586 CG1 ILE A 39 0.933 5.953 5.237 1.00 0.00 C ATOM 587 CG2 ILE A 39 0.553 5.778 2.734 1.00 0.00 C ATOM 588 CD1 ILE A 39 1.132 4.816 6.241 1.00 0.00 C ATOM 0 H ILE A 39 -2.899 5.559 3.014 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.449 6.529 5.333 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.203 4.469 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.893 6.231 4.802 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.549 6.834 5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.509 5.262 2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.133 5.395 1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.703 6.847 2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.825 5.135 7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.174 4.557 6.692 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.539 3.945 5.728 1.00 0.00 H new ATOM 598 N ASP A 40 -0.568 8.479 3.705 1.00 0.00 N ATOM 599 CA ASP A 40 -0.565 9.745 3.001 1.00 0.00 C ATOM 600 C ASP A 40 0.663 9.835 2.107 1.00 0.00 C ATOM 601 O ASP A 40 0.606 10.421 1.028 1.00 0.00 O ATOM 602 CB ASP A 40 -0.583 10.888 4.012 1.00 0.00 C ATOM 603 CG ASP A 40 0.409 10.633 5.138 1.00 0.00 C ATOM 604 OD1 ASP A 40 0.215 9.621 5.846 1.00 0.00 O ATOM 605 OD2 ASP A 40 1.342 11.455 5.270 1.00 0.00 O ATOM 0 H ASP A 40 0.187 8.374 4.383 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.453 9.819 2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.338 11.825 3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.586 10.999 4.424 1.00 0.00 H new ATOM 611 N VAL A 41 1.749 9.245 2.585 1.00 0.00 N ATOM 612 CA VAL A 41 2.995 9.252 1.838 1.00 0.00 C ATOM 613 C VAL A 41 3.544 7.826 1.755 1.00 0.00 C ATOM 614 O VAL A 41 3.345 7.027 2.669 1.00 0.00 O ATOM 615 CB VAL A 41 3.980 10.236 2.471 1.00 0.00 C ATOM 616 CG1 VAL A 41 4.487 9.715 3.817 1.00 0.00 C ATOM 617 CG2 VAL A 41 5.145 10.533 1.524 1.00 0.00 C ATOM 0 H VAL A 41 1.792 8.759 3.481 1.00 0.00 H new ATOM 0 HA VAL A 41 2.825 9.595 0.817 1.00 0.00 H new ATOM 0 HB VAL A 41 3.449 11.171 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.186 10.434 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.645 9.579 4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.992 8.760 3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.830 11.235 1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.674 9.608 1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.762 10.968 0.601 1.00 0.00 H new ATOM 625 N CYS A 42 4.223 7.551 0.652 1.00 0.00 N ATOM 626 CA CYS A 42 4.802 6.235 0.438 1.00 0.00 C ATOM 627 C CYS A 42 6.190 6.211 1.083 1.00 0.00 C ATOM 628 O CYS A 42 7.000 7.107 0.854 1.00 0.00 O ATOM 629 CB CYS A 42 4.857 5.875 -1.048 1.00 0.00 C ATOM 630 SG CYS A 42 4.570 4.107 -1.420 1.00 0.00 S ATOM 0 H CYS A 42 4.386 8.217 -0.104 1.00 0.00 H new ATOM 0 HA CYS A 42 4.172 5.478 0.904 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.113 6.469 -1.579 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.833 6.161 -1.441 1.00 0.00 H new ATOM 635 N PRO A 43 6.427 5.147 1.897 1.00 0.00 N ATOM 636 CA PRO A 43 7.702 4.994 2.576 1.00 0.00 C ATOM 637 C PRO A 43 8.790 4.535 1.603 1.00 0.00 C ATOM 638 O PRO A 43 8.555 4.453 0.398 1.00 0.00 O ATOM 639 CB PRO A 43 7.438 3.991 3.687 1.00 0.00 C ATOM 640 CG PRO A 43 6.155 3.272 3.304 1.00 0.00 C ATOM 641 CD PRO A 43 5.490 4.066 2.191 1.00 0.00 C ATOM 0 HA PRO A 43 8.076 5.933 2.985 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.266 3.288 3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.332 4.493 4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.371 2.257 2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.491 3.191 4.165 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.313 3.445 1.313 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.522 4.456 2.506 1.00 0.00 H new ATOM 649 N LYS A 44 9.957 4.249 2.161 1.00 0.00 N ATOM 650 CA LYS A 44 11.081 3.801 1.358 1.00 0.00 C ATOM 651 C LYS A 44 10.931 2.306 1.067 1.00 0.00 C ATOM 652 O LYS A 44 10.458 1.550 1.914 1.00 0.00 O ATOM 653 CB LYS A 44 12.403 4.165 2.036 1.00 0.00 C ATOM 654 CG LYS A 44 13.595 3.645 1.229 1.00 0.00 C ATOM 655 CD LYS A 44 14.887 4.352 1.643 1.00 0.00 C ATOM 656 CE LYS A 44 15.821 4.533 0.445 1.00 0.00 C ATOM 657 NZ LYS A 44 16.560 3.280 0.171 1.00 0.00 N ATOM 0 H LYS A 44 10.148 4.319 3.160 1.00 0.00 H new ATOM 0 HA LYS A 44 11.090 4.314 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.475 5.247 2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.428 3.744 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.700 2.571 1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.415 3.802 0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.651 5.325 2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.391 3.773 2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.244 4.821 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.525 5.341 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.190 3.420 -0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.126 3.021 1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.885 2.518 -0.039 1.00 0.00 H new ATOM 670 N SER A 45 11.343 1.925 -0.134 1.00 0.00 N ATOM 671 CA SER A 45 11.260 0.535 -0.547 1.00 0.00 C ATOM 672 C SER A 45 12.641 -0.118 -0.467 1.00 0.00 C ATOM 673 O SER A 45 13.603 0.385 -1.046 1.00 0.00 O ATOM 674 CB SER A 45 10.696 0.414 -1.964 1.00 0.00 C ATOM 675 OG SER A 45 9.279 0.265 -1.964 1.00 0.00 O ATOM 0 H SER A 45 11.735 2.555 -0.834 1.00 0.00 H new ATOM 0 HA SER A 45 10.581 0.017 0.130 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.967 1.299 -2.539 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.150 -0.442 -2.463 1.00 0.00 H new ATOM 0 HG SER A 45 8.958 0.193 -2.887 1.00 0.00 H new ATOM 681 N SER A 46 12.696 -1.228 0.254 1.00 0.00 N ATOM 682 CA SER A 46 13.943 -1.955 0.416 1.00 0.00 C ATOM 683 C SER A 46 13.924 -3.225 -0.436 1.00 0.00 C ATOM 684 O SER A 46 12.909 -3.549 -1.051 1.00 0.00 O ATOM 685 CB SER A 46 14.189 -2.305 1.885 1.00 0.00 C ATOM 686 OG SER A 46 13.392 -3.406 2.312 1.00 0.00 O ATOM 0 H SER A 46 11.896 -1.642 0.733 1.00 0.00 H new ATOM 0 HA SER A 46 14.758 -1.314 0.081 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.243 -2.543 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.970 -1.436 2.506 1.00 0.00 H new ATOM 0 HG SER A 46 12.557 -3.424 1.799 1.00 0.00 H new ATOM 692 N LEU A 47 15.058 -3.910 -0.446 1.00 0.00 N ATOM 693 CA LEU A 47 15.184 -5.138 -1.213 1.00 0.00 C ATOM 694 C LEU A 47 14.372 -6.243 -0.536 1.00 0.00 C ATOM 695 O LEU A 47 13.569 -6.914 -1.183 1.00 0.00 O ATOM 696 CB LEU A 47 16.658 -5.494 -1.416 1.00 0.00 C ATOM 697 CG LEU A 47 17.367 -4.786 -2.572 1.00 0.00 C ATOM 698 CD1 LEU A 47 18.886 -4.923 -2.451 1.00 0.00 C ATOM 699 CD2 LEU A 47 16.852 -5.291 -3.922 1.00 0.00 C ATOM 0 H LEU A 47 15.898 -3.638 0.065 1.00 0.00 H new ATOM 0 HA LEU A 47 14.771 -5.006 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.195 -5.270 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.733 -6.570 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 47 17.134 -3.723 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.365 -4.411 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.218 -4.478 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.159 -5.978 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.372 -4.772 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.035 -6.362 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.782 -5.099 -3.998 1.00 0.00 H new ATOM 709 N LEU A 48 14.608 -6.398 0.759 1.00 0.00 N ATOM 710 CA LEU A 48 13.908 -7.411 1.531 1.00 0.00 C ATOM 711 C LEU A 48 12.401 -7.254 1.323 1.00 0.00 C ATOM 712 O LEU A 48 11.752 -8.138 0.766 1.00 0.00 O ATOM 713 CB LEU A 48 14.335 -7.355 2.999 1.00 0.00 C ATOM 714 CG LEU A 48 14.315 -8.686 3.755 1.00 0.00 C ATOM 715 CD1 LEU A 48 12.904 -9.275 3.789 1.00 0.00 C ATOM 716 CD2 LEU A 48 15.332 -9.666 3.166 1.00 0.00 C ATOM 0 H LEU A 48 15.274 -5.839 1.293 1.00 0.00 H new ATOM 0 HA LEU A 48 14.176 -8.408 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.345 -6.947 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.683 -6.654 3.520 1.00 0.00 H new ATOM 0 HG LEU A 48 14.610 -8.498 4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.917 -10.220 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.231 -8.579 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.557 -9.447 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.298 -10.603 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.092 -9.855 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.332 -9.239 3.237 1.00 0.00 H new ATOM 726 N VAL A 49 11.888 -6.121 1.781 1.00 0.00 N ATOM 727 CA VAL A 49 10.469 -5.836 1.651 1.00 0.00 C ATOM 728 C VAL A 49 10.275 -4.649 0.706 1.00 0.00 C ATOM 729 O VAL A 49 11.124 -3.762 0.636 1.00 0.00 O ATOM 730 CB VAL A 49 9.853 -5.607 3.033 1.00 0.00 C ATOM 731 CG1 VAL A 49 9.907 -6.882 3.877 1.00 0.00 C ATOM 732 CG2 VAL A 49 10.540 -4.444 3.753 1.00 0.00 C ATOM 0 H VAL A 49 12.430 -5.390 2.242 1.00 0.00 H new ATOM 0 HA VAL A 49 9.947 -6.687 1.214 1.00 0.00 H new ATOM 0 HB VAL A 49 8.805 -5.343 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.463 -6.691 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.352 -7.675 3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.945 -7.190 4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.084 -4.302 4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.600 -4.667 3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.426 -3.534 3.164 1.00 0.00 H new ATOM 740 N LYS A 50 9.153 -4.671 0.002 1.00 0.00 N ATOM 741 CA LYS A 50 8.837 -3.608 -0.936 1.00 0.00 C ATOM 742 C LYS A 50 7.431 -3.078 -0.645 1.00 0.00 C ATOM 743 O LYS A 50 6.611 -3.777 -0.053 1.00 0.00 O ATOM 744 CB LYS A 50 9.026 -4.090 -2.376 1.00 0.00 C ATOM 745 CG LYS A 50 10.270 -3.459 -3.006 1.00 0.00 C ATOM 746 CD LYS A 50 10.575 -4.090 -4.366 1.00 0.00 C ATOM 747 CE LYS A 50 10.327 -3.094 -5.501 1.00 0.00 C ATOM 748 NZ LYS A 50 11.585 -2.813 -6.228 1.00 0.00 N ATOM 0 H LYS A 50 8.451 -5.409 0.063 1.00 0.00 H new ATOM 0 HA LYS A 50 9.526 -2.773 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.117 -5.176 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.146 -3.836 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.118 -2.386 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.124 -3.588 -2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.612 -4.425 -4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.952 -4.973 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.584 -3.496 -6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.919 -2.168 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.399 -2.135 -6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.283 -2.409 -5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.959 -3.697 -6.630 1.00 0.00 H new ATOM 761 N TYR A 51 7.197 -1.847 -1.076 1.00 0.00 N ATOM 762 CA TYR A 51 5.905 -1.215 -0.869 1.00 0.00 C ATOM 763 C TYR A 51 5.414 -0.538 -2.151 1.00 0.00 C ATOM 764 O TYR A 51 6.186 0.127 -2.841 1.00 0.00 O ATOM 765 CB TYR A 51 6.125 -0.148 0.205 1.00 0.00 C ATOM 766 CG TYR A 51 6.855 -0.658 1.449 1.00 0.00 C ATOM 767 CD1 TYR A 51 6.531 -1.888 1.983 1.00 0.00 C ATOM 768 CD2 TYR A 51 7.838 0.112 2.036 1.00 0.00 C ATOM 769 CE1 TYR A 51 7.219 -2.368 3.154 1.00 0.00 C ATOM 770 CE2 TYR A 51 8.526 -0.368 3.207 1.00 0.00 C ATOM 771 CZ TYR A 51 8.182 -1.585 3.708 1.00 0.00 C ATOM 772 OH TYR A 51 8.832 -2.038 4.813 1.00 0.00 O ATOM 0 H TYR A 51 7.880 -1.271 -1.567 1.00 0.00 H new ATOM 0 HA TYR A 51 5.158 -1.954 -0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.695 0.675 -0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.158 0.257 0.504 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.762 -2.491 1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.092 1.075 1.617 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.975 -3.329 3.582 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.297 0.225 3.676 1.00 0.00 H new ATOM 0 HH TYR A 51 9.494 -1.374 5.098 1.00 0.00 H new ATOM 782 N VAL A 52 4.134 -0.731 -2.430 1.00 0.00 N ATOM 783 CA VAL A 52 3.531 -0.147 -3.617 1.00 0.00 C ATOM 784 C VAL A 52 2.390 0.783 -3.199 1.00 0.00 C ATOM 785 O VAL A 52 1.566 0.423 -2.360 1.00 0.00 O ATOM 786 CB VAL A 52 3.080 -1.254 -4.573 1.00 0.00 C ATOM 787 CG1 VAL A 52 2.242 -0.681 -5.717 1.00 0.00 C ATOM 788 CG2 VAL A 52 4.280 -2.036 -5.110 1.00 0.00 C ATOM 0 H VAL A 52 3.497 -1.283 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 52 4.260 0.456 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 52 2.452 -1.947 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.934 -1.488 -6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.359 -0.189 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.835 0.043 -6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.932 -2.817 -5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.944 -1.359 -5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.820 -2.490 -4.279 1.00 0.00 H new ATOM 796 N CYS A 53 2.379 1.962 -3.804 1.00 0.00 N ATOM 797 CA CYS A 53 1.353 2.947 -3.505 1.00 0.00 C ATOM 798 C CYS A 53 0.584 3.244 -4.793 1.00 0.00 C ATOM 799 O CYS A 53 1.142 3.168 -5.886 1.00 0.00 O ATOM 800 CB CYS A 53 1.949 4.215 -2.890 1.00 0.00 C ATOM 801 SG CYS A 53 2.488 4.043 -1.149 1.00 0.00 S ATOM 0 H CYS A 53 3.064 2.257 -4.500 1.00 0.00 H new ATOM 0 HA CYS A 53 0.667 2.548 -2.758 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.803 4.527 -3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.209 5.013 -2.950 1.00 0.00 H new ATOM 806 N CYS A 54 -0.687 3.578 -4.622 1.00 0.00 N ATOM 807 CA CYS A 54 -1.540 3.887 -5.757 1.00 0.00 C ATOM 808 C CYS A 54 -2.740 4.691 -5.252 1.00 0.00 C ATOM 809 O CYS A 54 -3.156 4.537 -4.105 1.00 0.00 O ATOM 810 CB CYS A 54 -1.972 2.622 -6.501 1.00 0.00 C ATOM 811 SG CYS A 54 -1.994 1.102 -5.483 1.00 0.00 S ATOM 0 H CYS A 54 -1.147 3.641 -3.714 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.984 4.483 -6.481 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.969 2.782 -6.912 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.300 2.467 -7.345 1.00 0.00 H new ATOM 816 N ASN A 55 -3.262 5.530 -6.133 1.00 0.00 N ATOM 817 CA ASN A 55 -4.406 6.358 -5.791 1.00 0.00 C ATOM 818 C ASN A 55 -5.611 5.928 -6.631 1.00 0.00 C ATOM 819 O ASN A 55 -6.037 6.654 -7.528 1.00 0.00 O ATOM 820 CB ASN A 55 -4.127 7.833 -6.086 1.00 0.00 C ATOM 821 CG ASN A 55 -3.715 8.032 -7.546 1.00 0.00 C ATOM 822 OD1 ASN A 55 -3.725 7.116 -8.351 1.00 0.00 O ATOM 823 ND2 ASN A 55 -3.354 9.278 -7.841 1.00 0.00 N ATOM 0 H ASN A 55 -2.914 5.655 -7.084 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.605 6.234 -4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.017 8.425 -5.872 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.337 8.196 -5.429 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.063 9.513 -8.790 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.369 9.998 -7.118 1.00 0.00 H new ATOM 830 N THR A 56 -6.125 4.750 -6.311 1.00 0.00 N ATOM 831 CA THR A 56 -7.272 4.215 -7.025 1.00 0.00 C ATOM 832 C THR A 56 -8.124 3.350 -6.094 1.00 0.00 C ATOM 833 O THR A 56 -7.625 2.827 -5.098 1.00 0.00 O ATOM 834 CB THR A 56 -6.756 3.461 -8.252 1.00 0.00 C ATOM 835 OG1 THR A 56 -5.785 2.562 -7.723 1.00 0.00 O ATOM 836 CG2 THR A 56 -5.956 4.360 -9.197 1.00 0.00 C ATOM 0 H THR A 56 -5.768 4.151 -5.567 1.00 0.00 H new ATOM 0 HA THR A 56 -7.930 5.013 -7.369 1.00 0.00 H new ATOM 0 HB THR A 56 -7.597 3.025 -8.791 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.400 2.031 -8.451 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.613 3.776 -10.051 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.589 5.176 -9.546 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.095 4.769 -8.668 1.00 0.00 H new ATOM 843 N ASP A 57 -9.408 3.202 -6.423 1.00 0.00 N ATOM 844 CA ASP A 57 -10.317 2.408 -5.621 1.00 0.00 C ATOM 845 C ASP A 57 -9.889 0.948 -5.652 1.00 0.00 C ATOM 846 O ASP A 57 -9.768 0.357 -6.723 1.00 0.00 O ATOM 847 CB ASP A 57 -11.737 2.566 -6.157 1.00 0.00 C ATOM 848 CG ASP A 57 -12.498 3.628 -5.375 1.00 0.00 C ATOM 849 OD1 ASP A 57 -12.123 3.847 -4.203 1.00 0.00 O ATOM 850 OD2 ASP A 57 -13.440 4.201 -5.964 1.00 0.00 O ATOM 0 H ASP A 57 -9.836 3.627 -7.245 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.292 2.752 -4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.704 2.839 -7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.263 1.614 -6.091 1.00 0.00 H new ATOM 856 N LYS A 58 -9.669 0.402 -4.464 1.00 0.00 N ATOM 857 CA LYS A 58 -9.255 -0.985 -4.343 1.00 0.00 C ATOM 858 C LYS A 58 -7.969 -1.200 -5.144 1.00 0.00 C ATOM 859 O LYS A 58 -7.903 -2.090 -5.991 1.00 0.00 O ATOM 860 CB LYS A 58 -10.395 -1.922 -4.747 1.00 0.00 C ATOM 861 CG LYS A 58 -10.600 -3.019 -3.700 1.00 0.00 C ATOM 862 CD LYS A 58 -11.208 -4.273 -4.331 1.00 0.00 C ATOM 863 CE LYS A 58 -10.254 -5.463 -4.214 1.00 0.00 C ATOM 864 NZ LYS A 58 -9.564 -5.704 -5.501 1.00 0.00 N ATOM 0 H LYS A 58 -9.770 0.896 -3.577 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.029 -1.226 -3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.316 -1.351 -4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.174 -2.374 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.645 -3.267 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.253 -2.653 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.152 -4.510 -3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.432 -4.084 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.520 -5.272 -3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.809 -6.354 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.921 -6.515 -5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.268 -5.907 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.018 -4.859 -5.766 1.00 0.00 H new ATOM 877 N CYS A 59 -6.980 -0.370 -4.849 1.00 0.00 N ATOM 878 CA CYS A 59 -5.700 -0.458 -5.531 1.00 0.00 C ATOM 879 C CYS A 59 -4.789 -1.387 -4.725 1.00 0.00 C ATOM 880 O CYS A 59 -4.160 -2.284 -5.285 1.00 0.00 O ATOM 881 CB CYS A 59 -5.071 0.921 -5.735 1.00 0.00 C ATOM 882 SG CYS A 59 -3.793 1.372 -4.506 1.00 0.00 S ATOM 0 H CYS A 59 -7.039 0.367 -4.147 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.845 -0.869 -6.530 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.627 0.959 -6.730 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.860 1.672 -5.709 1.00 0.00 H new ATOM 887 N ASN A 60 -4.747 -1.140 -3.424 1.00 0.00 N ATOM 888 CA ASN A 60 -3.924 -1.943 -2.536 1.00 0.00 C ATOM 889 C ASN A 60 -4.671 -3.229 -2.179 1.00 0.00 C ATOM 890 O ASN A 60 -4.268 -4.318 -2.585 1.00 0.00 O ATOM 891 CB ASN A 60 -3.624 -1.194 -1.236 1.00 0.00 C ATOM 892 CG ASN A 60 -4.841 -1.197 -0.308 1.00 0.00 C ATOM 893 OD1 ASN A 60 -5.974 -1.364 -0.728 1.00 0.00 O ATOM 894 ND2 ASN A 60 -4.544 -1.005 0.974 1.00 0.00 N ATOM 0 H ASN A 60 -5.270 -0.395 -2.964 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.988 -2.162 -3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.777 -1.658 -0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.337 -0.167 -1.462 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.287 -0.991 1.673 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.574 -0.872 1.258 1.00 0.00 H new