USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 24 MET CE :methyl 158:sc= -0.128 (180deg=-0.872) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 1.93 K(o=1.9,f=-7.4!) 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 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0674) USER MOD Single : A 19 ASN : amide:sc= -0.289 K(o=-0.29,f=-3.3!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.00929) USER MOD Single : A 26 MET CE :methyl -179:sc= 0 (180deg=-0.00302) USER MOD Single : A 27 MET CE :methyl -166:sc= -0.0142 (180deg=-0.261) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 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= 0.765 K(o=0.77,f=-3.5!) USER MOD Single : A 46 SER OG : rot -45:sc= 1.29 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.075 K(o=0.075,f=-3.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.55! USER MOD Single : A 60 ASN : amide:sc= -2.57! C(o=-2.6!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 40 N LYS A 2 -9.822 5.403 -0.953 1.00 0.00 N ATOM 41 CA LYS A 2 -9.894 4.235 -0.092 1.00 0.00 C ATOM 42 C LYS A 2 -8.896 3.184 -0.585 1.00 0.00 C ATOM 43 O LYS A 2 -8.834 2.891 -1.779 1.00 0.00 O ATOM 44 CB LYS A 2 -11.313 3.665 -0.065 1.00 0.00 C ATOM 45 CG LYS A 2 -11.879 3.319 -1.435 1.00 0.00 C ATOM 46 CD LYS A 2 -13.255 2.682 -1.322 1.00 0.00 C ATOM 47 CE LYS A 2 -13.821 2.336 -2.691 1.00 0.00 C ATOM 48 NZ LYS A 2 -15.198 1.781 -2.600 1.00 0.00 N ATOM 0 HA LYS A 2 -9.637 4.525 0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.319 2.768 0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.973 4.388 0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.943 4.222 -2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.202 2.637 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.191 1.779 -0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.932 3.364 -0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.831 3.229 -3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.170 1.612 -3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.546 1.559 -3.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.186 0.914 -2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.826 2.481 -2.157 1.00 0.00 H new ATOM 61 N CYS A 3 -8.139 2.644 0.360 1.00 0.00 N ATOM 62 CA CYS A 3 -7.207 1.573 0.052 1.00 0.00 C ATOM 63 C CYS A 3 -7.493 0.401 0.993 1.00 0.00 C ATOM 64 O CYS A 3 -8.309 0.518 1.904 1.00 0.00 O ATOM 65 CB CYS A 3 -5.843 2.198 0.344 1.00 0.00 C ATOM 66 SG CYS A 3 -5.501 3.716 -0.578 1.00 0.00 S ATOM 0 H CYS A 3 -8.153 2.929 1.339 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.271 1.192 -0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.777 2.413 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.067 1.467 0.117 1.00 0.00 H new ATOM 71 N ASN A 4 -6.805 -0.703 0.737 1.00 0.00 N ATOM 72 CA ASN A 4 -7.116 -1.949 1.414 1.00 0.00 C ATOM 73 C ASN A 4 -6.178 -2.124 2.610 1.00 0.00 C ATOM 74 O ASN A 4 -4.993 -1.800 2.527 1.00 0.00 O ATOM 75 CB ASN A 4 -7.023 -3.138 0.476 1.00 0.00 C ATOM 76 CG ASN A 4 -8.137 -3.202 -0.532 1.00 0.00 C ATOM 77 OD1 ASN A 4 -9.273 -2.799 -0.258 1.00 0.00 O ATOM 78 ND2 ASN A 4 -7.838 -3.780 -1.667 1.00 0.00 N ATOM 0 H ASN A 4 -6.035 -0.759 0.071 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.147 -1.903 1.765 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.070 -3.100 -0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.025 -4.055 1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.559 -3.916 -2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.884 -4.095 -1.843 1.00 0.00 H new ATOM 85 N LYS A 5 -6.741 -2.634 3.695 1.00 0.00 N ATOM 86 CA LYS A 5 -5.934 -3.076 4.820 1.00 0.00 C ATOM 87 C LYS A 5 -5.158 -4.334 4.421 1.00 0.00 C ATOM 88 O LYS A 5 -5.298 -4.826 3.302 1.00 0.00 O ATOM 89 CB LYS A 5 -6.807 -3.344 6.046 1.00 0.00 C ATOM 90 CG LYS A 5 -7.503 -2.110 6.604 1.00 0.00 C ATOM 91 CD LYS A 5 -8.348 -2.454 7.822 1.00 0.00 C ATOM 92 CE LYS A 5 -9.017 -1.216 8.400 1.00 0.00 C ATOM 93 NZ LYS A 5 -9.853 -1.539 9.589 1.00 0.00 N ATOM 0 H LYS A 5 -7.747 -2.751 3.819 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.229 -2.288 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.562 -4.085 5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.188 -3.782 6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.758 -1.362 6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.135 -1.667 5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.108 -3.185 7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.721 -2.919 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.255 -0.489 8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.638 -0.749 7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.291 -0.668 9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.597 -2.213 9.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.256 -1.961 10.329 1.00 0.00 H new ATOM 106 N LEU A 6 -4.356 -4.817 5.358 1.00 0.00 N ATOM 107 CA LEU A 6 -3.764 -6.138 5.229 1.00 0.00 C ATOM 108 C LEU A 6 -4.872 -7.166 4.988 1.00 0.00 C ATOM 109 O LEU A 6 -4.688 -8.113 4.226 1.00 0.00 O ATOM 110 CB LEU A 6 -2.887 -6.452 6.442 1.00 0.00 C ATOM 111 CG LEU A 6 -2.132 -7.782 6.398 1.00 0.00 C ATOM 112 CD1 LEU A 6 -1.240 -7.865 5.158 1.00 0.00 C ATOM 113 CD2 LEU A 6 -1.345 -8.011 7.688 1.00 0.00 C ATOM 0 H LEU A 6 -4.102 -4.317 6.210 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.099 -6.176 4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.160 -5.648 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.516 -6.443 7.332 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.863 -8.587 6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.715 -8.820 5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.855 -7.782 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.514 -7.052 5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.818 -8.964 7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.623 -7.205 7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.031 -8.028 8.535 1.00 0.00 H new ATOM 125 N VAL A 7 -5.997 -6.944 5.652 1.00 0.00 N ATOM 126 CA VAL A 7 -7.203 -7.696 5.353 1.00 0.00 C ATOM 127 C VAL A 7 -7.898 -7.075 4.140 1.00 0.00 C ATOM 128 O VAL A 7 -8.272 -5.904 4.167 1.00 0.00 O ATOM 129 CB VAL A 7 -8.173 -7.727 6.550 1.00 0.00 C ATOM 130 CG1 VAL A 7 -9.447 -8.473 6.184 1.00 0.00 C ATOM 131 CG2 VAL A 7 -7.509 -8.370 7.758 1.00 0.00 C ATOM 0 H VAL A 7 -6.098 -6.254 6.396 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.914 -8.725 5.137 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.436 -6.701 6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.120 -8.485 7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.934 -7.973 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.201 -9.497 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.209 -8.383 8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.218 -9.391 7.512 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.624 -7.797 8.035 1.00 0.00 H new ATOM 141 N PRO A 8 -8.056 -7.912 3.080 1.00 0.00 N ATOM 142 CA PRO A 8 -8.403 -7.395 1.767 1.00 0.00 C ATOM 143 C PRO A 8 -9.901 -7.107 1.667 1.00 0.00 C ATOM 144 O PRO A 8 -10.372 -6.582 0.661 1.00 0.00 O ATOM 145 CB PRO A 8 -7.959 -8.502 0.804 1.00 0.00 C ATOM 146 CG PRO A 8 -7.988 -9.744 1.627 1.00 0.00 C ATOM 147 CD PRO A 8 -7.569 -9.318 3.008 1.00 0.00 C ATOM 0 HA PRO A 8 -7.920 -6.444 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.630 -8.577 -0.052 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.961 -8.309 0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.985 -10.185 1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.310 -10.497 1.226 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.021 -9.943 3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.489 -9.379 3.140 1.00 0.00 H new ATOM 155 N ILE A 9 -10.611 -7.464 2.728 1.00 0.00 N ATOM 156 CA ILE A 9 -12.052 -7.279 2.761 1.00 0.00 C ATOM 157 C ILE A 9 -12.391 -6.139 3.725 1.00 0.00 C ATOM 158 O ILE A 9 -13.524 -6.031 4.191 1.00 0.00 O ATOM 159 CB ILE A 9 -12.786 -8.561 3.191 1.00 0.00 C ATOM 160 CG1 ILE A 9 -12.346 -8.985 4.595 1.00 0.00 C ATOM 161 CG2 ILE A 9 -12.535 -9.679 2.190 1.00 0.00 C ATOM 162 CD1 ILE A 9 -13.222 -10.048 5.215 1.00 0.00 C ATOM 0 H ILE A 9 -10.215 -7.880 3.571 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.385 -7.033 1.753 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.856 -8.355 3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.321 -9.354 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.340 -8.109 5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.061 -10.578 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.897 -9.376 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.466 -9.885 2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.847 -10.295 6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.243 -9.676 5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.209 -10.941 4.590 1.00 0.00 H new ATOM 174 N ALA A 10 -11.388 -5.316 3.994 1.00 0.00 N ATOM 175 CA ALA A 10 -11.599 -4.112 4.781 1.00 0.00 C ATOM 176 C ALA A 10 -10.671 -3.007 4.272 1.00 0.00 C ATOM 177 O ALA A 10 -9.494 -3.251 4.010 1.00 0.00 O ATOM 178 CB ALA A 10 -11.374 -4.425 6.262 1.00 0.00 C ATOM 0 H ALA A 10 -10.428 -5.459 3.681 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.624 -3.758 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.532 -3.523 6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.076 -5.195 6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.354 -4.780 6.408 1.00 0.00 H new ATOM 184 N TYR A 11 -11.237 -1.814 4.147 1.00 0.00 N ATOM 185 CA TYR A 11 -10.504 -0.694 3.582 1.00 0.00 C ATOM 186 C TYR A 11 -10.305 0.409 4.622 1.00 0.00 C ATOM 187 O TYR A 11 -11.021 0.464 5.620 1.00 0.00 O ATOM 188 CB TYR A 11 -11.236 -0.142 2.358 1.00 0.00 C ATOM 189 CG TYR A 11 -12.627 0.373 2.655 1.00 0.00 C ATOM 190 CD1 TYR A 11 -12.838 1.702 2.992 1.00 0.00 C ATOM 191 CD2 TYR A 11 -13.726 -0.472 2.597 1.00 0.00 C ATOM 192 CE1 TYR A 11 -14.106 2.177 3.266 1.00 0.00 C ATOM 193 CE2 TYR A 11 -14.998 -0.007 2.868 1.00 0.00 C ATOM 194 CZ TYR A 11 -15.185 1.319 3.202 1.00 0.00 C ATOM 195 OH TYR A 11 -16.450 1.787 3.472 1.00 0.00 O ATOM 0 H TYR A 11 -12.194 -1.600 4.427 1.00 0.00 H new ATOM 0 HA TYR A 11 -9.522 -1.052 3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.645 0.666 1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.303 -0.926 1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.996 2.377 3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -13.584 -1.510 2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.252 3.214 3.529 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -15.843 -0.678 2.819 1.00 0.00 H new ATOM 0 HH TYR A 11 -17.096 1.055 3.381 1.00 0.00 H new ATOM 205 N LYS A 12 -9.327 1.262 4.354 1.00 0.00 N ATOM 206 CA LYS A 12 -9.151 2.469 5.140 1.00 0.00 C ATOM 207 C LYS A 12 -9.355 3.693 4.244 1.00 0.00 C ATOM 208 O LYS A 12 -9.008 3.666 3.064 1.00 0.00 O ATOM 209 CB LYS A 12 -7.766 2.499 5.789 1.00 0.00 C ATOM 210 CG LYS A 12 -7.496 1.346 6.748 1.00 0.00 C ATOM 211 CD LYS A 12 -6.039 1.319 7.184 1.00 0.00 C ATOM 212 CE LYS A 12 -5.742 2.420 8.194 1.00 0.00 C ATOM 213 NZ LYS A 12 -4.373 2.295 8.764 1.00 0.00 N ATOM 0 H LYS A 12 -8.648 1.140 3.602 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.891 2.483 5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.010 2.488 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.651 3.439 6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.138 1.441 7.624 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.751 0.402 6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.806 0.348 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.394 1.438 6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.848 3.392 7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.476 2.382 8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.210 3.062 9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.280 1.378 9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.671 2.357 7.999 1.00 0.00 H new ATOM 226 N THR A 13 -9.915 4.736 4.838 1.00 0.00 N ATOM 227 CA THR A 13 -9.996 6.023 4.169 1.00 0.00 C ATOM 228 C THR A 13 -8.667 6.772 4.292 1.00 0.00 C ATOM 229 O THR A 13 -8.119 6.894 5.387 1.00 0.00 O ATOM 230 CB THR A 13 -11.130 6.891 4.746 1.00 0.00 C ATOM 231 OG1 THR A 13 -12.378 6.197 4.618 1.00 0.00 O ATOM 232 CG2 THR A 13 -11.215 8.218 4.007 1.00 0.00 C ATOM 0 H THR A 13 -10.317 4.716 5.775 1.00 0.00 H new ATOM 0 HA THR A 13 -10.212 5.831 3.118 1.00 0.00 H new ATOM 0 HB THR A 13 -10.919 7.085 5.798 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.099 6.749 4.987 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.022 8.818 4.428 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.272 8.754 4.112 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.413 8.034 2.951 1.00 0.00 H new ATOM 240 N CYS A 14 -8.187 7.251 3.155 1.00 0.00 N ATOM 241 CA CYS A 14 -6.882 7.889 3.102 1.00 0.00 C ATOM 242 C CYS A 14 -6.975 9.238 3.814 1.00 0.00 C ATOM 243 O CYS A 14 -8.035 9.861 3.834 1.00 0.00 O ATOM 244 CB CYS A 14 -6.637 8.068 1.604 1.00 0.00 C ATOM 245 SG CYS A 14 -6.438 6.521 0.685 1.00 0.00 S ATOM 0 H CYS A 14 -8.678 7.210 2.262 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.081 7.326 3.581 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.471 8.625 1.176 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.743 8.676 1.465 1.00 0.00 H new ATOM 250 N PRO A 15 -5.822 9.663 4.396 1.00 0.00 N ATOM 251 CA PRO A 15 -5.739 10.971 5.024 1.00 0.00 C ATOM 252 C PRO A 15 -5.771 12.086 3.978 1.00 0.00 C ATOM 253 O PRO A 15 -5.428 11.865 2.818 1.00 0.00 O ATOM 254 CB PRO A 15 -4.413 10.931 5.790 1.00 0.00 C ATOM 255 CG PRO A 15 -3.554 10.004 5.000 1.00 0.00 C ATOM 256 CD PRO A 15 -4.487 8.943 4.479 1.00 0.00 C ATOM 0 HA PRO A 15 -6.581 11.182 5.683 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.966 11.922 5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.554 10.570 6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.059 10.528 4.182 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.771 9.569 5.621 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.169 8.571 3.505 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.534 8.084 5.149 1.00 0.00 H new ATOM 264 N GLU A 16 -6.186 13.262 4.427 1.00 0.00 N ATOM 265 CA GLU A 16 -6.279 14.410 3.540 1.00 0.00 C ATOM 266 C GLU A 16 -4.927 14.681 2.878 1.00 0.00 C ATOM 267 O GLU A 16 -3.902 14.737 3.556 1.00 0.00 O ATOM 268 CB GLU A 16 -6.758 15.645 4.308 1.00 0.00 C ATOM 269 CG GLU A 16 -6.922 16.892 3.452 1.00 0.00 C ATOM 270 CD GLU A 16 -7.439 18.048 4.263 1.00 0.00 C ATOM 271 OE1 GLU A 16 -7.678 17.867 5.433 1.00 0.00 O ATOM 272 OE2 GLU A 16 -7.486 19.137 3.745 1.00 0.00 O ATOM 0 H GLU A 16 -6.461 13.445 5.392 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.008 14.187 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.713 15.416 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.049 15.858 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.964 17.158 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.609 16.685 2.632 1.00 0.00 H new ATOM 280 N GLY A 17 -4.969 14.844 1.565 1.00 0.00 N ATOM 281 CA GLY A 17 -3.768 15.160 0.812 1.00 0.00 C ATOM 282 C GLY A 17 -3.157 13.899 0.197 1.00 0.00 C ATOM 283 O GLY A 17 -2.355 13.981 -0.734 1.00 0.00 O ATOM 0 H GLY A 17 -5.816 14.763 1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.006 15.874 0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.040 15.639 1.467 1.00 0.00 H new ATOM 287 N LYS A 18 -3.559 12.759 0.742 1.00 0.00 N ATOM 288 CA LYS A 18 -3.122 11.480 0.208 1.00 0.00 C ATOM 289 C LYS A 18 -4.173 10.957 -0.773 1.00 0.00 C ATOM 290 O LYS A 18 -5.365 11.215 -0.609 1.00 0.00 O ATOM 291 CB LYS A 18 -2.883 10.473 1.334 1.00 0.00 C ATOM 292 CG LYS A 18 -1.661 10.768 2.192 1.00 0.00 C ATOM 293 CD LYS A 18 -1.720 12.170 2.777 1.00 0.00 C ATOM 294 CE LYS A 18 -0.720 12.342 3.911 1.00 0.00 C ATOM 295 NZ LYS A 18 0.672 12.048 3.474 1.00 0.00 N ATOM 0 H LYS A 18 -4.182 12.695 1.547 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.177 11.617 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.764 10.447 1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.776 9.479 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.596 10.038 2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.758 10.660 1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.515 12.901 1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.727 12.370 3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.773 13.363 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.989 11.681 4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.337 12.322 4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.768 11.031 3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.886 12.586 2.610 1.00 0.00 H new ATOM 308 N ASN A 19 -3.694 10.230 -1.772 1.00 0.00 N ATOM 309 CA ASN A 19 -4.540 9.841 -2.887 1.00 0.00 C ATOM 310 C ASN A 19 -4.297 8.367 -3.216 1.00 0.00 C ATOM 311 O ASN A 19 -5.243 7.592 -3.343 1.00 0.00 O ATOM 312 CB ASN A 19 -4.304 10.713 -4.107 1.00 0.00 C ATOM 313 CG ASN A 19 -5.208 10.393 -5.264 1.00 0.00 C ATOM 314 OD1 ASN A 19 -5.088 9.339 -5.898 1.00 0.00 O ATOM 315 ND2 ASN A 19 -6.057 11.332 -5.595 1.00 0.00 N ATOM 0 H ASN A 19 -2.731 9.900 -1.832 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.581 9.982 -2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.442 11.758 -3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.268 10.603 -4.426 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.658 11.212 -6.410 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.117 12.184 -5.038 1.00 0.00 H new ATOM 322 N LEU A 20 -3.023 8.024 -3.343 1.00 0.00 N ATOM 323 CA LEU A 20 -2.646 6.771 -3.976 1.00 0.00 C ATOM 324 C LEU A 20 -2.683 5.649 -2.937 1.00 0.00 C ATOM 325 O LEU A 20 -2.578 5.905 -1.737 1.00 0.00 O ATOM 326 CB LEU A 20 -1.255 6.886 -4.611 1.00 0.00 C ATOM 327 CG LEU A 20 -1.054 8.098 -5.530 1.00 0.00 C ATOM 328 CD1 LEU A 20 0.377 8.131 -6.048 1.00 0.00 C ATOM 329 CD2 LEU A 20 -2.043 8.030 -6.685 1.00 0.00 C ATOM 0 H LEU A 20 -2.240 8.591 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.354 6.540 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.512 6.927 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.059 5.980 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.233 9.014 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.508 8.995 -6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.067 8.202 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.582 7.219 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.900 8.891 -7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.878 7.114 -7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.060 8.036 -6.294 1.00 0.00 H new ATOM 341 N CYS A 21 -2.835 4.431 -3.434 1.00 0.00 N ATOM 342 CA CYS A 21 -2.840 3.264 -2.568 1.00 0.00 C ATOM 343 C CYS A 21 -1.525 2.508 -2.773 1.00 0.00 C ATOM 344 O CYS A 21 -1.143 2.214 -3.904 1.00 0.00 O ATOM 345 CB CYS A 21 -4.057 2.374 -2.827 1.00 0.00 C ATOM 346 SG CYS A 21 -5.673 3.172 -2.511 1.00 0.00 S ATOM 0 H CYS A 21 -2.956 4.226 -4.426 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.918 3.580 -1.528 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.030 2.038 -3.864 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.979 1.484 -2.202 1.00 0.00 H new ATOM 351 N TYR A 22 -0.870 2.214 -1.659 1.00 0.00 N ATOM 352 CA TYR A 22 0.423 1.553 -1.705 1.00 0.00 C ATOM 353 C TYR A 22 0.390 0.229 -0.936 1.00 0.00 C ATOM 354 O TYR A 22 -0.382 0.076 0.009 1.00 0.00 O ATOM 355 CB TYR A 22 1.510 2.469 -1.139 1.00 0.00 C ATOM 356 CG TYR A 22 1.531 2.533 0.373 1.00 0.00 C ATOM 357 CD1 TYR A 22 2.247 1.607 1.116 1.00 0.00 C ATOM 358 CD2 TYR A 22 0.836 3.523 1.052 1.00 0.00 C ATOM 359 CE1 TYR A 22 2.270 1.661 2.496 1.00 0.00 C ATOM 360 CE2 TYR A 22 0.852 3.588 2.431 1.00 0.00 C ATOM 361 CZ TYR A 22 1.571 2.654 3.150 1.00 0.00 C ATOM 362 OH TYR A 22 1.590 2.715 4.525 1.00 0.00 O ATOM 0 H TYR A 22 -1.210 2.421 -0.720 1.00 0.00 H new ATOM 0 HA TYR A 22 0.655 1.335 -2.747 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.482 2.124 -1.492 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.366 3.475 -1.534 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.797 0.829 0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.273 4.255 0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.832 0.930 3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.305 4.365 2.944 1.00 0.00 H new ATOM 0 HH TYR A 22 1.048 3.474 4.826 1.00 0.00 H new ATOM 372 N LYS A 23 1.238 -0.691 -1.370 1.00 0.00 N ATOM 373 CA LYS A 23 1.429 -1.934 -0.642 1.00 0.00 C ATOM 374 C LYS A 23 2.926 -2.198 -0.474 1.00 0.00 C ATOM 375 O LYS A 23 3.726 -1.823 -1.331 1.00 0.00 O ATOM 376 CB LYS A 23 0.752 -3.099 -1.366 1.00 0.00 C ATOM 377 CG LYS A 23 1.253 -3.335 -2.784 1.00 0.00 C ATOM 378 CD LYS A 23 0.639 -4.590 -3.387 1.00 0.00 C ATOM 379 CE LYS A 23 -0.877 -4.585 -3.253 1.00 0.00 C ATOM 380 NZ LYS A 23 -1.498 -5.765 -3.913 1.00 0.00 N ATOM 0 H LYS A 23 1.800 -0.601 -2.216 1.00 0.00 H new ATOM 0 HA LYS A 23 0.968 -1.844 0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.902 -4.009 -0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.322 -2.915 -1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.009 -2.474 -3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.339 -3.426 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.913 -4.661 -4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.047 -5.471 -2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.148 -4.576 -2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.277 -3.671 -3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.513 -5.589 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.043 -5.927 -4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.373 -6.605 -3.312 1.00 0.00 H new ATOM 393 N MET A 24 3.260 -2.845 0.633 1.00 0.00 N ATOM 394 CA MET A 24 4.653 -3.098 0.958 1.00 0.00 C ATOM 395 C MET A 24 4.971 -4.593 0.884 1.00 0.00 C ATOM 396 O MET A 24 4.185 -5.422 1.339 1.00 0.00 O ATOM 397 CB MET A 24 4.975 -2.553 2.349 1.00 0.00 C ATOM 398 CG MET A 24 4.823 -1.045 2.483 1.00 0.00 C ATOM 399 SD MET A 24 5.146 -0.460 4.159 1.00 0.00 S ATOM 400 CE MET A 24 6.834 -1.011 4.390 1.00 0.00 C ATOM 0 H MET A 24 2.591 -3.201 1.315 1.00 0.00 H new ATOM 0 HA MET A 24 5.275 -2.585 0.224 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.323 -3.038 3.076 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.998 -2.827 2.606 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.507 -0.552 1.792 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.813 -0.758 2.191 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.306 -0.418 5.173 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.837 -2.062 4.679 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.387 -0.889 3.459 1.00 0.00 H new ATOM 410 N PHE A 25 6.125 -4.892 0.305 1.00 0.00 N ATOM 411 CA PHE A 25 6.636 -6.252 0.314 1.00 0.00 C ATOM 412 C PHE A 25 7.946 -6.339 1.103 1.00 0.00 C ATOM 413 O PHE A 25 8.556 -5.317 1.415 1.00 0.00 O ATOM 414 CB PHE A 25 6.905 -6.640 -1.141 1.00 0.00 C ATOM 415 CG PHE A 25 5.652 -6.669 -2.020 1.00 0.00 C ATOM 416 CD1 PHE A 25 4.983 -7.838 -2.210 1.00 0.00 C ATOM 417 CD2 PHE A 25 5.208 -5.527 -2.608 1.00 0.00 C ATOM 418 CE1 PHE A 25 3.821 -7.865 -3.025 1.00 0.00 C ATOM 419 CE2 PHE A 25 4.045 -5.555 -3.423 1.00 0.00 C ATOM 420 CZ PHE A 25 3.377 -6.724 -3.613 1.00 0.00 C ATOM 0 H PHE A 25 6.720 -4.216 -0.173 1.00 0.00 H new ATOM 0 HA PHE A 25 5.913 -6.918 0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.619 -5.936 -1.568 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.375 -7.623 -1.163 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.336 -8.745 -1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.739 -4.599 -2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.290 -8.793 -3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.692 -4.648 -3.891 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.492 -6.745 -4.232 1.00 0.00 H new ATOM 430 N MET A 26 8.339 -7.569 1.401 1.00 0.00 N ATOM 431 CA MET A 26 9.700 -7.835 1.828 1.00 0.00 C ATOM 432 C MET A 26 10.432 -8.715 0.811 1.00 0.00 C ATOM 433 O MET A 26 9.832 -9.609 0.214 1.00 0.00 O ATOM 434 CB MET A 26 9.698 -8.498 3.204 1.00 0.00 C ATOM 435 CG MET A 26 9.120 -7.636 4.318 1.00 0.00 C ATOM 436 SD MET A 26 9.115 -8.474 5.916 1.00 0.00 S ATOM 437 CE MET A 26 8.395 -7.210 6.958 1.00 0.00 C ATOM 0 H MET A 26 7.738 -8.392 1.355 1.00 0.00 H new ATOM 0 HA MET A 26 10.231 -6.885 1.894 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.128 -9.425 3.146 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.721 -8.769 3.465 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.699 -6.716 4.397 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.100 -7.350 4.059 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.342 -7.572 7.985 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.013 -6.313 6.921 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.391 -6.974 6.604 1.00 0.00 H new ATOM 447 N MET A 27 11.715 -8.432 0.645 1.00 0.00 N ATOM 448 CA MET A 27 12.491 -9.067 -0.405 1.00 0.00 C ATOM 449 C MET A 27 12.276 -10.581 -0.407 1.00 0.00 C ATOM 450 O MET A 27 12.342 -11.220 -1.457 1.00 0.00 O ATOM 451 CB MET A 27 13.974 -8.738 -0.233 1.00 0.00 C ATOM 452 CG MET A 27 14.358 -7.326 -0.651 1.00 0.00 C ATOM 453 SD MET A 27 13.974 -6.985 -2.380 1.00 0.00 S ATOM 454 CE MET A 27 15.143 -8.060 -3.206 1.00 0.00 C ATOM 0 H MET A 27 12.237 -7.771 1.221 1.00 0.00 H new ATOM 0 HA MET A 27 12.152 -8.679 -1.365 1.00 0.00 H new ATOM 0 HB2 MET A 27 14.246 -8.881 0.813 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.561 -9.448 -0.815 1.00 0.00 H new ATOM 0 HG2 MET A 27 13.835 -6.609 -0.018 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.425 -7.179 -0.484 1.00 0.00 H new ATOM 0 HE1 MET A 27 15.206 -7.787 -4.259 1.00 0.00 H new ATOM 0 HE2 MET A 27 16.124 -7.954 -2.744 1.00 0.00 H new ATOM 0 HE3 MET A 27 14.811 -9.094 -3.118 1.00 0.00 H new ATOM 464 N SER A 28 12.024 -11.112 0.780 1.00 0.00 N ATOM 465 CA SER A 28 11.597 -12.495 0.905 1.00 0.00 C ATOM 466 C SER A 28 10.258 -12.698 0.194 1.00 0.00 C ATOM 467 O SER A 28 10.211 -13.247 -0.905 1.00 0.00 O ATOM 468 CB SER A 28 11.495 -12.884 2.367 1.00 0.00 C ATOM 469 OG SER A 28 11.079 -14.212 2.532 1.00 0.00 O ATOM 0 H SER A 28 12.107 -10.610 1.664 1.00 0.00 H new ATOM 0 HA SER A 28 12.339 -13.139 0.432 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.464 -12.746 2.847 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.793 -12.219 2.870 1.00 0.00 H new ATOM 0 HG SER A 28 11.028 -14.422 3.488 1.00 0.00 H new ATOM 475 N ASP A 29 9.201 -12.240 0.851 1.00 0.00 N ATOM 476 CA ASP A 29 7.855 -12.477 0.357 1.00 0.00 C ATOM 477 C ASP A 29 7.489 -11.390 -0.656 1.00 0.00 C ATOM 478 O ASP A 29 6.818 -10.417 -0.313 1.00 0.00 O ATOM 479 CB ASP A 29 6.848 -12.505 1.510 1.00 0.00 C ATOM 480 CG ASP A 29 5.437 -12.907 1.102 1.00 0.00 C ATOM 481 OD1 ASP A 29 5.246 -13.259 -0.037 1.00 0.00 O ATOM 482 OD2 ASP A 29 4.597 -13.010 1.965 1.00 0.00 O ATOM 0 H ASP A 29 9.250 -11.707 1.719 1.00 0.00 H new ATOM 0 HA ASP A 29 7.822 -13.450 -0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.205 -13.199 2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.813 -11.517 1.970 1.00 0.00 H new ATOM 488 N LEU A 30 7.946 -11.592 -1.883 1.00 0.00 N ATOM 489 CA LEU A 30 7.576 -10.706 -2.974 1.00 0.00 C ATOM 490 C LEU A 30 6.161 -11.051 -3.447 1.00 0.00 C ATOM 491 O LEU A 30 5.515 -10.248 -4.117 1.00 0.00 O ATOM 492 CB LEU A 30 8.583 -10.816 -4.125 1.00 0.00 C ATOM 493 CG LEU A 30 9.763 -9.837 -4.057 1.00 0.00 C ATOM 494 CD1 LEU A 30 9.831 -9.198 -2.676 1.00 0.00 C ATOM 495 CD2 LEU A 30 11.055 -10.576 -4.373 1.00 0.00 C ATOM 0 H LEU A 30 8.569 -12.356 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 30 7.590 -9.674 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.976 -11.833 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.055 -10.658 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 30 9.623 -9.045 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.671 -8.505 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.905 -8.657 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.965 -9.974 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.893 -9.881 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.204 -11.375 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.995 -11.002 -5.374 1.00 0.00 H new ATOM 507 N THR A 31 5.725 -12.248 -3.081 1.00 0.00 N ATOM 508 CA THR A 31 4.475 -12.778 -3.600 1.00 0.00 C ATOM 509 C THR A 31 3.285 -12.057 -2.962 1.00 0.00 C ATOM 510 O THR A 31 2.341 -11.679 -3.655 1.00 0.00 O ATOM 511 CB THR A 31 4.355 -14.292 -3.346 1.00 0.00 C ATOM 512 OG1 THR A 31 5.447 -14.974 -3.976 1.00 0.00 O ATOM 513 CG2 THR A 31 3.042 -14.822 -3.901 1.00 0.00 C ATOM 0 H THR A 31 6.214 -12.865 -2.432 1.00 0.00 H new ATOM 0 HA THR A 31 4.470 -12.609 -4.677 1.00 0.00 H new ATOM 0 HB THR A 31 4.381 -14.468 -2.271 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.370 -15.937 -3.812 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.974 -15.893 -3.713 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.210 -14.314 -3.414 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.000 -14.639 -4.975 1.00 0.00 H new ATOM 521 N ILE A 32 3.368 -11.890 -1.652 1.00 0.00 N ATOM 522 CA ILE A 32 2.261 -11.328 -0.897 1.00 0.00 C ATOM 523 C ILE A 32 2.759 -10.137 -0.076 1.00 0.00 C ATOM 524 O ILE A 32 3.703 -10.267 0.701 1.00 0.00 O ATOM 525 CB ILE A 32 1.615 -12.369 0.036 1.00 0.00 C ATOM 526 CG1 ILE A 32 0.960 -13.486 -0.782 1.00 0.00 C ATOM 527 CG2 ILE A 32 0.595 -11.706 0.948 1.00 0.00 C ATOM 528 CD1 ILE A 32 -0.186 -13.017 -1.649 1.00 0.00 C ATOM 0 H ILE A 32 4.185 -12.134 -1.093 1.00 0.00 H new ATOM 0 HA ILE A 32 1.500 -11.004 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 32 2.395 -12.809 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.716 -13.951 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.597 -14.256 -0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.148 -12.456 1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.088 -10.946 1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.184 -11.240 0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.598 -13.864 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.962 -12.579 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.174 -12.269 -2.355 1.00 0.00 H new ATOM 540 N PRO A 33 2.086 -8.973 -0.284 1.00 0.00 N ATOM 541 CA PRO A 33 2.431 -7.768 0.448 1.00 0.00 C ATOM 542 C PRO A 33 1.998 -7.873 1.911 1.00 0.00 C ATOM 543 O PRO A 33 1.112 -8.659 2.246 1.00 0.00 O ATOM 544 CB PRO A 33 1.692 -6.654 -0.299 1.00 0.00 C ATOM 545 CG PRO A 33 0.506 -7.332 -0.897 1.00 0.00 C ATOM 546 CD PRO A 33 0.977 -8.715 -1.258 1.00 0.00 C ATOM 0 HA PRO A 33 3.505 -7.585 0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.393 -5.853 0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.322 -6.205 -1.067 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.322 -7.371 -0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.149 -6.796 -1.777 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.178 -9.449 -1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.329 -8.763 -2.289 1.00 0.00 H new ATOM 554 N VAL A 34 2.639 -7.069 2.746 1.00 0.00 N ATOM 555 CA VAL A 34 2.612 -7.300 4.180 1.00 0.00 C ATOM 556 C VAL A 34 1.910 -6.127 4.867 1.00 0.00 C ATOM 557 O VAL A 34 1.416 -6.263 5.985 1.00 0.00 O ATOM 558 CB VAL A 34 4.028 -7.472 4.761 1.00 0.00 C ATOM 559 CG1 VAL A 34 4.737 -8.642 4.096 1.00 0.00 C ATOM 560 CG2 VAL A 34 4.834 -6.194 4.587 1.00 0.00 C ATOM 0 H VAL A 34 3.181 -6.255 2.456 1.00 0.00 H new ATOM 0 HA VAL A 34 2.067 -8.226 4.363 1.00 0.00 H new ATOM 0 HB VAL A 34 3.940 -7.682 5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.736 -8.750 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.170 -9.557 4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.814 -8.459 3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.832 -6.334 5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.913 -5.955 3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.335 -5.376 5.107 1.00 0.00 H new ATOM 570 N LYS A 35 1.889 -5.000 4.170 1.00 0.00 N ATOM 571 CA LYS A 35 1.226 -3.813 4.683 1.00 0.00 C ATOM 572 C LYS A 35 0.662 -3.004 3.514 1.00 0.00 C ATOM 573 O LYS A 35 1.255 -2.963 2.438 1.00 0.00 O ATOM 574 CB LYS A 35 2.191 -2.966 5.513 1.00 0.00 C ATOM 575 CG LYS A 35 2.559 -3.570 6.862 1.00 0.00 C ATOM 576 CD LYS A 35 3.224 -2.543 7.766 1.00 0.00 C ATOM 577 CE LYS A 35 2.200 -1.603 8.383 1.00 0.00 C ATOM 578 NZ LYS A 35 2.804 -0.727 9.423 1.00 0.00 N ATOM 0 H LYS A 35 2.321 -4.884 3.253 1.00 0.00 H new ATOM 0 HA LYS A 35 0.408 -4.116 5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.104 -2.809 4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.745 -1.985 5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.662 -3.957 7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.231 -4.415 6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.774 -3.054 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.950 -1.967 7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.757 -0.986 7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.392 -2.186 8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.073 -0.102 9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.204 -1.315 10.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.558 -0.151 8.997 1.00 0.00 H new ATOM 591 N ARG A 36 -0.478 -2.377 3.767 1.00 0.00 N ATOM 592 CA ARG A 36 -1.136 -1.580 2.745 1.00 0.00 C ATOM 593 C ARG A 36 -1.824 -0.369 3.379 1.00 0.00 C ATOM 594 O ARG A 36 -2.352 -0.459 4.485 1.00 0.00 O ATOM 595 CB ARG A 36 -2.097 -2.404 1.901 1.00 0.00 C ATOM 596 CG ARG A 36 -1.449 -3.524 1.103 1.00 0.00 C ATOM 597 CD ARG A 36 -1.555 -4.865 1.734 1.00 0.00 C ATOM 598 NE ARG A 36 -2.914 -5.372 1.846 1.00 0.00 N ATOM 599 CZ ARG A 36 -3.525 -6.132 0.918 1.00 0.00 C ATOM 600 NH1 ARG A 36 -2.922 -6.445 -0.207 1.00 0.00 N ATOM 601 NH2 ARG A 36 -4.761 -6.538 1.158 1.00 0.00 N ATOM 0 H ARG A 36 -0.962 -2.405 4.664 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.370 -1.216 2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.854 -2.835 2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.614 -1.738 1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.908 -3.563 0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.395 -3.287 0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.963 -5.573 1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.114 -4.820 2.730 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.441 -5.135 2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.975 -6.111 -0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.401 -7.022 -0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.225 -6.274 2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.250 -7.115 0.474 1.00 0.00 H new ATOM 614 N GLY A 37 -1.795 0.737 2.648 1.00 0.00 N ATOM 615 CA GLY A 37 -2.346 1.982 3.155 1.00 0.00 C ATOM 616 C GLY A 37 -2.422 3.037 2.050 1.00 0.00 C ATOM 617 O GLY A 37 -2.291 2.716 0.869 1.00 0.00 O ATOM 0 H GLY A 37 -1.399 0.796 1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.341 1.804 3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.728 2.351 3.973 1.00 0.00 H new ATOM 621 N CYS A 38 -2.634 4.275 2.469 1.00 0.00 N ATOM 622 CA CYS A 38 -2.727 5.381 1.531 1.00 0.00 C ATOM 623 C CYS A 38 -1.445 6.210 1.637 1.00 0.00 C ATOM 624 O CYS A 38 -0.782 6.204 2.673 1.00 0.00 O ATOM 625 CB CYS A 38 -3.977 6.228 1.776 1.00 0.00 C ATOM 626 SG CYS A 38 -5.522 5.271 1.996 1.00 0.00 S ATOM 0 H CYS A 38 -2.744 4.538 3.448 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.825 4.994 0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.816 6.840 2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.106 6.911 0.937 1.00 0.00 H new ATOM 631 N ILE A 39 -1.137 6.903 0.551 1.00 0.00 N ATOM 632 CA ILE A 39 -0.067 7.888 0.573 1.00 0.00 C ATOM 633 C ILE A 39 -0.249 8.857 -0.599 1.00 0.00 C ATOM 634 O ILE A 39 -0.964 8.554 -1.553 1.00 0.00 O ATOM 635 CB ILE A 39 1.322 7.227 0.492 1.00 0.00 C ATOM 636 CG1 ILE A 39 2.413 8.235 0.863 1.00 0.00 C ATOM 637 CG2 ILE A 39 1.563 6.664 -0.900 1.00 0.00 C ATOM 638 CD1 ILE A 39 3.710 7.595 1.306 1.00 0.00 C ATOM 0 H ILE A 39 -1.608 6.803 -0.348 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.121 8.426 1.519 1.00 0.00 H new ATOM 0 HB ILE A 39 1.357 6.403 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.610 8.876 0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.044 8.878 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.549 6.201 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.802 5.918 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.511 7.470 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.434 8.372 1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.529 6.976 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.103 6.975 0.501 1.00 0.00 H new ATOM 650 N ASP A 40 0.410 9.999 -0.487 1.00 0.00 N ATOM 651 CA ASP A 40 0.310 11.024 -1.513 1.00 0.00 C ATOM 652 C ASP A 40 1.387 10.784 -2.574 1.00 0.00 C ATOM 653 O ASP A 40 1.097 10.789 -3.768 1.00 0.00 O ATOM 654 CB ASP A 40 0.452 12.421 -0.905 1.00 0.00 C ATOM 655 CG ASP A 40 1.690 12.607 -0.037 1.00 0.00 C ATOM 656 OD1 ASP A 40 2.326 11.628 0.274 1.00 0.00 O ATOM 657 OD2 ASP A 40 2.079 13.732 0.175 1.00 0.00 O ATOM 0 H ASP A 40 1.016 10.239 0.298 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.674 10.966 -1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.475 13.154 -1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.433 12.635 -0.305 1.00 0.00 H new ATOM 663 N VAL A 41 2.606 10.578 -2.098 1.00 0.00 N ATOM 664 CA VAL A 41 3.731 10.363 -2.992 1.00 0.00 C ATOM 665 C VAL A 41 4.258 8.938 -2.806 1.00 0.00 C ATOM 666 O VAL A 41 4.529 8.513 -1.684 1.00 0.00 O ATOM 667 CB VAL A 41 4.865 11.374 -2.742 1.00 0.00 C ATOM 668 CG1 VAL A 41 6.027 11.116 -3.691 1.00 0.00 C ATOM 669 CG2 VAL A 41 4.354 12.798 -2.902 1.00 0.00 C ATOM 0 H VAL A 41 2.839 10.555 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 41 3.382 10.507 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 41 5.220 11.248 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.820 11.839 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.410 10.108 -3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.685 11.216 -4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.169 13.499 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.973 12.936 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.553 12.980 -2.185 1.00 0.00 H new ATOM 679 N CYS A 42 4.389 8.240 -3.924 1.00 0.00 N ATOM 680 CA CYS A 42 4.745 6.831 -3.891 1.00 0.00 C ATOM 681 C CYS A 42 6.201 6.716 -3.434 1.00 0.00 C ATOM 682 O CYS A 42 7.097 7.289 -4.053 1.00 0.00 O ATOM 683 CB CYS A 42 4.515 6.157 -5.243 1.00 0.00 C ATOM 684 SG CYS A 42 4.766 4.344 -5.249 1.00 0.00 S ATOM 0 H CYS A 42 4.255 8.624 -4.859 1.00 0.00 H new ATOM 0 HA CYS A 42 4.101 6.306 -3.186 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.498 6.370 -5.571 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.186 6.605 -5.976 1.00 0.00 H new ATOM 689 N PRO A 43 6.398 5.951 -2.328 1.00 0.00 N ATOM 690 CA PRO A 43 7.726 5.777 -1.763 1.00 0.00 C ATOM 691 C PRO A 43 8.601 4.918 -2.678 1.00 0.00 C ATOM 692 O PRO A 43 8.142 3.913 -3.219 1.00 0.00 O ATOM 693 CB PRO A 43 7.469 5.109 -0.409 1.00 0.00 C ATOM 694 CG PRO A 43 6.157 4.423 -0.576 1.00 0.00 C ATOM 695 CD PRO A 43 5.362 5.301 -1.504 1.00 0.00 C ATOM 0 HA PRO A 43 8.270 6.715 -1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.259 4.400 -0.159 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.434 5.843 0.396 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.286 3.425 -0.994 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.651 4.304 0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.670 4.720 -2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.767 6.032 -0.955 1.00 0.00 H new ATOM 703 N LYS A 44 9.848 5.344 -2.821 1.00 0.00 N ATOM 704 CA LYS A 44 10.788 4.634 -3.674 1.00 0.00 C ATOM 705 C LYS A 44 11.150 3.297 -3.024 1.00 0.00 C ATOM 706 O LYS A 44 11.039 3.144 -1.808 1.00 0.00 O ATOM 707 CB LYS A 44 12.042 5.473 -3.921 1.00 0.00 C ATOM 708 CG LYS A 44 11.801 6.741 -4.731 1.00 0.00 C ATOM 709 CD LYS A 44 13.091 7.522 -4.931 1.00 0.00 C ATOM 710 CE LYS A 44 12.861 8.763 -5.781 1.00 0.00 C ATOM 711 NZ LYS A 44 14.114 9.540 -5.983 1.00 0.00 N ATOM 0 H LYS A 44 10.229 6.171 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 44 10.321 4.448 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.476 5.748 -2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.779 4.859 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.377 6.481 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.069 7.368 -4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.496 7.813 -3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.834 6.884 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.456 8.469 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.114 9.397 -5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.913 10.377 -6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.487 9.843 -5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.819 8.944 -6.463 1.00 0.00 H new ATOM 724 N ASN A 45 11.575 2.363 -3.863 1.00 0.00 N ATOM 725 CA ASN A 45 11.835 1.008 -3.406 1.00 0.00 C ATOM 726 C ASN A 45 13.125 0.990 -2.584 1.00 0.00 C ATOM 727 O ASN A 45 14.080 1.694 -2.907 1.00 0.00 O ATOM 728 CB ASN A 45 11.916 0.028 -4.561 1.00 0.00 C ATOM 729 CG ASN A 45 10.612 -0.163 -5.286 1.00 0.00 C ATOM 730 OD1 ASN A 45 9.530 0.048 -4.726 1.00 0.00 O ATOM 731 ND2 ASN A 45 10.706 -0.638 -6.502 1.00 0.00 N ATOM 0 H ASN A 45 11.746 2.518 -4.857 1.00 0.00 H new ATOM 0 HA ASN A 45 11.001 0.689 -2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.667 0.377 -5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.256 -0.936 -4.184 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.862 -0.852 -7.033 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.624 -0.794 -6.919 1.00 0.00 H new ATOM 738 N SER A 46 13.109 0.180 -1.535 1.00 0.00 N ATOM 739 CA SER A 46 14.281 0.026 -0.693 1.00 0.00 C ATOM 740 C SER A 46 14.883 -1.369 -0.882 1.00 0.00 C ATOM 741 O SER A 46 14.334 -2.191 -1.615 1.00 0.00 O ATOM 742 CB SER A 46 13.919 0.264 0.761 1.00 0.00 C ATOM 743 OG SER A 46 13.047 -0.715 1.253 1.00 0.00 O ATOM 0 H SER A 46 12.303 -0.376 -1.250 1.00 0.00 H new ATOM 0 HA SER A 46 15.027 0.766 -0.984 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.827 0.276 1.363 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.456 1.246 0.863 1.00 0.00 H new ATOM 0 HG SER A 46 12.337 -0.880 0.598 1.00 0.00 H new ATOM 749 N LEU A 47 16.003 -1.592 -0.212 1.00 0.00 N ATOM 750 CA LEU A 47 16.723 -2.846 -0.353 1.00 0.00 C ATOM 751 C LEU A 47 15.994 -3.941 0.429 1.00 0.00 C ATOM 752 O LEU A 47 16.126 -5.124 0.120 1.00 0.00 O ATOM 753 CB LEU A 47 18.170 -2.692 0.132 1.00 0.00 C ATOM 754 CG LEU A 47 19.026 -1.703 -0.669 1.00 0.00 C ATOM 755 CD1 LEU A 47 20.392 -1.548 -0.017 1.00 0.00 C ATOM 756 CD2 LEU A 47 19.165 -2.194 -2.103 1.00 0.00 C ATOM 0 H LEU A 47 16.430 -0.925 0.431 1.00 0.00 H new ATOM 0 HA LEU A 47 16.756 -3.128 -1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 47 18.155 -2.373 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 47 18.651 -3.670 0.105 1.00 0.00 H new ATOM 0 HG LEU A 47 18.540 -0.727 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 47 20.992 -0.844 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.270 -1.174 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.894 -2.515 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 47 19.773 -1.490 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 47 19.643 -3.173 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.178 -2.270 -2.559 1.00 0.00 H new ATOM 768 N LEU A 48 15.239 -3.506 1.426 1.00 0.00 N ATOM 769 CA LEU A 48 14.617 -4.435 2.355 1.00 0.00 C ATOM 770 C LEU A 48 13.173 -4.695 1.921 1.00 0.00 C ATOM 771 O LEU A 48 12.745 -5.844 1.830 1.00 0.00 O ATOM 772 CB LEU A 48 14.672 -3.884 3.786 1.00 0.00 C ATOM 773 CG LEU A 48 16.083 -3.668 4.348 1.00 0.00 C ATOM 774 CD1 LEU A 48 16.001 -3.053 5.739 1.00 0.00 C ATOM 775 CD2 LEU A 48 16.824 -4.997 4.388 1.00 0.00 C ATOM 0 H LEU A 48 15.043 -2.522 1.612 1.00 0.00 H new ATOM 0 HA LEU A 48 15.164 -5.378 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.138 -2.934 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.137 -4.570 4.443 1.00 0.00 H new ATOM 0 HG LEU A 48 16.631 -2.981 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.007 -2.903 6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.487 -2.094 5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.450 -3.722 6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.826 -4.843 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.283 -5.696 5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.894 -5.405 3.380 1.00 0.00 H new ATOM 787 N VAL A 49 12.462 -3.605 1.667 1.00 0.00 N ATOM 788 CA VAL A 49 11.047 -3.694 1.346 1.00 0.00 C ATOM 789 C VAL A 49 10.788 -3.000 0.007 1.00 0.00 C ATOM 790 O VAL A 49 11.435 -2.005 -0.315 1.00 0.00 O ATOM 791 CB VAL A 49 10.169 -3.057 2.441 1.00 0.00 C ATOM 792 CG1 VAL A 49 10.285 -3.841 3.739 1.00 0.00 C ATOM 793 CG2 VAL A 49 10.561 -1.604 2.660 1.00 0.00 C ATOM 0 H VAL A 49 12.839 -2.657 1.677 1.00 0.00 H new ATOM 0 HA VAL A 49 10.780 -4.749 1.282 1.00 0.00 H new ATOM 0 HB VAL A 49 9.131 -3.088 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.659 -3.377 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.957 -4.867 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.323 -3.841 4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.931 -1.170 3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.605 -1.551 2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.428 -1.048 1.732 1.00 0.00 H new ATOM 803 N LYS A 50 9.838 -3.550 -0.733 1.00 0.00 N ATOM 804 CA LYS A 50 9.472 -2.986 -2.021 1.00 0.00 C ATOM 805 C LYS A 50 8.123 -2.273 -1.898 1.00 0.00 C ATOM 806 O LYS A 50 7.256 -2.706 -1.139 1.00 0.00 O ATOM 807 CB LYS A 50 9.414 -4.073 -3.095 1.00 0.00 C ATOM 808 CG LYS A 50 9.012 -3.571 -4.477 1.00 0.00 C ATOM 809 CD LYS A 50 8.934 -4.714 -5.479 1.00 0.00 C ATOM 810 CE LYS A 50 8.496 -4.220 -6.849 1.00 0.00 C ATOM 811 NZ LYS A 50 8.330 -5.338 -7.817 1.00 0.00 N ATOM 0 H LYS A 50 9.310 -4.381 -0.466 1.00 0.00 H new ATOM 0 HA LYS A 50 10.232 -2.265 -2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.392 -4.550 -3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.707 -4.840 -2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.046 -3.070 -4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.734 -2.831 -4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.908 -5.197 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.233 -5.467 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.555 -3.679 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.233 -3.514 -7.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.031 -4.958 -8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.234 -5.840 -7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.608 -5.999 -7.464 1.00 0.00 H new ATOM 824 N TYR A 51 7.987 -1.193 -2.653 1.00 0.00 N ATOM 825 CA TYR A 51 6.774 -0.398 -2.610 1.00 0.00 C ATOM 826 C TYR A 51 6.063 -0.405 -3.964 1.00 0.00 C ATOM 827 O TYR A 51 6.676 -0.121 -4.992 1.00 0.00 O ATOM 828 CB TYR A 51 7.095 1.037 -2.185 1.00 0.00 C ATOM 829 CG TYR A 51 7.661 1.152 -0.788 1.00 0.00 C ATOM 830 CD1 TYR A 51 9.032 1.169 -0.574 1.00 0.00 C ATOM 831 CD2 TYR A 51 6.824 1.244 0.313 1.00 0.00 C ATOM 832 CE1 TYR A 51 9.555 1.272 0.700 1.00 0.00 C ATOM 833 CE2 TYR A 51 7.335 1.349 1.593 1.00 0.00 C ATOM 834 CZ TYR A 51 8.702 1.363 1.782 1.00 0.00 C ATOM 835 OH TYR A 51 9.217 1.468 3.053 1.00 0.00 O ATOM 0 H TYR A 51 8.699 -0.850 -3.299 1.00 0.00 H new ATOM 0 HA TYR A 51 6.104 -0.842 -1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.808 1.463 -2.891 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.186 1.636 -2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.702 1.100 -1.419 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.754 1.233 0.168 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.625 1.281 0.849 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.669 1.420 2.440 1.00 0.00 H new ATOM 0 HH TYR A 51 8.483 1.524 3.700 1.00 0.00 H new ATOM 845 N VAL A 52 4.781 -0.734 -3.922 1.00 0.00 N ATOM 846 CA VAL A 52 3.947 -0.652 -5.109 1.00 0.00 C ATOM 847 C VAL A 52 2.736 0.235 -4.816 1.00 0.00 C ATOM 848 O VAL A 52 2.052 0.046 -3.812 1.00 0.00 O ATOM 849 CB VAL A 52 3.472 -2.041 -5.577 1.00 0.00 C ATOM 850 CG1 VAL A 52 2.644 -1.921 -6.847 1.00 0.00 C ATOM 851 CG2 VAL A 52 4.661 -2.961 -5.804 1.00 0.00 C ATOM 0 H VAL A 52 4.299 -1.058 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 52 4.546 -0.222 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 52 2.846 -2.472 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.317 -2.912 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.772 -1.295 -6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.248 -1.470 -7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.307 -3.938 -6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.311 -2.534 -6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.218 -3.072 -4.874 1.00 0.00 H new ATOM 861 N CYS A 53 2.507 1.185 -5.713 1.00 0.00 N ATOM 862 CA CYS A 53 1.401 2.113 -5.551 1.00 0.00 C ATOM 863 C CYS A 53 0.491 1.991 -6.775 1.00 0.00 C ATOM 864 O CYS A 53 0.916 1.506 -7.823 1.00 0.00 O ATOM 865 CB CYS A 53 1.892 3.548 -5.346 1.00 0.00 C ATOM 866 SG CYS A 53 3.220 3.732 -4.100 1.00 0.00 S ATOM 0 H CYS A 53 3.068 1.331 -6.552 1.00 0.00 H new ATOM 0 HA CYS A 53 0.838 1.860 -4.653 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.251 3.934 -6.300 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.046 4.168 -5.050 1.00 0.00 H new ATOM 871 N CYS A 54 -0.744 2.442 -6.602 1.00 0.00 N ATOM 872 CA CYS A 54 -1.699 2.448 -7.697 1.00 0.00 C ATOM 873 C CYS A 54 -2.783 3.481 -7.383 1.00 0.00 C ATOM 874 O CYS A 54 -3.104 3.716 -6.219 1.00 0.00 O ATOM 875 CB CYS A 54 -2.288 1.058 -7.941 1.00 0.00 C ATOM 876 SG CYS A 54 -2.811 0.169 -6.429 1.00 0.00 S ATOM 0 H CYS A 54 -1.104 2.806 -5.720 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.194 2.723 -8.623 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.148 1.154 -8.604 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.548 0.452 -8.464 1.00 0.00 H new ATOM 881 N ASN A 55 -3.316 4.072 -8.442 1.00 0.00 N ATOM 882 CA ASN A 55 -4.024 5.335 -8.317 1.00 0.00 C ATOM 883 C ASN A 55 -5.530 5.083 -8.422 1.00 0.00 C ATOM 884 O ASN A 55 -6.267 5.918 -8.943 1.00 0.00 O ATOM 885 CB ASN A 55 -3.570 6.341 -9.358 1.00 0.00 C ATOM 886 CG ASN A 55 -3.816 5.899 -10.774 1.00 0.00 C ATOM 887 OD1 ASN A 55 -4.164 4.742 -11.033 1.00 0.00 O ATOM 888 ND2 ASN A 55 -3.557 6.792 -11.696 1.00 0.00 N ATOM 0 H ASN A 55 -3.272 3.700 -9.391 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.795 5.765 -7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.086 7.286 -9.187 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.505 6.531 -9.226 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.639 6.545 -12.682 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.273 7.734 -11.428 1.00 0.00 H new ATOM 895 N THR A 56 -5.942 3.930 -7.915 1.00 0.00 N ATOM 896 CA THR A 56 -7.356 3.600 -7.859 1.00 0.00 C ATOM 897 C THR A 56 -7.711 3.013 -6.492 1.00 0.00 C ATOM 898 O THR A 56 -6.827 2.723 -5.686 1.00 0.00 O ATOM 899 CB THR A 56 -7.749 2.603 -8.964 1.00 0.00 C ATOM 900 OG1 THR A 56 -6.943 1.422 -8.855 1.00 0.00 O ATOM 901 CG2 THR A 56 -7.549 3.223 -10.338 1.00 0.00 C ATOM 0 H THR A 56 -5.321 3.213 -7.539 1.00 0.00 H new ATOM 0 HA THR A 56 -7.913 4.523 -8.017 1.00 0.00 H new ATOM 0 HB THR A 56 -8.801 2.346 -8.842 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.195 0.788 -9.558 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.832 2.504 -11.106 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.170 4.114 -10.429 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.501 3.496 -10.465 1.00 0.00 H new ATOM 909 N ASP A 57 -9.007 2.855 -6.270 1.00 0.00 N ATOM 910 CA ASP A 57 -9.505 2.489 -4.954 1.00 0.00 C ATOM 911 C ASP A 57 -9.351 0.980 -4.758 1.00 0.00 C ATOM 912 O ASP A 57 -9.628 0.200 -5.669 1.00 0.00 O ATOM 913 CB ASP A 57 -10.966 2.912 -4.785 1.00 0.00 C ATOM 914 CG ASP A 57 -11.174 4.413 -4.642 1.00 0.00 C ATOM 915 OD1 ASP A 57 -10.566 4.998 -3.777 1.00 0.00 O ATOM 916 OD2 ASP A 57 -11.813 4.988 -5.492 1.00 0.00 O ATOM 0 H ASP A 57 -9.729 2.974 -6.980 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.923 3.011 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.535 2.559 -5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.376 2.415 -3.906 1.00 0.00 H new ATOM 922 N ARG A 58 -8.911 0.613 -3.564 1.00 0.00 N ATOM 923 CA ARG A 58 -8.857 -0.788 -3.185 1.00 0.00 C ATOM 924 C ARG A 58 -8.097 -1.597 -4.240 1.00 0.00 C ATOM 925 O ARG A 58 -8.437 -2.747 -4.508 1.00 0.00 O ATOM 926 CB ARG A 58 -10.239 -1.366 -2.914 1.00 0.00 C ATOM 927 CG ARG A 58 -11.015 -0.673 -1.806 1.00 0.00 C ATOM 928 CD ARG A 58 -12.241 -1.392 -1.376 1.00 0.00 C ATOM 929 NE ARG A 58 -11.998 -2.699 -0.786 1.00 0.00 N ATOM 930 CZ ARG A 58 -12.957 -3.606 -0.514 1.00 0.00 C ATOM 931 NH1 ARG A 58 -14.224 -3.340 -0.741 1.00 0.00 N ATOM 932 NH2 ARG A 58 -12.590 -4.763 0.009 1.00 0.00 N ATOM 0 H ARG A 58 -8.588 1.262 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.310 -0.857 -2.245 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.824 -1.318 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.133 -2.420 -2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.360 -0.548 -0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.293 0.326 -2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.774 -0.775 -0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.897 -1.513 -2.238 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.034 -2.947 -0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.494 -2.436 -1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.937 -4.038 -0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.605 -4.949 0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.292 -5.470 0.226 1.00 0.00 H new ATOM 945 N CYS A 59 -7.083 -0.959 -4.808 1.00 0.00 N ATOM 946 CA CYS A 59 -6.309 -1.582 -5.867 1.00 0.00 C ATOM 947 C CYS A 59 -5.204 -2.423 -5.223 1.00 0.00 C ATOM 948 O CYS A 59 -4.782 -3.433 -5.784 1.00 0.00 O ATOM 949 CB CYS A 59 -5.743 -0.545 -6.839 1.00 0.00 C ATOM 950 SG CYS A 59 -4.714 0.754 -6.061 1.00 0.00 S ATOM 0 H CYS A 59 -6.781 -0.018 -4.555 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.955 -2.227 -6.462 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.146 -1.060 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.572 -0.068 -7.362 1.00 0.00 H new ATOM 955 N ASN A 60 -4.771 -1.977 -4.054 1.00 0.00 N ATOM 956 CA ASN A 60 -3.691 -2.649 -3.351 1.00 0.00 C ATOM 957 C ASN A 60 -4.280 -3.620 -2.327 1.00 0.00 C ATOM 958 O ASN A 60 -5.218 -4.357 -2.633 1.00 0.00 O ATOM 959 CB ASN A 60 -2.814 -1.644 -2.600 1.00 0.00 C ATOM 960 CG ASN A 60 -3.582 -1.002 -1.444 1.00 0.00 C ATOM 961 OD1 ASN A 60 -4.759 -1.249 -1.235 1.00 0.00 O ATOM 962 ND2 ASN A 60 -2.856 -0.168 -0.707 1.00 0.00 N ATOM 963 OXT ASN A 60 -3.828 -3.669 -1.216 1.00 0.00 O ATOM 0 H ASN A 60 -5.148 -1.159 -3.575 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.086 -3.176 -4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.926 -2.146 -2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.471 -0.871 -3.287 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.279 0.310 0.088 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.875 -0.006 -0.937 1.00 0.00 H new