USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.472 K(o=-0.47,f=-7.2!) USER MOD Single : A 5 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.282) 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+ -163:sc= 0.195 (180deg=0.041) USER MOD Single : A 19 ASN : amide:sc= -0.382 K(o=-0.38,f=-3.7!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0127) USER MOD Single : A 24 MET CE :methyl -133:sc= 0 (180deg=-1.02) USER MOD Single : A 26 MET CE :methyl -156:sc= 0 (180deg=-0.389) USER MOD Single : A 27 MET CE :methyl -164:sc= -0.0218 (180deg=-0.317) 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= 0.726 K(o=0.73,f=-3.4!) USER MOD Single : A 46 SER OG : rot -15:sc= 1.26 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= 0.0626 K(o=0.063,f=-3.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 60 ASN : amide:sc= -5.51! C(o=-5.5!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 40 N LYS A 2 -6.850 4.880 -3.335 1.00 0.00 N ATOM 41 CA LYS A 2 -7.335 3.689 -2.657 1.00 0.00 C ATOM 42 C LYS A 2 -6.328 2.555 -2.848 1.00 0.00 C ATOM 43 O LYS A 2 -5.794 2.370 -3.941 1.00 0.00 O ATOM 44 CB LYS A 2 -8.713 3.285 -3.183 1.00 0.00 C ATOM 45 CG LYS A 2 -9.766 4.382 -3.094 1.00 0.00 C ATOM 46 CD LYS A 2 -11.104 3.909 -3.645 1.00 0.00 C ATOM 47 CE LYS A 2 -12.114 5.046 -3.698 1.00 0.00 C ATOM 48 NZ LYS A 2 -13.410 4.612 -4.285 1.00 0.00 N ATOM 0 HA LYS A 2 -7.439 3.901 -1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.615 2.976 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.062 2.417 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.886 4.690 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.430 5.258 -3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.963 3.498 -4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.492 3.104 -3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.282 5.429 -2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.706 5.867 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.070 5.416 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.255 4.270 -5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.813 3.846 -3.708 1.00 0.00 H new ATOM 62 N CYS A 3 -6.096 1.824 -1.766 1.00 0.00 N ATOM 63 CA CYS A 3 -5.141 0.731 -1.794 1.00 0.00 C ATOM 64 C CYS A 3 -5.868 -0.553 -1.387 1.00 0.00 C ATOM 65 O CYS A 3 -6.879 -0.504 -0.689 1.00 0.00 O ATOM 66 CB CYS A 3 -4.107 1.139 -0.744 1.00 0.00 C ATOM 67 SG CYS A 3 -3.316 2.735 -1.053 1.00 0.00 S ATOM 0 H CYS A 3 -6.553 1.968 -0.866 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.684 0.550 -2.767 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.592 1.171 0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.337 0.370 -0.693 1.00 0.00 H new ATOM 73 N ASN A 4 -5.325 -1.673 -1.845 1.00 0.00 N ATOM 74 CA ASN A 4 -5.940 -2.964 -1.585 1.00 0.00 C ATOM 75 C ASN A 4 -5.395 -3.528 -0.271 1.00 0.00 C ATOM 76 O ASN A 4 -4.223 -3.338 0.053 1.00 0.00 O ATOM 77 CB ASN A 4 -5.713 -3.938 -2.726 1.00 0.00 C ATOM 78 CG ASN A 4 -6.244 -3.456 -4.047 1.00 0.00 C ATOM 79 OD1 ASN A 4 -7.285 -2.792 -4.116 1.00 0.00 O ATOM 80 ND2 ASN A 4 -5.580 -3.855 -5.101 1.00 0.00 N ATOM 0 H ASN A 4 -4.466 -1.712 -2.394 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.017 -2.822 -1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.644 -4.129 -2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.186 -4.889 -2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.916 -3.620 -6.035 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.726 -4.401 -4.989 1.00 0.00 H new ATOM 87 N LYS A 5 -6.272 -4.209 0.453 1.00 0.00 N ATOM 88 CA LYS A 5 -5.861 -4.916 1.653 1.00 0.00 C ATOM 89 C LYS A 5 -6.532 -6.293 1.683 1.00 0.00 C ATOM 90 O LYS A 5 -5.939 -7.282 1.256 1.00 0.00 O ATOM 91 CB LYS A 5 -6.214 -4.114 2.906 1.00 0.00 C ATOM 92 CG LYS A 5 -5.542 -2.749 2.990 1.00 0.00 C ATOM 93 CD LYS A 5 -5.711 -2.134 4.371 1.00 0.00 C ATOM 94 CE LYS A 5 -5.262 -0.680 4.387 1.00 0.00 C ATOM 95 NZ LYS A 5 -5.257 -0.114 5.764 1.00 0.00 N ATOM 0 H LYS A 5 -7.265 -4.286 0.231 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.779 -5.044 1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.295 -3.976 2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.938 -4.696 3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.481 -2.849 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.969 -2.084 2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.756 -2.198 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.133 -2.704 5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.262 -0.605 3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.924 -0.089 3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.401 0.915 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.023 -0.546 6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.343 -0.315 6.219 1.00 0.00 H new ATOM 109 N LEU A 6 -7.753 -6.309 2.192 1.00 0.00 N ATOM 110 CA LEU A 6 -8.504 -7.548 2.294 1.00 0.00 C ATOM 111 C LEU A 6 -8.741 -8.115 0.891 1.00 0.00 C ATOM 112 O LEU A 6 -9.126 -7.383 -0.018 1.00 0.00 O ATOM 113 CB LEU A 6 -9.833 -7.317 3.024 1.00 0.00 C ATOM 114 CG LEU A 6 -10.706 -8.565 3.204 1.00 0.00 C ATOM 115 CD1 LEU A 6 -10.006 -9.565 4.115 1.00 0.00 C ATOM 116 CD2 LEU A 6 -12.056 -8.164 3.779 1.00 0.00 C ATOM 0 H LEU A 6 -8.242 -5.484 2.539 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.930 -8.270 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.621 -6.897 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -10.405 -6.569 2.475 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.865 -9.039 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.634 -10.448 4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.053 -9.856 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.829 -9.108 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.675 -9.052 3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.911 -7.681 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.550 -7.471 3.098 1.00 0.00 H new ATOM 128 N VAL A 7 -8.497 -9.410 0.763 1.00 0.00 N ATOM 129 CA VAL A 7 -8.672 -10.081 -0.514 1.00 0.00 C ATOM 130 C VAL A 7 -10.167 -10.208 -0.817 1.00 0.00 C ATOM 131 O VAL A 7 -10.988 -10.252 0.099 1.00 0.00 O ATOM 132 CB VAL A 7 -8.018 -11.476 -0.524 1.00 0.00 C ATOM 133 CG1 VAL A 7 -6.518 -11.362 -0.296 1.00 0.00 C ATOM 134 CG2 VAL A 7 -8.650 -12.369 0.533 1.00 0.00 C ATOM 0 H VAL A 7 -8.180 -10.013 1.522 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.181 -9.482 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.186 -11.928 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.072 -12.356 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.075 -10.757 -1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.331 -10.890 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.176 -13.350 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.513 -11.921 1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.715 -12.477 0.329 1.00 0.00 H new ATOM 144 N PRO A 8 -10.485 -10.265 -2.137 1.00 0.00 N ATOM 145 CA PRO A 8 -9.447 -10.286 -3.156 1.00 0.00 C ATOM 146 C PRO A 8 -9.043 -8.866 -3.556 1.00 0.00 C ATOM 147 O PRO A 8 -7.861 -8.578 -3.731 1.00 0.00 O ATOM 148 CB PRO A 8 -10.081 -11.059 -4.318 1.00 0.00 C ATOM 149 CG PRO A 8 -11.526 -10.701 -4.256 1.00 0.00 C ATOM 150 CD PRO A 8 -11.826 -10.501 -2.794 1.00 0.00 C ATOM 0 HA PRO A 8 -8.524 -10.755 -2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.641 -10.772 -5.273 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.933 -12.133 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.731 -9.795 -4.827 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.145 -11.492 -4.680 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.492 -9.652 -2.642 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.322 -11.375 -2.372 1.00 0.00 H new ATOM 158 N ILE A 9 -10.049 -8.014 -3.689 1.00 0.00 N ATOM 159 CA ILE A 9 -9.845 -6.701 -4.275 1.00 0.00 C ATOM 160 C ILE A 9 -10.116 -5.628 -3.217 1.00 0.00 C ATOM 161 O ILE A 9 -9.729 -4.472 -3.388 1.00 0.00 O ATOM 162 CB ILE A 9 -10.690 -6.540 -5.541 1.00 0.00 C ATOM 163 CG1 ILE A 9 -10.362 -7.634 -6.559 1.00 0.00 C ATOM 164 CG2 ILE A 9 -10.533 -5.139 -6.133 1.00 0.00 C ATOM 165 CD1 ILE A 9 -8.890 -7.579 -6.968 1.00 0.00 C ATOM 0 H ILE A 9 -11.008 -8.208 -3.401 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.809 -6.584 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.739 -6.656 -5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.588 -8.612 -6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.993 -7.516 -7.440 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.144 -5.053 -7.031 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.855 -4.397 -5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.487 -4.967 -6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.684 -8.367 -7.692 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.673 -6.609 -7.416 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.262 -7.721 -6.088 1.00 0.00 H new ATOM 177 N ALA A 10 -10.774 -6.049 -2.149 1.00 0.00 N ATOM 178 CA ALA A 10 -11.252 -5.110 -1.145 1.00 0.00 C ATOM 179 C ALA A 10 -10.167 -4.066 -0.875 1.00 0.00 C ATOM 180 O ALA A 10 -8.998 -4.409 -0.708 1.00 0.00 O ATOM 181 CB ALA A 10 -11.657 -5.873 0.117 1.00 0.00 C ATOM 0 H ALA A 10 -10.989 -7.027 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.136 -4.582 -1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.015 -5.169 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.450 -6.581 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.795 -6.414 0.508 1.00 0.00 H new ATOM 187 N TYR A 11 -10.595 -2.813 -0.836 1.00 0.00 N ATOM 188 CA TYR A 11 -9.659 -1.704 -0.749 1.00 0.00 C ATOM 189 C TYR A 11 -10.138 -0.658 0.258 1.00 0.00 C ATOM 190 O TYR A 11 -11.333 -0.556 0.533 1.00 0.00 O ATOM 191 CB TYR A 11 -9.622 -1.073 -2.143 1.00 0.00 C ATOM 192 CG TYR A 11 -11.003 -0.733 -2.708 1.00 0.00 C ATOM 193 CD1 TYR A 11 -11.674 -1.649 -3.492 1.00 0.00 C ATOM 194 CD2 TYR A 11 -11.576 0.491 -2.433 1.00 0.00 C ATOM 195 CE1 TYR A 11 -12.973 -1.326 -4.024 1.00 0.00 C ATOM 196 CE2 TYR A 11 -12.876 0.815 -2.965 1.00 0.00 C ATOM 197 CZ TYR A 11 -13.509 -0.112 -3.734 1.00 0.00 C ATOM 198 OH TYR A 11 -14.736 0.193 -4.236 1.00 0.00 O ATOM 0 H TYR A 11 -11.578 -2.541 -0.863 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.680 -2.054 -0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.023 -0.163 -2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.119 -1.756 -2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.225 -2.608 -3.707 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -11.050 1.207 -1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -13.509 -2.033 -4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.336 1.770 -2.758 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.994 1.093 -3.946 1.00 0.00 H new ATOM 208 N LYS A 12 -9.182 0.094 0.783 1.00 0.00 N ATOM 209 CA LYS A 12 -9.488 1.114 1.770 1.00 0.00 C ATOM 210 C LYS A 12 -8.984 2.469 1.271 1.00 0.00 C ATOM 211 O LYS A 12 -8.039 2.533 0.484 1.00 0.00 O ATOM 212 CB LYS A 12 -8.865 0.768 3.123 1.00 0.00 C ATOM 213 CG LYS A 12 -9.458 -0.464 3.792 1.00 0.00 C ATOM 214 CD LYS A 12 -9.019 -0.569 5.245 1.00 0.00 C ATOM 215 CE LYS A 12 -9.628 -1.790 5.922 1.00 0.00 C ATOM 216 NZ LYS A 12 -9.263 -1.868 7.362 1.00 0.00 N ATOM 0 H LYS A 12 -8.194 0.017 0.543 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.568 1.163 1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.795 0.613 2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.981 1.621 3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.546 -0.420 3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.149 -1.358 3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.932 -0.628 5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.315 0.332 5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.713 -1.755 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.291 -2.693 5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.698 -2.713 7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.229 -1.927 7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.607 -1.019 7.854 1.00 0.00 H new ATOM 230 N THR A 13 -9.635 3.520 1.750 1.00 0.00 N ATOM 231 CA THR A 13 -9.373 4.856 1.243 1.00 0.00 C ATOM 232 C THR A 13 -8.195 5.488 1.983 1.00 0.00 C ATOM 233 O THR A 13 -8.158 5.490 3.213 1.00 0.00 O ATOM 234 CB THR A 13 -10.609 5.765 1.376 1.00 0.00 C ATOM 235 OG1 THR A 13 -11.703 5.199 0.643 1.00 0.00 O ATOM 236 CG2 THR A 13 -10.309 7.156 0.839 1.00 0.00 C ATOM 0 H THR A 13 -10.343 3.473 2.483 1.00 0.00 H new ATOM 0 HA THR A 13 -9.129 4.759 0.185 1.00 0.00 H new ATOM 0 HB THR A 13 -10.872 5.843 2.431 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.489 5.778 0.730 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.194 7.784 0.941 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.486 7.594 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.032 7.088 -0.213 1.00 0.00 H new ATOM 244 N CYS A 14 -7.259 6.009 1.204 1.00 0.00 N ATOM 245 CA CYS A 14 -6.057 6.598 1.770 1.00 0.00 C ATOM 246 C CYS A 14 -6.448 7.887 2.494 1.00 0.00 C ATOM 247 O CYS A 14 -7.365 8.588 2.070 1.00 0.00 O ATOM 248 CB CYS A 14 -4.990 6.846 0.701 1.00 0.00 C ATOM 249 SG CYS A 14 -4.297 5.333 -0.058 1.00 0.00 S ATOM 0 H CYS A 14 -7.308 6.036 0.186 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.610 5.904 2.482 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.421 7.465 -0.086 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.176 7.418 1.146 1.00 0.00 H new ATOM 255 N PRO A 15 -5.715 8.168 3.606 1.00 0.00 N ATOM 256 CA PRO A 15 -5.949 9.380 4.371 1.00 0.00 C ATOM 257 C PRO A 15 -5.396 10.605 3.641 1.00 0.00 C ATOM 258 O PRO A 15 -4.472 10.487 2.837 1.00 0.00 O ATOM 259 CB PRO A 15 -5.233 9.124 5.701 1.00 0.00 C ATOM 260 CG PRO A 15 -4.101 8.221 5.346 1.00 0.00 C ATOM 261 CD PRO A 15 -4.623 7.343 4.240 1.00 0.00 C ATOM 0 HA PRO A 15 -7.008 9.595 4.516 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.876 10.053 6.145 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.899 8.659 6.428 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.232 8.791 5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.788 7.627 6.205 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.840 7.097 3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.009 6.400 4.627 1.00 0.00 H new ATOM 269 N GLU A 16 -5.982 11.754 3.948 1.00 0.00 N ATOM 270 CA GLU A 16 -5.576 12.994 3.313 1.00 0.00 C ATOM 271 C GLU A 16 -4.075 13.227 3.512 1.00 0.00 C ATOM 272 O GLU A 16 -3.560 13.052 4.615 1.00 0.00 O ATOM 273 CB GLU A 16 -6.382 14.169 3.869 1.00 0.00 C ATOM 274 CG GLU A 16 -6.052 15.513 3.235 1.00 0.00 C ATOM 275 CD GLU A 16 -6.917 16.608 3.795 1.00 0.00 C ATOM 276 OE1 GLU A 16 -7.746 16.319 4.625 1.00 0.00 O ATOM 277 OE2 GLU A 16 -6.677 17.749 3.477 1.00 0.00 O ATOM 0 H GLU A 16 -6.735 11.851 4.629 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.775 12.918 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.443 13.965 3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.210 14.236 4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.003 15.751 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.191 15.452 2.156 1.00 0.00 H new ATOM 285 N GLY A 17 -3.420 13.622 2.430 1.00 0.00 N ATOM 286 CA GLY A 17 -1.993 13.878 2.474 1.00 0.00 C ATOM 287 C GLY A 17 -1.202 12.686 1.933 1.00 0.00 C ATOM 288 O GLY A 17 -0.047 12.829 1.536 1.00 0.00 O ATOM 0 H GLY A 17 -3.853 13.771 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.762 14.768 1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.689 14.084 3.500 1.00 0.00 H new ATOM 292 N LYS A 18 -1.855 11.532 1.937 1.00 0.00 N ATOM 293 CA LYS A 18 -1.258 10.331 1.384 1.00 0.00 C ATOM 294 C LYS A 18 -1.796 10.102 -0.031 1.00 0.00 C ATOM 295 O LYS A 18 -2.927 10.479 -0.337 1.00 0.00 O ATOM 296 CB LYS A 18 -1.545 9.121 2.275 1.00 0.00 C ATOM 297 CG LYS A 18 -1.177 9.318 3.740 1.00 0.00 C ATOM 298 CD LYS A 18 0.283 9.718 3.895 1.00 0.00 C ATOM 299 CE LYS A 18 0.683 9.796 5.361 1.00 0.00 C ATOM 300 NZ LYS A 18 2.038 10.385 5.537 1.00 0.00 N ATOM 0 H LYS A 18 -2.794 11.405 2.316 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.176 10.459 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.606 8.879 2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.998 8.262 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.815 10.086 4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.364 8.396 4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.917 8.995 3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.450 10.684 3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.047 10.396 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.662 8.797 5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.392 10.163 6.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.684 9.987 4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.986 11.417 5.419 1.00 0.00 H new ATOM 314 N ASN A 19 -0.961 9.489 -0.856 1.00 0.00 N ATOM 315 CA ASN A 19 -1.233 9.423 -2.282 1.00 0.00 C ATOM 316 C ASN A 19 -0.969 8.000 -2.781 1.00 0.00 C ATOM 317 O ASN A 19 -1.808 7.411 -3.460 1.00 0.00 O ATOM 318 CB ASN A 19 -0.407 10.432 -3.060 1.00 0.00 C ATOM 319 CG ASN A 19 -0.699 10.444 -4.535 1.00 0.00 C ATOM 320 OD1 ASN A 19 -0.373 9.497 -5.259 1.00 0.00 O ATOM 321 ND2 ASN A 19 -1.237 11.544 -4.995 1.00 0.00 N ATOM 0 H ASN A 19 -0.096 9.034 -0.565 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.280 9.677 -2.448 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.589 11.427 -2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.651 10.215 -2.910 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.406 11.650 -5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.488 12.296 -4.353 1.00 0.00 H new ATOM 328 N LEU A 20 0.201 7.490 -2.427 1.00 0.00 N ATOM 329 CA LEU A 20 0.715 6.284 -3.055 1.00 0.00 C ATOM 330 C LEU A 20 0.179 5.061 -2.310 1.00 0.00 C ATOM 331 O LEU A 20 -0.179 5.149 -1.135 1.00 0.00 O ATOM 332 CB LEU A 20 2.248 6.293 -3.067 1.00 0.00 C ATOM 333 CG LEU A 20 2.890 7.561 -3.645 1.00 0.00 C ATOM 334 CD1 LEU A 20 4.407 7.468 -3.552 1.00 0.00 C ATOM 335 CD2 LEU A 20 2.447 7.743 -5.088 1.00 0.00 C ATOM 0 H LEU A 20 0.809 7.890 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 20 0.379 6.243 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.604 6.158 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.596 5.435 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 20 2.567 8.427 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.853 8.373 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.702 7.362 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.754 6.602 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.903 8.644 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.758 6.879 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.362 7.836 -5.126 1.00 0.00 H new ATOM 347 N CYS A 21 0.141 3.943 -3.023 1.00 0.00 N ATOM 348 CA CYS A 21 -0.243 2.680 -2.414 1.00 0.00 C ATOM 349 C CYS A 21 0.997 1.786 -2.342 1.00 0.00 C ATOM 350 O CYS A 21 1.627 1.512 -3.363 1.00 0.00 O ATOM 351 CB CYS A 21 -1.387 2.010 -3.178 1.00 0.00 C ATOM 352 SG CYS A 21 -2.999 2.862 -3.043 1.00 0.00 S ATOM 0 H CYS A 21 0.370 3.886 -4.015 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.621 2.857 -1.407 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.113 1.945 -4.231 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.500 0.989 -2.814 1.00 0.00 H new ATOM 358 N TYR A 22 1.309 1.355 -1.130 1.00 0.00 N ATOM 359 CA TYR A 22 2.497 0.551 -0.902 1.00 0.00 C ATOM 360 C TYR A 22 2.123 -0.854 -0.421 1.00 0.00 C ATOM 361 O TYR A 22 1.046 -1.054 0.140 1.00 0.00 O ATOM 362 CB TYR A 22 3.415 1.232 0.115 1.00 0.00 C ATOM 363 CG TYR A 22 2.921 1.146 1.541 1.00 0.00 C ATOM 364 CD1 TYR A 22 3.239 0.057 2.340 1.00 0.00 C ATOM 365 CD2 TYR A 22 2.141 2.155 2.087 1.00 0.00 C ATOM 366 CE1 TYR A 22 2.790 -0.027 3.644 1.00 0.00 C ATOM 367 CE2 TYR A 22 1.688 2.083 3.389 1.00 0.00 C ATOM 368 CZ TYR A 22 2.015 0.988 4.165 1.00 0.00 C ATOM 369 OH TYR A 22 1.566 0.911 5.464 1.00 0.00 O ATOM 0 H TYR A 22 0.758 1.548 -0.293 1.00 0.00 H new ATOM 0 HA TYR A 22 3.029 0.457 -1.849 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.405 0.780 0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.527 2.281 -0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.848 -0.738 1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.884 3.012 1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.044 -0.883 4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.082 2.878 3.798 1.00 0.00 H new ATOM 0 HH TYR A 22 1.035 1.707 5.674 1.00 0.00 H new ATOM 379 N LYS A 23 3.032 -1.787 -0.658 1.00 0.00 N ATOM 380 CA LYS A 23 2.849 -3.147 -0.177 1.00 0.00 C ATOM 381 C LYS A 23 4.135 -3.615 0.509 1.00 0.00 C ATOM 382 O LYS A 23 5.231 -3.210 0.124 1.00 0.00 O ATOM 383 CB LYS A 23 2.474 -4.086 -1.326 1.00 0.00 C ATOM 384 CG LYS A 23 3.488 -4.128 -2.461 1.00 0.00 C ATOM 385 CD LYS A 23 3.128 -5.193 -3.486 1.00 0.00 C ATOM 386 CE LYS A 23 1.684 -5.055 -3.945 1.00 0.00 C ATOM 387 NZ LYS A 23 1.344 -6.035 -5.013 1.00 0.00 N ATOM 0 H LYS A 23 3.897 -1.630 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 23 2.030 -3.165 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.349 -5.094 -0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.509 -3.780 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.533 -3.153 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.480 -4.329 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.794 -5.113 -4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.281 -6.182 -3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.018 -5.199 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.516 -4.043 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.483 -5.725 -5.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.130 -6.095 -5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.182 -6.970 -4.587 1.00 0.00 H new ATOM 401 N MET A 24 3.958 -4.462 1.512 1.00 0.00 N ATOM 402 CA MET A 24 5.079 -4.913 2.319 1.00 0.00 C ATOM 403 C MET A 24 5.292 -6.420 2.168 1.00 0.00 C ATOM 404 O MET A 24 4.336 -7.195 2.225 1.00 0.00 O ATOM 405 CB MET A 24 4.848 -4.549 3.785 1.00 0.00 C ATOM 406 CG MET A 24 4.757 -3.054 4.056 1.00 0.00 C ATOM 407 SD MET A 24 4.571 -2.676 5.810 1.00 0.00 S ATOM 408 CE MET A 24 2.871 -3.164 6.083 1.00 0.00 C ATOM 0 H MET A 24 3.054 -4.848 1.785 1.00 0.00 H new ATOM 0 HA MET A 24 5.980 -4.411 1.968 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.927 -5.024 4.124 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.659 -4.965 4.382 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.654 -2.565 3.676 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.911 -2.640 3.507 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.353 -2.382 6.638 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.377 -3.316 5.123 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.846 -4.092 6.655 1.00 0.00 H new ATOM 418 N PHE A 25 6.548 -6.793 1.979 1.00 0.00 N ATOM 419 CA PHE A 25 6.911 -8.199 1.926 1.00 0.00 C ATOM 420 C PHE A 25 7.733 -8.598 3.155 1.00 0.00 C ATOM 421 O PHE A 25 8.195 -7.741 3.903 1.00 0.00 O ATOM 422 CB PHE A 25 7.765 -8.394 0.672 1.00 0.00 C ATOM 423 CG PHE A 25 7.044 -8.047 -0.632 1.00 0.00 C ATOM 424 CD1 PHE A 25 6.949 -6.751 -1.036 1.00 0.00 C ATOM 425 CD2 PHE A 25 6.497 -9.037 -1.389 1.00 0.00 C ATOM 426 CE1 PHE A 25 6.279 -6.431 -2.244 1.00 0.00 C ATOM 427 CE2 PHE A 25 5.827 -8.716 -2.601 1.00 0.00 C ATOM 428 CZ PHE A 25 5.732 -7.419 -3.002 1.00 0.00 C ATOM 0 H PHE A 25 7.328 -6.146 1.861 1.00 0.00 H new ATOM 0 HA PHE A 25 6.012 -8.815 1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.660 -7.778 0.755 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.095 -9.432 0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.384 -5.966 -0.436 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.572 -10.066 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.203 -5.402 -2.562 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.394 -9.501 -3.203 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.222 -7.174 -3.922 1.00 0.00 H new ATOM 438 N MET A 26 7.887 -9.905 3.322 1.00 0.00 N ATOM 439 CA MET A 26 8.884 -10.427 4.242 1.00 0.00 C ATOM 440 C MET A 26 9.930 -11.262 3.501 1.00 0.00 C ATOM 441 O MET A 26 9.601 -11.981 2.556 1.00 0.00 O ATOM 442 CB MET A 26 8.208 -11.259 5.330 1.00 0.00 C ATOM 443 CG MET A 26 7.258 -10.475 6.224 1.00 0.00 C ATOM 444 SD MET A 26 6.481 -11.505 7.485 1.00 0.00 S ATOM 445 CE MET A 26 5.502 -10.287 8.360 1.00 0.00 C ATOM 0 H MET A 26 7.339 -10.616 2.837 1.00 0.00 H new ATOM 0 HA MET A 26 9.396 -9.585 4.708 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.656 -12.071 4.858 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.978 -11.716 5.952 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.805 -9.666 6.708 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.485 -10.014 5.610 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.311 -10.635 9.375 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.044 -9.342 8.396 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.554 -10.142 7.842 1.00 0.00 H new ATOM 455 N MET A 27 11.168 -11.144 3.955 1.00 0.00 N ATOM 456 CA MET A 27 12.281 -11.779 3.274 1.00 0.00 C ATOM 457 C MET A 27 11.952 -13.234 2.928 1.00 0.00 C ATOM 458 O MET A 27 12.446 -13.767 1.935 1.00 0.00 O ATOM 459 CB MET A 27 13.538 -11.706 4.139 1.00 0.00 C ATOM 460 CG MET A 27 14.202 -10.337 4.171 1.00 0.00 C ATOM 461 SD MET A 27 14.769 -9.802 2.545 1.00 0.00 S ATOM 462 CE MET A 27 16.102 -10.961 2.253 1.00 0.00 C ATOM 0 H MET A 27 11.425 -10.616 4.789 1.00 0.00 H new ATOM 0 HA MET A 27 12.464 -11.244 2.342 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.280 -11.995 5.158 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.259 -12.437 3.773 1.00 0.00 H new ATOM 0 HG2 MET A 27 13.497 -9.605 4.565 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.049 -10.364 4.856 1.00 0.00 H new ATOM 0 HE1 MET A 27 16.730 -10.596 1.440 1.00 0.00 H new ATOM 0 HE2 MET A 27 16.702 -11.061 3.158 1.00 0.00 H new ATOM 0 HE3 MET A 27 15.687 -11.932 1.983 1.00 0.00 H new ATOM 472 N SER A 28 11.122 -13.835 3.766 1.00 0.00 N ATOM 473 CA SER A 28 10.585 -15.153 3.472 1.00 0.00 C ATOM 474 C SER A 28 9.796 -15.116 2.163 1.00 0.00 C ATOM 475 O SER A 28 10.276 -15.586 1.131 1.00 0.00 O ATOM 476 CB SER A 28 9.711 -15.632 4.615 1.00 0.00 C ATOM 477 OG SER A 28 9.164 -16.898 4.365 1.00 0.00 O ATOM 0 H SER A 28 10.807 -13.434 4.649 1.00 0.00 H new ATOM 0 HA SER A 28 11.410 -15.856 3.358 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.300 -15.667 5.531 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.906 -14.916 4.780 1.00 0.00 H new ATOM 0 HG SER A 28 8.609 -17.171 5.126 1.00 0.00 H new ATOM 483 N ASP A 29 8.599 -14.557 2.245 1.00 0.00 N ATOM 484 CA ASP A 29 7.697 -14.546 1.106 1.00 0.00 C ATOM 485 C ASP A 29 7.889 -13.250 0.317 1.00 0.00 C ATOM 486 O ASP A 29 7.177 -12.272 0.541 1.00 0.00 O ATOM 487 CB ASP A 29 6.242 -14.692 1.560 1.00 0.00 C ATOM 488 CG ASP A 29 5.241 -14.854 0.424 1.00 0.00 C ATOM 489 OD1 ASP A 29 5.658 -14.883 -0.709 1.00 0.00 O ATOM 490 OD2 ASP A 29 4.093 -15.106 0.703 1.00 0.00 O ATOM 0 H ASP A 29 8.232 -14.108 3.084 1.00 0.00 H new ATOM 0 HA ASP A 29 7.929 -15.395 0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.165 -15.555 2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.968 -13.816 2.147 1.00 0.00 H new ATOM 496 N LEU A 30 8.856 -13.282 -0.587 1.00 0.00 N ATOM 497 CA LEU A 30 9.096 -12.150 -1.467 1.00 0.00 C ATOM 498 C LEU A 30 8.051 -12.149 -2.585 1.00 0.00 C ATOM 499 O LEU A 30 7.801 -11.114 -3.204 1.00 0.00 O ATOM 500 CB LEU A 30 10.517 -12.207 -2.042 1.00 0.00 C ATOM 501 CG LEU A 30 11.586 -11.482 -1.214 1.00 0.00 C ATOM 502 CD1 LEU A 30 10.989 -10.999 0.100 1.00 0.00 C ATOM 503 CD2 LEU A 30 12.756 -12.422 -0.962 1.00 0.00 C ATOM 0 H LEU A 30 9.483 -14.074 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 30 9.007 -11.224 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.808 -13.252 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.504 -11.778 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 30 11.946 -10.613 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.755 -10.486 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.168 -10.312 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.616 -11.853 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.516 -11.908 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.407 -13.299 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.184 -12.734 -1.915 1.00 0.00 H new ATOM 515 N THR A 31 7.467 -13.316 -2.808 1.00 0.00 N ATOM 516 CA THR A 31 6.582 -13.505 -3.945 1.00 0.00 C ATOM 517 C THR A 31 5.251 -12.788 -3.711 1.00 0.00 C ATOM 518 O THR A 31 4.728 -12.133 -4.610 1.00 0.00 O ATOM 519 CB THR A 31 6.319 -14.998 -4.217 1.00 0.00 C ATOM 520 OG1 THR A 31 7.560 -15.664 -4.481 1.00 0.00 O ATOM 521 CG2 THR A 31 5.392 -15.168 -5.411 1.00 0.00 C ATOM 0 H THR A 31 7.589 -14.141 -2.221 1.00 0.00 H new ATOM 0 HA THR A 31 7.078 -13.079 -4.817 1.00 0.00 H new ATOM 0 HB THR A 31 5.845 -15.434 -3.338 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.391 -16.614 -4.652 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.218 -16.229 -5.588 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.442 -14.673 -5.208 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.851 -14.723 -6.294 1.00 0.00 H new ATOM 529 N ILE A 32 4.742 -12.936 -2.497 1.00 0.00 N ATOM 530 CA ILE A 32 3.440 -12.385 -2.158 1.00 0.00 C ATOM 531 C ILE A 32 3.580 -11.467 -0.941 1.00 0.00 C ATOM 532 O ILE A 32 4.086 -11.885 0.100 1.00 0.00 O ATOM 533 CB ILE A 32 2.416 -13.505 -1.968 1.00 0.00 C ATOM 534 CG1 ILE A 32 2.252 -14.320 -3.252 1.00 0.00 C ATOM 535 CG2 ILE A 32 1.082 -12.950 -1.465 1.00 0.00 C ATOM 536 CD1 ILE A 32 1.667 -13.461 -4.375 1.00 0.00 C ATOM 0 H ILE A 32 5.207 -13.430 -1.735 1.00 0.00 H new ATOM 0 HA ILE A 32 3.061 -11.774 -2.977 1.00 0.00 H new ATOM 0 HB ILE A 32 2.790 -14.184 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.219 -14.719 -3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.600 -15.173 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.372 -13.768 -1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.234 -12.450 -0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.688 -12.237 -2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.561 -14.064 -5.277 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.690 -13.084 -4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.333 -12.622 -4.576 1.00 0.00 H new ATOM 548 N PRO A 33 3.113 -10.202 -1.118 1.00 0.00 N ATOM 549 CA PRO A 33 3.124 -9.241 -0.028 1.00 0.00 C ATOM 550 C PRO A 33 2.119 -9.632 1.056 1.00 0.00 C ATOM 551 O PRO A 33 1.177 -10.376 0.796 1.00 0.00 O ATOM 552 CB PRO A 33 2.767 -7.913 -0.702 1.00 0.00 C ATOM 553 CG PRO A 33 1.955 -8.304 -1.889 1.00 0.00 C ATOM 554 CD PRO A 33 2.545 -9.605 -2.364 1.00 0.00 C ATOM 0 HA PRO A 33 4.084 -9.188 0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.202 -7.266 -0.030 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.662 -7.364 -0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.904 -8.422 -1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.004 -7.542 -2.667 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.788 -10.250 -2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.314 -9.445 -3.120 1.00 0.00 H new ATOM 562 N VAL A 34 2.356 -9.111 2.252 1.00 0.00 N ATOM 563 CA VAL A 34 1.679 -9.615 3.435 1.00 0.00 C ATOM 564 C VAL A 34 0.693 -8.562 3.941 1.00 0.00 C ATOM 565 O VAL A 34 -0.357 -8.900 4.487 1.00 0.00 O ATOM 566 CB VAL A 34 2.673 -9.979 4.553 1.00 0.00 C ATOM 567 CG1 VAL A 34 3.681 -11.005 4.058 1.00 0.00 C ATOM 568 CG2 VAL A 34 3.386 -8.734 5.058 1.00 0.00 C ATOM 0 H VAL A 34 3.007 -8.345 2.427 1.00 0.00 H new ATOM 0 HA VAL A 34 1.148 -10.525 3.158 1.00 0.00 H new ATOM 0 HB VAL A 34 2.114 -10.416 5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.375 -11.250 4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.157 -11.908 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.234 -10.594 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.085 -9.010 5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.932 -8.269 4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.653 -8.030 5.452 1.00 0.00 H new ATOM 578 N LYS A 35 1.065 -7.305 3.746 1.00 0.00 N ATOM 579 CA LYS A 35 0.209 -6.201 4.141 1.00 0.00 C ATOM 580 C LYS A 35 0.450 -5.014 3.206 1.00 0.00 C ATOM 581 O LYS A 35 1.551 -4.841 2.687 1.00 0.00 O ATOM 582 CB LYS A 35 0.466 -5.805 5.595 1.00 0.00 C ATOM 583 CG LYS A 35 -0.214 -6.702 6.621 1.00 0.00 C ATOM 584 CD LYS A 35 -0.298 -6.024 7.980 1.00 0.00 C ATOM 585 CE LYS A 35 -1.444 -5.025 8.032 1.00 0.00 C ATOM 586 NZ LYS A 35 -1.664 -4.501 9.408 1.00 0.00 N ATOM 0 H LYS A 35 1.949 -7.027 3.319 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.832 -6.513 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.541 -5.815 5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.127 -4.780 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.216 -6.956 6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.339 -7.637 6.712 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.434 -6.777 8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.641 -5.514 8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.233 -4.195 7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.357 -5.502 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.453 -3.824 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.891 -5.289 10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.802 -4.023 9.740 1.00 0.00 H new ATOM 600 N ARG A 36 -0.599 -4.227 3.017 1.00 0.00 N ATOM 601 CA ARG A 36 -0.496 -3.022 2.210 1.00 0.00 C ATOM 602 C ARG A 36 -1.196 -1.854 2.909 1.00 0.00 C ATOM 603 O ARG A 36 -1.868 -2.046 3.920 1.00 0.00 O ATOM 604 CB ARG A 36 -1.118 -3.229 0.829 1.00 0.00 C ATOM 605 CG ARG A 36 -0.463 -4.405 0.102 1.00 0.00 C ATOM 606 CD ARG A 36 -1.227 -5.704 0.363 1.00 0.00 C ATOM 607 NE ARG A 36 -2.390 -5.799 -0.547 1.00 0.00 N ATOM 608 CZ ARG A 36 -3.350 -6.744 -0.452 1.00 0.00 C ATOM 609 NH1 ARG A 36 -4.346 -6.734 -1.317 1.00 0.00 N ATOM 610 NH2 ARG A 36 -3.290 -7.687 0.513 1.00 0.00 N ATOM 0 H ARG A 36 -1.525 -4.400 3.409 1.00 0.00 H new ATOM 0 HA ARG A 36 0.563 -2.794 2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.188 -3.411 0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.005 -2.322 0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.434 -4.205 -0.969 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.570 -4.513 0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.568 -6.559 0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.562 -5.736 1.400 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.472 -5.108 -1.292 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.383 -6.019 -2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.079 -7.441 -1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.516 -7.689 1.177 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.019 -8.397 0.578 1.00 0.00 H new ATOM 624 N GLY A 37 -1.011 -0.672 2.343 1.00 0.00 N ATOM 625 CA GLY A 37 -1.613 0.528 2.900 1.00 0.00 C ATOM 626 C GLY A 37 -1.300 1.752 2.037 1.00 0.00 C ATOM 627 O GLY A 37 -0.818 1.616 0.913 1.00 0.00 O ATOM 0 H GLY A 37 -0.452 -0.518 1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.693 0.397 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.242 0.688 3.912 1.00 0.00 H new ATOM 631 N CYS A 38 -1.584 2.918 2.596 1.00 0.00 N ATOM 632 CA CYS A 38 -1.391 4.163 1.871 1.00 0.00 C ATOM 633 C CYS A 38 -0.225 4.916 2.514 1.00 0.00 C ATOM 634 O CYS A 38 0.007 4.799 3.716 1.00 0.00 O ATOM 635 CB CYS A 38 -2.711 4.902 2.081 1.00 0.00 C ATOM 636 SG CYS A 38 -4.169 4.021 1.471 1.00 0.00 S ATOM 0 H CYS A 38 -1.947 3.028 3.543 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.156 4.043 0.813 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.839 5.096 3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.653 5.871 1.585 1.00 0.00 H new ATOM 642 N ILE A 39 0.481 5.671 1.682 1.00 0.00 N ATOM 643 CA ILE A 39 1.505 6.574 2.178 1.00 0.00 C ATOM 644 C ILE A 39 1.792 7.642 1.123 1.00 0.00 C ATOM 645 O ILE A 39 1.460 7.466 -0.050 1.00 0.00 O ATOM 646 CB ILE A 39 2.804 5.829 2.531 1.00 0.00 C ATOM 647 CG1 ILE A 39 3.712 6.715 3.389 1.00 0.00 C ATOM 648 CG2 ILE A 39 3.527 5.388 1.267 1.00 0.00 C ATOM 649 CD1 ILE A 39 4.752 5.948 4.171 1.00 0.00 C ATOM 0 H ILE A 39 0.363 5.675 0.669 1.00 0.00 H new ATOM 0 HA ILE A 39 1.133 7.038 3.091 1.00 0.00 H new ATOM 0 HB ILE A 39 2.547 4.940 3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.215 7.436 2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.096 7.285 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.443 4.863 1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.883 4.722 0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.774 6.263 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.356 6.644 4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.258 5.246 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.394 5.400 3.482 1.00 0.00 H new ATOM 661 N ASP A 40 2.407 8.726 1.573 1.00 0.00 N ATOM 662 CA ASP A 40 2.747 9.820 0.681 1.00 0.00 C ATOM 663 C ASP A 40 4.130 9.569 0.075 1.00 0.00 C ATOM 664 O ASP A 40 4.315 9.707 -1.134 1.00 0.00 O ATOM 665 CB ASP A 40 2.716 11.159 1.423 1.00 0.00 C ATOM 666 CG ASP A 40 3.550 11.192 2.696 1.00 0.00 C ATOM 667 OD1 ASP A 40 3.965 10.147 3.139 1.00 0.00 O ATOM 668 OD2 ASP A 40 3.898 12.266 3.127 1.00 0.00 O ATOM 0 H ASP A 40 2.679 8.869 2.546 1.00 0.00 H new ATOM 0 HA ASP A 40 2.008 9.869 -0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.070 11.941 0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.682 11.398 1.674 1.00 0.00 H new ATOM 674 N VAL A 41 5.063 9.203 0.941 1.00 0.00 N ATOM 675 CA VAL A 41 6.428 8.956 0.510 1.00 0.00 C ATOM 676 C VAL A 41 6.753 7.473 0.690 1.00 0.00 C ATOM 677 O VAL A 41 6.545 6.912 1.763 1.00 0.00 O ATOM 678 CB VAL A 41 7.441 9.810 1.295 1.00 0.00 C ATOM 679 CG1 VAL A 41 8.859 9.520 0.825 1.00 0.00 C ATOM 680 CG2 VAL A 41 7.123 11.290 1.142 1.00 0.00 C ATOM 0 H VAL A 41 4.900 9.072 1.939 1.00 0.00 H new ATOM 0 HA VAL A 41 6.507 9.235 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 41 7.366 9.549 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.562 10.132 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.086 8.466 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.946 9.754 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.849 11.878 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.170 11.565 0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.122 11.488 1.525 1.00 0.00 H new ATOM 690 N CYS A 42 7.261 6.877 -0.382 1.00 0.00 N ATOM 691 CA CYS A 42 7.505 5.446 -0.397 1.00 0.00 C ATOM 692 C CYS A 42 8.666 5.146 0.554 1.00 0.00 C ATOM 693 O CYS A 42 9.760 5.681 0.391 1.00 0.00 O ATOM 694 CB CYS A 42 7.780 4.934 -1.812 1.00 0.00 C ATOM 695 SG CYS A 42 8.032 3.126 -1.938 1.00 0.00 S ATOM 0 H CYS A 42 7.509 7.361 -1.245 1.00 0.00 H new ATOM 0 HA CYS A 42 6.613 4.919 -0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.945 5.216 -2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.665 5.438 -2.200 1.00 0.00 H new ATOM 701 N PRO A 43 8.378 4.269 1.552 1.00 0.00 N ATOM 702 CA PRO A 43 9.381 3.903 2.539 1.00 0.00 C ATOM 703 C PRO A 43 10.483 3.049 1.908 1.00 0.00 C ATOM 704 O PRO A 43 10.205 2.178 1.085 1.00 0.00 O ATOM 705 CB PRO A 43 8.592 3.138 3.606 1.00 0.00 C ATOM 706 CG PRO A 43 7.402 2.609 2.880 1.00 0.00 C ATOM 707 CD PRO A 43 7.069 3.652 1.846 1.00 0.00 C ATOM 0 HA PRO A 43 9.899 4.764 2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.185 2.332 4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.298 3.791 4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.621 1.649 2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.566 2.449 3.560 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.625 3.208 0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.356 4.383 2.227 1.00 0.00 H new ATOM 715 N LYS A 44 11.712 3.327 2.320 1.00 0.00 N ATOM 716 CA LYS A 44 12.858 2.603 1.796 1.00 0.00 C ATOM 717 C LYS A 44 12.831 1.167 2.317 1.00 0.00 C ATOM 718 O LYS A 44 12.195 0.881 3.331 1.00 0.00 O ATOM 719 CB LYS A 44 14.165 3.297 2.186 1.00 0.00 C ATOM 720 CG LYS A 44 14.362 4.669 1.555 1.00 0.00 C ATOM 721 CD LYS A 44 15.673 5.300 2.000 1.00 0.00 C ATOM 722 CE LYS A 44 15.900 6.643 1.323 1.00 0.00 C ATOM 723 NZ LYS A 44 17.177 7.274 1.753 1.00 0.00 N ATOM 0 H LYS A 44 11.939 4.043 3.010 1.00 0.00 H new ATOM 0 HA LYS A 44 12.804 2.590 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.197 3.401 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.001 2.657 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.351 4.577 0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.532 5.320 1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.666 5.433 3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.499 4.629 1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.909 6.507 0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.070 7.311 1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.293 8.187 1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.159 7.427 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.972 6.649 1.510 1.00 0.00 H new ATOM 737 N ASN A 45 13.529 0.298 1.602 1.00 0.00 N ATOM 738 CA ASN A 45 13.486 -1.123 1.897 1.00 0.00 C ATOM 739 C ASN A 45 14.295 -1.401 3.167 1.00 0.00 C ATOM 740 O ASN A 45 15.306 -0.747 3.417 1.00 0.00 O ATOM 741 CB ASN A 45 13.998 -1.957 0.737 1.00 0.00 C ATOM 742 CG ASN A 45 13.121 -1.900 -0.482 1.00 0.00 C ATOM 743 OD1 ASN A 45 11.919 -1.623 -0.394 1.00 0.00 O ATOM 744 ND2 ASN A 45 13.694 -2.240 -1.608 1.00 0.00 N ATOM 0 H ASN A 45 14.129 0.552 0.817 1.00 0.00 H new ATOM 0 HA ASN A 45 12.447 -1.410 2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 45 14.998 -1.616 0.470 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.090 -2.994 1.059 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.145 -2.286 -2.466 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.690 -2.459 -1.628 1.00 0.00 H new ATOM 751 N SER A 46 13.819 -2.370 3.935 1.00 0.00 N ATOM 752 CA SER A 46 14.525 -2.790 5.133 1.00 0.00 C ATOM 753 C SER A 46 15.083 -4.202 4.943 1.00 0.00 C ATOM 754 O SER A 46 14.864 -4.827 3.909 1.00 0.00 O ATOM 755 CB SER A 46 13.602 -2.731 6.335 1.00 0.00 C ATOM 756 OG SER A 46 12.583 -3.688 6.264 1.00 0.00 O ATOM 0 H SER A 46 12.953 -2.876 3.751 1.00 0.00 H new ATOM 0 HA SER A 46 15.359 -2.111 5.312 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.182 -2.886 7.245 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.161 -1.737 6.404 1.00 0.00 H new ATOM 0 HG SER A 46 12.530 -4.042 5.352 1.00 0.00 H new ATOM 762 N LEU A 47 15.795 -4.664 5.963 1.00 0.00 N ATOM 763 CA LEU A 47 16.431 -5.969 5.900 1.00 0.00 C ATOM 764 C LEU A 47 15.368 -7.058 6.062 1.00 0.00 C ATOM 765 O LEU A 47 15.494 -8.141 5.493 1.00 0.00 O ATOM 766 CB LEU A 47 17.515 -6.092 6.979 1.00 0.00 C ATOM 767 CG LEU A 47 18.706 -5.138 6.821 1.00 0.00 C ATOM 768 CD1 LEU A 47 19.628 -5.249 8.028 1.00 0.00 C ATOM 769 CD2 LEU A 47 19.455 -5.469 5.538 1.00 0.00 C ATOM 0 H LEU A 47 15.945 -4.158 6.836 1.00 0.00 H new ATOM 0 HA LEU A 47 16.915 -6.090 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.057 -5.918 7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 47 17.888 -7.116 6.981 1.00 0.00 H new ATOM 0 HG LEU A 47 18.345 -4.111 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 47 20.470 -4.568 7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.077 -4.987 8.932 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.997 -6.271 8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 47 20.301 -4.791 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 47 19.816 -6.496 5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.785 -5.357 4.686 1.00 0.00 H new ATOM 781 N LEU A 48 14.347 -6.732 6.839 1.00 0.00 N ATOM 782 CA LEU A 48 13.362 -7.724 7.235 1.00 0.00 C ATOM 783 C LEU A 48 12.208 -7.721 6.230 1.00 0.00 C ATOM 784 O LEU A 48 11.787 -8.777 5.761 1.00 0.00 O ATOM 785 CB LEU A 48 12.855 -7.444 8.656 1.00 0.00 C ATOM 786 CG LEU A 48 13.926 -7.501 9.753 1.00 0.00 C ATOM 787 CD1 LEU A 48 13.319 -7.109 11.094 1.00 0.00 C ATOM 788 CD2 LEU A 48 14.515 -8.902 9.816 1.00 0.00 C ATOM 0 H LEU A 48 14.180 -5.795 7.205 1.00 0.00 H new ATOM 0 HA LEU A 48 13.825 -8.711 7.239 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.393 -6.457 8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.074 -8.166 8.895 1.00 0.00 H new ATOM 0 HG LEU A 48 14.724 -6.796 9.520 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.086 -7.152 11.867 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.923 -6.095 11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.513 -7.799 11.344 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.276 -8.942 10.595 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.726 -9.619 10.042 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.966 -9.151 8.855 1.00 0.00 H new ATOM 800 N VAL A 49 11.731 -6.522 5.929 1.00 0.00 N ATOM 801 CA VAL A 49 10.572 -6.373 5.065 1.00 0.00 C ATOM 802 C VAL A 49 10.929 -5.458 3.893 1.00 0.00 C ATOM 803 O VAL A 49 11.731 -4.537 4.043 1.00 0.00 O ATOM 804 CB VAL A 49 9.361 -5.798 5.823 1.00 0.00 C ATOM 805 CG1 VAL A 49 8.889 -6.774 6.891 1.00 0.00 C ATOM 806 CG2 VAL A 49 9.710 -4.456 6.446 1.00 0.00 C ATOM 0 H VAL A 49 12.126 -5.645 6.268 1.00 0.00 H new ATOM 0 HA VAL A 49 10.294 -7.362 4.701 1.00 0.00 H new ATOM 0 HB VAL A 49 8.550 -5.646 5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.033 -6.352 7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.599 -7.714 6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.697 -6.956 7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.842 -4.065 6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.537 -4.583 7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.002 -3.756 5.663 1.00 0.00 H new ATOM 816 N LYS A 50 10.313 -5.741 2.754 1.00 0.00 N ATOM 817 CA LYS A 50 10.558 -4.954 1.557 1.00 0.00 C ATOM 818 C LYS A 50 9.338 -4.075 1.272 1.00 0.00 C ATOM 819 O LYS A 50 8.204 -4.479 1.522 1.00 0.00 O ATOM 820 CB LYS A 50 10.865 -5.859 0.362 1.00 0.00 C ATOM 821 CG LYS A 50 11.111 -5.116 -0.943 1.00 0.00 C ATOM 822 CD LYS A 50 11.364 -6.082 -2.091 1.00 0.00 C ATOM 823 CE LYS A 50 11.571 -5.342 -3.404 1.00 0.00 C ATOM 824 NZ LYS A 50 11.764 -6.276 -4.546 1.00 0.00 N ATOM 0 H LYS A 50 9.646 -6.503 2.635 1.00 0.00 H new ATOM 0 HA LYS A 50 11.428 -4.319 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.743 -6.461 0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.033 -6.549 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.250 -4.490 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.967 -4.451 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.243 -6.689 -1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.520 -6.766 -2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.710 -4.703 -3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.440 -4.689 -3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.902 -5.731 -5.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.601 -6.869 -4.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.925 -6.882 -4.644 1.00 0.00 H new ATOM 838 N TYR A 51 9.615 -2.887 0.751 1.00 0.00 N ATOM 839 CA TYR A 51 8.560 -1.926 0.483 1.00 0.00 C ATOM 840 C TYR A 51 8.470 -1.614 -1.013 1.00 0.00 C ATOM 841 O TYR A 51 9.455 -1.201 -1.624 1.00 0.00 O ATOM 842 CB TYR A 51 8.794 -0.640 1.280 1.00 0.00 C ATOM 843 CG TYR A 51 8.722 -0.827 2.779 1.00 0.00 C ATOM 844 CD1 TYR A 51 9.862 -1.110 3.518 1.00 0.00 C ATOM 845 CD2 TYR A 51 7.513 -0.720 3.452 1.00 0.00 C ATOM 846 CE1 TYR A 51 9.801 -1.282 4.887 1.00 0.00 C ATOM 847 CE2 TYR A 51 7.441 -0.889 4.821 1.00 0.00 C ATOM 848 CZ TYR A 51 8.588 -1.170 5.536 1.00 0.00 C ATOM 849 OH TYR A 51 8.521 -1.338 6.900 1.00 0.00 O ATOM 0 H TYR A 51 10.554 -2.570 0.508 1.00 0.00 H new ATOM 0 HA TYR A 51 7.614 -2.367 0.797 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.773 -0.236 1.021 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.054 0.102 0.980 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.813 -1.197 3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.613 -0.501 2.896 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.698 -1.503 5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.492 -0.802 5.329 1.00 0.00 H new ATOM 0 HH TYR A 51 7.594 -1.225 7.198 1.00 0.00 H new ATOM 859 N VAL A 52 7.283 -1.824 -1.559 1.00 0.00 N ATOM 860 CA VAL A 52 7.015 -1.445 -2.935 1.00 0.00 C ATOM 861 C VAL A 52 5.790 -0.529 -2.980 1.00 0.00 C ATOM 862 O VAL A 52 4.759 -0.835 -2.381 1.00 0.00 O ATOM 863 CB VAL A 52 6.776 -2.674 -3.833 1.00 0.00 C ATOM 864 CG1 VAL A 52 6.537 -2.243 -5.273 1.00 0.00 C ATOM 865 CG2 VAL A 52 7.958 -3.628 -3.754 1.00 0.00 C ATOM 0 H VAL A 52 6.495 -2.252 -1.073 1.00 0.00 H new ATOM 0 HA VAL A 52 7.892 -0.922 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 52 5.887 -3.194 -3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.370 -3.124 -5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.661 -1.596 -5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.408 -1.701 -5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.773 -4.491 -4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.861 -3.117 -4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.088 -3.962 -2.724 1.00 0.00 H new ATOM 875 N CYS A 53 5.944 0.578 -3.692 1.00 0.00 N ATOM 876 CA CYS A 53 4.874 1.555 -3.797 1.00 0.00 C ATOM 877 C CYS A 53 4.467 1.663 -5.268 1.00 0.00 C ATOM 878 O CYS A 53 5.254 1.351 -6.158 1.00 0.00 O ATOM 879 CB CYS A 53 5.285 2.909 -3.218 1.00 0.00 C ATOM 880 SG CYS A 53 6.068 2.831 -1.565 1.00 0.00 S ATOM 0 H CYS A 53 6.794 0.820 -4.202 1.00 0.00 H new ATOM 0 HA CYS A 53 4.019 1.227 -3.207 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.977 3.389 -3.910 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.402 3.545 -3.157 1.00 0.00 H new ATOM 886 N CYS A 54 3.237 2.108 -5.477 1.00 0.00 N ATOM 887 CA CYS A 54 2.748 2.351 -6.824 1.00 0.00 C ATOM 888 C CYS A 54 1.686 3.450 -6.759 1.00 0.00 C ATOM 889 O CYS A 54 0.921 3.525 -5.797 1.00 0.00 O ATOM 890 CB CYS A 54 2.205 1.073 -7.468 1.00 0.00 C ATOM 891 SG CYS A 54 1.120 0.070 -6.390 1.00 0.00 S ATOM 0 H CYS A 54 2.564 2.307 -4.737 1.00 0.00 H new ATOM 0 HA CYS A 54 3.572 2.679 -7.458 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.651 1.343 -8.367 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.047 0.458 -7.786 1.00 0.00 H new ATOM 897 N ASN A 55 1.673 4.279 -7.792 1.00 0.00 N ATOM 898 CA ASN A 55 1.028 5.579 -7.701 1.00 0.00 C ATOM 899 C ASN A 55 -0.324 5.521 -8.417 1.00 0.00 C ATOM 900 O ASN A 55 -0.755 6.503 -9.017 1.00 0.00 O ATOM 901 CB ASN A 55 1.897 6.682 -8.276 1.00 0.00 C ATOM 902 CG ASN A 55 2.208 6.509 -9.737 1.00 0.00 C ATOM 903 OD1 ASN A 55 1.946 5.455 -10.328 1.00 0.00 O ATOM 904 ND2 ASN A 55 2.839 7.507 -10.301 1.00 0.00 N ATOM 0 H ASN A 55 2.099 4.076 -8.697 1.00 0.00 H new ATOM 0 HA ASN A 55 0.874 5.816 -6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.396 7.639 -8.131 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.832 6.724 -7.717 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.139 7.436 -11.273 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.031 8.356 -9.768 1.00 0.00 H new ATOM 911 N THR A 56 -0.956 4.360 -8.326 1.00 0.00 N ATOM 912 CA THR A 56 -2.286 4.186 -8.887 1.00 0.00 C ATOM 913 C THR A 56 -3.190 3.449 -7.897 1.00 0.00 C ATOM 914 O THR A 56 -2.721 2.941 -6.880 1.00 0.00 O ATOM 915 CB THR A 56 -2.242 3.409 -10.216 1.00 0.00 C ATOM 916 OG1 THR A 56 -1.638 2.127 -10.003 1.00 0.00 O ATOM 917 CG2 THR A 56 -1.441 4.177 -11.256 1.00 0.00 C ATOM 0 H THR A 56 -0.572 3.531 -7.873 1.00 0.00 H new ATOM 0 HA THR A 56 -2.690 5.179 -9.082 1.00 0.00 H new ATOM 0 HB THR A 56 -3.262 3.282 -10.579 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.612 1.633 -10.849 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.420 3.613 -12.189 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.906 5.148 -11.429 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.422 4.321 -10.897 1.00 0.00 H new ATOM 925 N ASP A 57 -4.472 3.413 -8.230 1.00 0.00 N ATOM 926 CA ASP A 57 -5.469 2.889 -7.312 1.00 0.00 C ATOM 927 C ASP A 57 -5.468 1.360 -7.386 1.00 0.00 C ATOM 928 O ASP A 57 -5.354 0.788 -8.468 1.00 0.00 O ATOM 929 CB ASP A 57 -6.857 3.446 -7.636 1.00 0.00 C ATOM 930 CG ASP A 57 -7.043 4.915 -7.279 1.00 0.00 C ATOM 931 OD1 ASP A 57 -6.768 5.273 -6.159 1.00 0.00 O ATOM 932 OD2 ASP A 57 -7.308 5.692 -8.165 1.00 0.00 O ATOM 0 H ASP A 57 -4.843 3.738 -9.123 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.219 3.201 -6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.048 3.316 -8.701 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.605 2.858 -7.104 1.00 0.00 H new ATOM 938 N ARG A 58 -5.598 0.742 -6.221 1.00 0.00 N ATOM 939 CA ARG A 58 -5.807 -0.693 -6.155 1.00 0.00 C ATOM 940 C ARG A 58 -4.710 -1.427 -6.930 1.00 0.00 C ATOM 941 O ARG A 58 -4.958 -2.473 -7.526 1.00 0.00 O ATOM 942 CB ARG A 58 -7.172 -1.079 -6.728 1.00 0.00 C ATOM 943 CG ARG A 58 -8.304 -0.423 -5.936 1.00 0.00 C ATOM 944 CD ARG A 58 -9.598 -0.395 -6.750 1.00 0.00 C ATOM 945 NE ARG A 58 -9.501 0.626 -7.819 1.00 0.00 N ATOM 946 CZ ARG A 58 -10.369 0.729 -8.846 1.00 0.00 C ATOM 947 NH1 ARG A 58 -10.189 1.681 -9.745 1.00 0.00 N ATOM 948 NH2 ARG A 58 -11.408 -0.124 -8.954 1.00 0.00 N ATOM 0 H ARG A 58 -5.562 1.210 -5.315 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.771 -0.984 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.231 -0.775 -7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.287 -2.163 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.466 -0.969 -5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.020 0.593 -5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.783 -1.376 -7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.443 -0.172 -6.098 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.730 1.292 -7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.402 2.324 -9.656 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.837 1.772 -10.528 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.543 -0.855 -8.255 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.059 -0.038 -9.734 1.00 0.00 H new ATOM 962 N CYS A 59 -3.519 -0.847 -6.896 1.00 0.00 N ATOM 963 CA CYS A 59 -2.399 -1.395 -7.642 1.00 0.00 C ATOM 964 C CYS A 59 -1.740 -2.481 -6.789 1.00 0.00 C ATOM 965 O CYS A 59 -1.224 -3.464 -7.318 1.00 0.00 O ATOM 966 CB CYS A 59 -1.404 -0.308 -8.050 1.00 0.00 C ATOM 967 SG CYS A 59 -0.776 0.716 -6.670 1.00 0.00 S ATOM 0 H CYS A 59 -3.305 -0.003 -6.364 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.759 -1.833 -8.573 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.557 -0.779 -8.549 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.881 0.345 -8.781 1.00 0.00 H new ATOM 973 N ASN A 60 -1.777 -2.264 -5.482 1.00 0.00 N ATOM 974 CA ASN A 60 -1.156 -3.193 -4.552 1.00 0.00 C ATOM 975 C ASN A 60 -2.230 -4.100 -3.950 1.00 0.00 C ATOM 976 O ASN A 60 -2.680 -5.048 -4.595 1.00 0.00 O ATOM 977 CB ASN A 60 -0.470 -2.449 -3.405 1.00 0.00 C ATOM 978 CG ASN A 60 -1.478 -1.613 -2.613 1.00 0.00 C ATOM 979 OD1 ASN A 60 -2.664 -1.585 -2.903 1.00 0.00 O ATOM 980 ND2 ASN A 60 -0.945 -0.935 -1.603 1.00 0.00 N ATOM 981 OXT ASN A 60 -2.641 -3.891 -2.844 1.00 0.00 O ATOM 0 H ASN A 60 -2.227 -1.459 -5.045 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.414 -3.773 -5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.015 -3.165 -2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.312 -1.802 -3.803 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.536 -0.347 -1.016 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.055 -1.003 -1.415 1.00 0.00 H new