USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 642 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 138 THR OG1 : rot 180:sc= 0.941 USER MOD Set 1.2: A 141 ASN : amide:sc= 1.09 K(o=2,f=0.00022) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 159:sc= 0.04 (180deg=0.00483) USER MOD Single : A 82 GLN : amide:sc= -0.905 K(o=-0.91,f=-2.3!) USER MOD Single : A 85 LYS NZ :NH3+ 151:sc= 1.15 (180deg=0.389) USER MOD Single : A 87 SER OG : rot 180:sc= -0.0591 USER MOD Single : A 90 HIS : +bothHN:sc= 1.06! C(o=1.1!,f=-9.2!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -2.12! USER MOD Single : A 100 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.24) USER MOD Single : A 102 LYS NZ :NH3+ -154:sc= -0.312 (180deg=-1.52) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.156 F(o=-1.8,f=-0.16) USER MOD Single : A 104 HIS : no HE2:sc= 0.956 K(o=0.96,f=-3!) USER MOD Single : A 107 SER OG : rot -22:sc= 1.22 USER MOD Single : A 110 LYS NZ :NH3+ -142:sc= 1.59 (180deg=0.517) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot -36:sc= 0.206 USER MOD Single : A 118 LYS NZ :NH3+ 150:sc= -0.816 (180deg=-1.86) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.0487 X(o=-0.049,f=-0.49) USER MOD Single : A 129 ASN : amide:sc= 0.94 K(o=0.94,f=-0.042) USER MOD Single : A 133 SER OG : rot -46:sc= 1.27 USER MOD Single : A 136 LYS NZ :NH3+ 168:sc= -0.0166 (180deg=-0.192) USER MOD Single : A 142 SER OG : rot -107:sc= 1.29 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 MET CE :methyl -116:sc= -0.35 (180deg=-1.36) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 54 N LEU A 76 8.593 -3.313 -5.188 1.00 0.41 N ATOM 55 CA LEU A 76 7.654 -3.621 -4.121 1.00 0.29 C ATOM 56 C LEU A 76 6.528 -4.515 -4.627 1.00 0.23 C ATOM 57 O LEU A 76 5.785 -4.144 -5.540 1.00 0.28 O ATOM 58 CB LEU A 76 7.065 -2.341 -3.511 1.00 0.26 C ATOM 59 CG LEU A 76 8.078 -1.364 -2.895 1.00 0.35 C ATOM 60 CD1 LEU A 76 8.692 -0.470 -3.962 1.00 0.54 C ATOM 61 CD2 LEU A 76 7.421 -0.524 -1.809 1.00 0.27 C ATOM 0 HA LEU A 76 8.206 -4.153 -3.346 1.00 0.29 H new ATOM 0 HB2 LEU A 76 6.508 -1.815 -4.286 1.00 0.26 H new ATOM 0 HB3 LEU A 76 6.349 -2.625 -2.740 1.00 0.26 H new ATOM 0 HG LEU A 76 8.878 -1.950 -2.443 1.00 0.35 H new ATOM 0 HD11 LEU A 76 9.405 0.212 -3.499 1.00 0.54 H new ATOM 0 HD12 LEU A 76 9.205 -1.085 -4.701 1.00 0.54 H new ATOM 0 HD13 LEU A 76 7.906 0.105 -4.452 1.00 0.54 H new ATOM 0 HD21 LEU A 76 8.155 0.161 -1.385 1.00 0.27 H new ATOM 0 HD22 LEU A 76 6.597 0.046 -2.238 1.00 0.27 H new ATOM 0 HD23 LEU A 76 7.039 -1.177 -1.024 1.00 0.27 H new ATOM 73 N THR A 77 6.421 -5.699 -4.050 1.00 0.20 N ATOM 74 CA THR A 77 5.329 -6.604 -4.356 1.00 0.16 C ATOM 75 C THR A 77 4.312 -6.567 -3.226 1.00 0.16 C ATOM 76 O THR A 77 4.442 -7.281 -2.233 1.00 0.20 O ATOM 77 CB THR A 77 5.830 -8.046 -4.552 1.00 0.15 C ATOM 78 OG1 THR A 77 6.894 -8.059 -5.515 1.00 0.21 O ATOM 79 CG2 THR A 77 4.697 -8.960 -5.012 1.00 0.26 C ATOM 0 H THR A 77 7.083 -6.057 -3.362 1.00 0.20 H new ATOM 0 HA THR A 77 4.867 -6.278 -5.288 1.00 0.16 H new ATOM 0 HB THR A 77 6.199 -8.418 -3.596 1.00 0.15 H new ATOM 0 HG1 THR A 77 7.213 -8.977 -5.637 1.00 0.21 H new ATOM 0 HG21 THR A 77 5.077 -9.973 -5.143 1.00 0.26 H new ATOM 0 HG22 THR A 77 3.905 -8.964 -4.263 1.00 0.26 H new ATOM 0 HG23 THR A 77 4.298 -8.597 -5.959 1.00 0.26 H new ATOM 87 N LEU A 78 3.315 -5.717 -3.382 1.00 0.17 N ATOM 88 CA LEU A 78 2.322 -5.504 -2.348 1.00 0.20 C ATOM 89 C LEU A 78 1.261 -6.596 -2.416 1.00 0.18 C ATOM 90 O LEU A 78 0.392 -6.576 -3.293 1.00 0.20 O ATOM 91 CB LEU A 78 1.668 -4.125 -2.518 1.00 0.22 C ATOM 92 CG LEU A 78 2.615 -2.968 -2.868 1.00 0.30 C ATOM 93 CD1 LEU A 78 1.841 -1.666 -2.997 1.00 0.69 C ATOM 94 CD2 LEU A 78 3.713 -2.826 -1.826 1.00 0.72 C ATOM 0 H LEU A 78 3.171 -5.158 -4.223 1.00 0.17 H new ATOM 0 HA LEU A 78 2.811 -5.543 -1.375 1.00 0.20 H new ATOM 0 HB2 LEU A 78 0.912 -4.198 -3.299 1.00 0.22 H new ATOM 0 HB3 LEU A 78 1.148 -3.875 -1.593 1.00 0.22 H new ATOM 0 HG LEU A 78 3.082 -3.195 -3.826 1.00 0.30 H new ATOM 0 HD11 LEU A 78 2.528 -0.857 -3.245 1.00 0.69 H new ATOM 0 HD12 LEU A 78 1.095 -1.763 -3.786 1.00 0.69 H new ATOM 0 HD13 LEU A 78 1.344 -1.443 -2.053 1.00 0.69 H new ATOM 0 HD21 LEU A 78 4.369 -1.999 -2.099 1.00 0.72 H new ATOM 0 HD22 LEU A 78 3.266 -2.628 -0.852 1.00 0.72 H new ATOM 0 HD23 LEU A 78 4.292 -3.748 -1.779 1.00 0.72 H new ATOM 106 N LYS A 79 1.349 -7.565 -1.517 1.00 0.19 N ATOM 107 CA LYS A 79 0.366 -8.631 -1.472 1.00 0.19 C ATOM 108 C LYS A 79 -0.748 -8.287 -0.490 1.00 0.17 C ATOM 109 O LYS A 79 -0.509 -8.136 0.711 1.00 0.18 O ATOM 110 CB LYS A 79 1.013 -9.963 -1.093 1.00 0.29 C ATOM 111 CG LYS A 79 0.037 -11.131 -1.139 1.00 0.35 C ATOM 112 CD LYS A 79 0.724 -12.471 -0.922 1.00 0.88 C ATOM 113 CE LYS A 79 1.310 -12.598 0.476 1.00 0.97 C ATOM 114 NZ LYS A 79 1.834 -13.965 0.729 1.00 1.39 N ATOM 0 H LYS A 79 2.086 -7.633 -0.815 1.00 0.19 H new ATOM 0 HA LYS A 79 -0.062 -8.734 -2.469 1.00 0.19 H new ATOM 0 HB2 LYS A 79 1.843 -10.163 -1.770 1.00 0.29 H new ATOM 0 HB3 LYS A 79 1.431 -9.885 -0.090 1.00 0.29 H new ATOM 0 HG2 LYS A 79 -0.729 -10.991 -0.376 1.00 0.35 H new ATOM 0 HG3 LYS A 79 -0.471 -11.138 -2.103 1.00 0.35 H new ATOM 0 HD2 LYS A 79 0.008 -13.275 -1.088 1.00 0.88 H new ATOM 0 HD3 LYS A 79 1.518 -12.594 -1.659 1.00 0.88 H new ATOM 0 HE2 LYS A 79 2.113 -11.871 0.602 1.00 0.97 H new ATOM 0 HE3 LYS A 79 0.545 -12.359 1.215 1.00 0.97 H new ATOM 0 HZ1 LYS A 79 2.225 -14.014 1.691 1.00 1.39 H new ATOM 0 HZ2 LYS A 79 1.062 -14.656 0.633 1.00 1.39 H new ATOM 0 HZ3 LYS A 79 2.581 -14.183 0.040 1.00 1.39 H new ATOM 128 N LYS A 80 -1.958 -8.162 -1.012 1.00 0.20 N ATOM 129 CA LYS A 80 -3.111 -7.768 -0.217 1.00 0.20 C ATOM 130 C LYS A 80 -3.938 -8.984 0.165 1.00 0.26 C ATOM 131 O LYS A 80 -4.599 -9.593 -0.678 1.00 0.30 O ATOM 132 CB LYS A 80 -3.971 -6.773 -1.000 1.00 0.18 C ATOM 133 CG LYS A 80 -5.220 -6.312 -0.266 1.00 0.21 C ATOM 134 CD LYS A 80 -6.002 -5.315 -1.105 1.00 0.26 C ATOM 135 CE LYS A 80 -7.346 -4.984 -0.487 1.00 0.30 C ATOM 136 NZ LYS A 80 -8.095 -3.977 -1.286 1.00 0.40 N ATOM 0 H LYS A 80 -2.168 -8.330 -1.996 1.00 0.20 H new ATOM 0 HA LYS A 80 -2.756 -7.291 0.697 1.00 0.20 H new ATOM 0 HB2 LYS A 80 -3.365 -5.901 -1.245 1.00 0.18 H new ATOM 0 HB3 LYS A 80 -4.267 -7.231 -1.944 1.00 0.18 H new ATOM 0 HG2 LYS A 80 -5.849 -7.171 -0.034 1.00 0.21 H new ATOM 0 HG3 LYS A 80 -4.941 -5.855 0.684 1.00 0.21 H new ATOM 0 HD2 LYS A 80 -5.420 -4.401 -1.218 1.00 0.26 H new ATOM 0 HD3 LYS A 80 -6.153 -5.722 -2.105 1.00 0.26 H new ATOM 0 HE2 LYS A 80 -7.940 -5.894 -0.402 1.00 0.30 H new ATOM 0 HE3 LYS A 80 -7.197 -4.606 0.524 1.00 0.30 H new ATOM 0 HZ1 LYS A 80 -9.108 -4.035 -1.057 1.00 0.40 H new ATOM 0 HZ2 LYS A 80 -7.744 -3.024 -1.061 1.00 0.40 H new ATOM 0 HZ3 LYS A 80 -7.958 -4.166 -2.299 1.00 0.40 H new ATOM 150 N ILE A 81 -3.914 -9.319 1.441 1.00 0.33 N ATOM 151 CA ILE A 81 -4.634 -10.478 1.944 1.00 0.42 C ATOM 152 C ILE A 81 -5.770 -10.048 2.866 1.00 0.42 C ATOM 153 O ILE A 81 -5.998 -10.638 3.921 1.00 0.46 O ATOM 154 CB ILE A 81 -3.692 -11.455 2.687 1.00 0.53 C ATOM 155 CG1 ILE A 81 -2.913 -10.739 3.799 1.00 0.51 C ATOM 156 CG2 ILE A 81 -2.734 -12.107 1.703 1.00 0.64 C ATOM 157 CD1 ILE A 81 -2.053 -11.666 4.632 1.00 0.63 C ATOM 0 H ILE A 81 -3.400 -8.802 2.154 1.00 0.33 H new ATOM 0 HA ILE A 81 -5.052 -10.999 1.083 1.00 0.42 H new ATOM 0 HB ILE A 81 -4.303 -12.228 3.153 1.00 0.53 H new ATOM 0 HG12 ILE A 81 -2.279 -9.973 3.352 1.00 0.51 H new ATOM 0 HG13 ILE A 81 -3.619 -10.226 4.453 1.00 0.51 H new ATOM 0 HG21 ILE A 81 -2.076 -12.793 2.236 1.00 0.64 H new ATOM 0 HG22 ILE A 81 -3.302 -12.658 0.953 1.00 0.64 H new ATOM 0 HG23 ILE A 81 -2.137 -11.338 1.213 1.00 0.64 H new ATOM 0 HD11 ILE A 81 -1.533 -11.090 5.397 1.00 0.63 H new ATOM 0 HD12 ILE A 81 -2.683 -12.417 5.109 1.00 0.63 H new ATOM 0 HD13 ILE A 81 -1.323 -12.160 3.990 1.00 0.63 H new ATOM 169 N GLN A 82 -6.483 -9.009 2.459 1.00 0.44 N ATOM 170 CA GLN A 82 -7.576 -8.475 3.259 1.00 0.47 C ATOM 171 C GLN A 82 -8.921 -8.619 2.547 1.00 0.49 C ATOM 172 O GLN A 82 -9.552 -9.669 2.615 1.00 0.54 O ATOM 173 CB GLN A 82 -7.302 -7.017 3.594 1.00 0.46 C ATOM 174 CG GLN A 82 -6.123 -6.821 4.529 1.00 0.47 C ATOM 175 CD GLN A 82 -6.409 -7.294 5.941 1.00 0.57 C ATOM 176 OE1 GLN A 82 -6.872 -6.523 6.779 1.00 1.22 O ATOM 177 NE2 GLN A 82 -6.144 -8.561 6.211 1.00 1.15 N ATOM 0 H GLN A 82 -6.325 -8.518 1.579 1.00 0.44 H new ATOM 0 HA GLN A 82 -7.635 -9.053 4.182 1.00 0.47 H new ATOM 0 HB2 GLN A 82 -7.118 -6.469 2.670 1.00 0.46 H new ATOM 0 HB3 GLN A 82 -8.192 -6.584 4.049 1.00 0.46 H new ATOM 0 HG2 GLN A 82 -5.261 -7.361 4.137 1.00 0.47 H new ATOM 0 HG3 GLN A 82 -5.855 -5.765 4.552 1.00 0.47 H new ATOM 0 HE21 GLN A 82 -5.760 -9.167 5.486 1.00 1.15 H new ATOM 0 HE22 GLN A 82 -6.324 -8.932 7.144 1.00 1.15 H new ATOM 186 N ALA A 83 -9.350 -7.570 1.849 1.00 0.46 N ATOM 187 CA ALA A 83 -10.596 -7.614 1.088 1.00 0.50 C ATOM 188 C ALA A 83 -10.662 -6.457 0.099 1.00 0.47 C ATOM 189 O ALA A 83 -10.268 -5.338 0.425 1.00 0.47 O ATOM 190 CB ALA A 83 -11.799 -7.572 2.020 1.00 0.60 C ATOM 0 H ALA A 83 -8.854 -6.680 1.795 1.00 0.46 H new ATOM 0 HA ALA A 83 -10.618 -8.552 0.533 1.00 0.50 H new ATOM 0 HB1 ALA A 83 -12.716 -7.606 1.432 1.00 0.60 H new ATOM 0 HB2 ALA A 83 -11.768 -8.429 2.693 1.00 0.60 H new ATOM 0 HB3 ALA A 83 -11.776 -6.651 2.603 1.00 0.60 H new ATOM 196 N PRO A 84 -11.099 -6.717 -1.146 1.00 0.48 N ATOM 197 CA PRO A 84 -11.377 -8.072 -1.645 1.00 0.48 C ATOM 198 C PRO A 84 -10.107 -8.827 -2.055 1.00 0.40 C ATOM 199 O PRO A 84 -10.174 -9.819 -2.782 1.00 0.39 O ATOM 200 CB PRO A 84 -12.259 -7.814 -2.864 1.00 0.53 C ATOM 201 CG PRO A 84 -11.813 -6.487 -3.370 1.00 0.77 C ATOM 202 CD PRO A 84 -11.421 -5.688 -2.155 1.00 0.54 C ATOM 0 HA PRO A 84 -11.838 -8.700 -0.883 1.00 0.48 H new ATOM 0 HB2 PRO A 84 -12.131 -8.590 -3.618 1.00 0.53 H new ATOM 0 HB3 PRO A 84 -13.315 -7.802 -2.595 1.00 0.53 H new ATOM 0 HG2 PRO A 84 -10.972 -6.594 -4.055 1.00 0.77 H new ATOM 0 HG3 PRO A 84 -12.612 -5.991 -3.921 1.00 0.77 H new ATOM 0 HD2 PRO A 84 -10.565 -5.045 -2.358 1.00 0.54 H new ATOM 0 HD3 PRO A 84 -12.233 -5.042 -1.822 1.00 0.54 H new ATOM 210 N LYS A 85 -8.956 -8.322 -1.596 1.00 0.35 N ATOM 211 CA LYS A 85 -7.649 -8.974 -1.785 1.00 0.30 C ATOM 212 C LYS A 85 -7.127 -8.832 -3.222 1.00 0.27 C ATOM 213 O LYS A 85 -7.902 -8.639 -4.163 1.00 0.31 O ATOM 214 CB LYS A 85 -7.705 -10.462 -1.400 1.00 0.34 C ATOM 215 CG LYS A 85 -8.176 -10.729 0.025 1.00 0.41 C ATOM 216 CD LYS A 85 -8.082 -12.213 0.363 1.00 0.50 C ATOM 217 CE LYS A 85 -8.576 -12.518 1.771 1.00 1.33 C ATOM 218 NZ LYS A 85 -10.039 -12.286 1.920 1.00 1.96 N ATOM 0 H LYS A 85 -8.902 -7.444 -1.079 1.00 0.35 H new ATOM 0 HA LYS A 85 -6.954 -8.459 -1.122 1.00 0.30 H new ATOM 0 HB2 LYS A 85 -8.370 -10.978 -2.092 1.00 0.34 H new ATOM 0 HB3 LYS A 85 -6.713 -10.895 -1.528 1.00 0.34 H new ATOM 0 HG2 LYS A 85 -7.571 -10.154 0.726 1.00 0.41 H new ATOM 0 HG3 LYS A 85 -9.206 -10.391 0.141 1.00 0.41 H new ATOM 0 HD2 LYS A 85 -8.667 -12.785 -0.357 1.00 0.50 H new ATOM 0 HD3 LYS A 85 -7.047 -12.541 0.265 1.00 0.50 H new ATOM 0 HE2 LYS A 85 -8.348 -13.555 2.017 1.00 1.33 H new ATOM 0 HE3 LYS A 85 -8.037 -11.895 2.485 1.00 1.33 H new ATOM 0 HZ1 LYS A 85 -10.419 -12.923 2.649 1.00 1.96 H new ATOM 0 HZ2 LYS A 85 -10.207 -11.299 2.200 1.00 1.96 H new ATOM 0 HZ3 LYS A 85 -10.514 -12.474 1.014 1.00 1.96 H new ATOM 232 N PHE A 86 -5.799 -8.899 -3.361 1.00 0.24 N ATOM 233 CA PHE A 86 -5.117 -8.907 -4.659 1.00 0.23 C ATOM 234 C PHE A 86 -3.607 -8.987 -4.449 1.00 0.22 C ATOM 235 O PHE A 86 -3.140 -9.096 -3.319 1.00 0.24 O ATOM 236 CB PHE A 86 -5.461 -7.670 -5.524 1.00 0.26 C ATOM 237 CG PHE A 86 -5.133 -6.317 -4.925 1.00 0.25 C ATOM 238 CD1 PHE A 86 -3.870 -6.023 -4.428 1.00 0.27 C ATOM 239 CD2 PHE A 86 -6.096 -5.325 -4.891 1.00 0.30 C ATOM 240 CE1 PHE A 86 -3.583 -4.777 -3.904 1.00 0.30 C ATOM 241 CE2 PHE A 86 -5.816 -4.078 -4.366 1.00 0.32 C ATOM 242 CZ PHE A 86 -4.558 -3.804 -3.874 1.00 0.28 C ATOM 0 H PHE A 86 -5.161 -8.950 -2.567 1.00 0.24 H new ATOM 0 HA PHE A 86 -5.469 -9.785 -5.201 1.00 0.23 H new ATOM 0 HB2 PHE A 86 -4.934 -7.760 -6.474 1.00 0.26 H new ATOM 0 HB3 PHE A 86 -6.528 -7.695 -5.748 1.00 0.26 H new ATOM 0 HD1 PHE A 86 -3.100 -6.780 -4.451 1.00 0.27 H new ATOM 0 HD2 PHE A 86 -7.082 -5.528 -5.281 1.00 0.30 H new ATOM 0 HE1 PHE A 86 -2.596 -4.566 -3.519 1.00 0.30 H new ATOM 0 HE2 PHE A 86 -6.583 -3.318 -4.341 1.00 0.32 H new ATOM 0 HZ PHE A 86 -4.337 -2.829 -3.466 1.00 0.28 H new ATOM 252 N SER A 87 -2.854 -8.946 -5.535 1.00 0.22 N ATOM 253 CA SER A 87 -1.405 -8.835 -5.465 1.00 0.24 C ATOM 254 C SER A 87 -0.912 -7.910 -6.570 1.00 0.23 C ATOM 255 O SER A 87 -1.209 -8.124 -7.746 1.00 0.31 O ATOM 256 CB SER A 87 -0.748 -10.211 -5.589 1.00 0.34 C ATOM 257 OG SER A 87 -1.114 -11.050 -4.505 1.00 1.32 O ATOM 0 H SER A 87 -3.225 -8.988 -6.484 1.00 0.22 H new ATOM 0 HA SER A 87 -1.130 -8.418 -4.496 1.00 0.24 H new ATOM 0 HB2 SER A 87 -1.045 -10.676 -6.529 1.00 0.34 H new ATOM 0 HB3 SER A 87 0.336 -10.099 -5.617 1.00 0.34 H new ATOM 0 HG SER A 87 -0.683 -11.924 -4.608 1.00 1.32 H new ATOM 263 N ILE A 88 -0.179 -6.875 -6.194 1.00 0.18 N ATOM 264 CA ILE A 88 0.267 -5.874 -7.153 1.00 0.19 C ATOM 265 C ILE A 88 1.767 -5.653 -7.048 1.00 0.21 C ATOM 266 O ILE A 88 2.322 -5.611 -5.954 1.00 0.38 O ATOM 267 CB ILE A 88 -0.451 -4.521 -6.947 1.00 0.20 C ATOM 268 CG1 ILE A 88 -0.330 -4.074 -5.486 1.00 0.18 C ATOM 269 CG2 ILE A 88 -1.908 -4.612 -7.375 1.00 0.20 C ATOM 270 CD1 ILE A 88 -1.020 -2.764 -5.180 1.00 0.21 C ATOM 0 H ILE A 88 0.120 -6.705 -5.234 1.00 0.18 H new ATOM 0 HA ILE A 88 0.019 -6.257 -8.143 1.00 0.19 H new ATOM 0 HB ILE A 88 0.031 -3.771 -7.574 1.00 0.20 H new ATOM 0 HG12 ILE A 88 -0.747 -4.850 -4.844 1.00 0.18 H new ATOM 0 HG13 ILE A 88 0.726 -3.984 -5.232 1.00 0.18 H new ATOM 0 HG21 ILE A 88 -2.393 -3.648 -7.221 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -1.961 -4.881 -8.430 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -2.415 -5.372 -6.781 1.00 0.20 H new ATOM 0 HD11 ILE A 88 -0.887 -2.520 -4.126 1.00 0.21 H new ATOM 0 HD12 ILE A 88 -0.588 -1.973 -5.793 1.00 0.21 H new ATOM 0 HD13 ILE A 88 -2.084 -2.853 -5.400 1.00 0.21 H new ATOM 282 N GLU A 89 2.418 -5.521 -8.184 1.00 0.21 N ATOM 283 CA GLU A 89 3.837 -5.230 -8.205 1.00 0.25 C ATOM 284 C GLU A 89 4.061 -3.811 -8.686 1.00 0.24 C ATOM 285 O GLU A 89 3.697 -3.454 -9.806 1.00 0.33 O ATOM 286 CB GLU A 89 4.581 -6.229 -9.088 1.00 0.30 C ATOM 287 CG GLU A 89 4.635 -7.621 -8.485 1.00 1.02 C ATOM 288 CD GLU A 89 5.367 -8.611 -9.358 1.00 1.07 C ATOM 289 OE1 GLU A 89 6.614 -8.589 -9.372 1.00 0.93 O ATOM 290 OE2 GLU A 89 4.696 -9.416 -10.040 1.00 1.45 O ATOM 0 H GLU A 89 1.988 -5.610 -9.105 1.00 0.21 H new ATOM 0 HA GLU A 89 4.232 -5.324 -7.193 1.00 0.25 H new ATOM 0 HB2 GLU A 89 4.094 -6.279 -10.062 1.00 0.30 H new ATOM 0 HB3 GLU A 89 5.597 -5.872 -9.257 1.00 0.30 H new ATOM 0 HG2 GLU A 89 5.124 -7.571 -7.512 1.00 1.02 H new ATOM 0 HG3 GLU A 89 3.619 -7.977 -8.314 1.00 1.02 H new ATOM 297 N HIS A 90 4.623 -2.993 -7.820 1.00 0.24 N ATOM 298 CA HIS A 90 4.872 -1.600 -8.136 1.00 0.28 C ATOM 299 C HIS A 90 6.332 -1.260 -7.867 1.00 0.33 C ATOM 300 O HIS A 90 6.824 -1.430 -6.752 1.00 0.44 O ATOM 301 CB HIS A 90 3.944 -0.685 -7.317 1.00 0.36 C ATOM 302 CG HIS A 90 2.513 -0.656 -7.789 1.00 1.10 C ATOM 303 ND1 HIS A 90 2.006 -1.494 -8.763 1.00 1.86 N ATOM 304 CD2 HIS A 90 1.478 0.133 -7.409 1.00 1.51 C ATOM 305 CE1 HIS A 90 0.728 -1.222 -8.957 1.00 2.42 C ATOM 306 NE2 HIS A 90 0.382 -0.239 -8.149 1.00 2.20 N ATOM 0 H HIS A 90 4.918 -3.271 -6.884 1.00 0.24 H new ATOM 0 HA HIS A 90 4.662 -1.437 -9.193 1.00 0.28 H new ATOM 0 HB2 HIS A 90 3.963 -1.009 -6.276 1.00 0.36 H new ATOM 0 HB3 HIS A 90 4.342 0.330 -7.342 1.00 0.36 H new ATOM 0 HD1 HIS A 90 2.537 -2.212 -9.256 1.00 1.86 H new ATOM 0 HD2 HIS A 90 1.509 0.912 -6.661 1.00 1.51 H new ATOM 0 HE1 HIS A 90 0.076 -1.721 -9.659 1.00 2.42 H new ATOM 0 HE2 HIS A 90 -0.547 0.177 -8.084 1.00 2.20 H new ATOM 315 N ASP A 91 7.026 -0.810 -8.898 1.00 0.39 N ATOM 316 CA ASP A 91 8.438 -0.467 -8.782 1.00 0.47 C ATOM 317 C ASP A 91 8.605 1.041 -8.668 1.00 0.45 C ATOM 318 O ASP A 91 7.966 1.801 -9.396 1.00 0.54 O ATOM 319 CB ASP A 91 9.228 -0.996 -9.986 1.00 0.65 C ATOM 320 CG ASP A 91 8.784 -0.376 -11.300 1.00 1.18 C ATOM 321 OD1 ASP A 91 7.725 -0.785 -11.825 1.00 1.83 O ATOM 322 OD2 ASP A 91 9.483 0.524 -11.808 1.00 1.73 O ATOM 0 H ASP A 91 6.635 -0.672 -9.830 1.00 0.39 H new ATOM 0 HA ASP A 91 8.831 -0.937 -7.880 1.00 0.47 H new ATOM 0 HB2 ASP A 91 10.289 -0.796 -9.835 1.00 0.65 H new ATOM 0 HB3 ASP A 91 9.113 -2.078 -10.043 1.00 0.65 H new ATOM 327 N PHE A 92 9.451 1.465 -7.743 1.00 0.40 N ATOM 328 CA PHE A 92 9.680 2.884 -7.509 1.00 0.43 C ATOM 329 C PHE A 92 11.147 3.141 -7.199 1.00 0.43 C ATOM 330 O PHE A 92 11.901 2.217 -6.891 1.00 0.45 O ATOM 331 CB PHE A 92 8.815 3.388 -6.347 1.00 0.44 C ATOM 332 CG PHE A 92 7.336 3.331 -6.615 1.00 0.55 C ATOM 333 CD1 PHE A 92 6.755 4.169 -7.554 1.00 0.83 C ATOM 334 CD2 PHE A 92 6.528 2.438 -5.930 1.00 0.53 C ATOM 335 CE1 PHE A 92 5.396 4.118 -7.803 1.00 0.97 C ATOM 336 CE2 PHE A 92 5.170 2.383 -6.175 1.00 0.68 C ATOM 337 CZ PHE A 92 4.603 3.223 -7.113 1.00 0.85 C ATOM 0 H PHE A 92 9.992 0.846 -7.140 1.00 0.40 H new ATOM 0 HA PHE A 92 9.405 3.424 -8.415 1.00 0.43 H new ATOM 0 HB2 PHE A 92 9.036 2.795 -5.459 1.00 0.44 H new ATOM 0 HB3 PHE A 92 9.093 4.417 -6.120 1.00 0.44 H new ATOM 0 HD1 PHE A 92 7.371 4.870 -8.097 1.00 0.83 H new ATOM 0 HD2 PHE A 92 6.965 1.777 -5.196 1.00 0.53 H new ATOM 0 HE1 PHE A 92 4.955 4.777 -8.536 1.00 0.97 H new ATOM 0 HE2 PHE A 92 4.551 1.683 -5.633 1.00 0.68 H new ATOM 0 HZ PHE A 92 3.541 3.180 -7.306 1.00 0.85 H new ATOM 347 N SER A 93 11.543 4.399 -7.294 1.00 0.48 N ATOM 348 CA SER A 93 12.898 4.811 -6.969 1.00 0.49 C ATOM 349 C SER A 93 13.056 4.918 -5.452 1.00 0.42 C ATOM 350 O SER A 93 12.095 5.215 -4.742 1.00 0.42 O ATOM 351 CB SER A 93 13.190 6.153 -7.638 1.00 0.63 C ATOM 352 OG SER A 93 12.946 6.084 -9.034 1.00 0.81 O ATOM 0 H SER A 93 10.937 5.161 -7.597 1.00 0.48 H new ATOM 0 HA SER A 93 13.608 4.071 -7.337 1.00 0.49 H new ATOM 0 HB2 SER A 93 12.567 6.929 -7.193 1.00 0.63 H new ATOM 0 HB3 SER A 93 14.227 6.435 -7.459 1.00 0.63 H new ATOM 0 HG SER A 93 13.137 6.954 -9.443 1.00 0.81 H new ATOM 358 N PRO A 94 14.275 4.681 -4.933 1.00 0.46 N ATOM 359 CA PRO A 94 14.527 4.603 -3.487 1.00 0.51 C ATOM 360 C PRO A 94 14.322 5.924 -2.756 1.00 0.52 C ATOM 361 O PRO A 94 14.420 5.977 -1.539 1.00 0.73 O ATOM 362 CB PRO A 94 15.994 4.179 -3.396 1.00 0.71 C ATOM 363 CG PRO A 94 16.595 4.620 -4.683 1.00 0.67 C ATOM 364 CD PRO A 94 15.510 4.465 -5.711 1.00 0.57 C ATOM 0 HA PRO A 94 13.828 3.915 -3.011 1.00 0.51 H new ATOM 0 HB2 PRO A 94 16.490 4.648 -2.546 1.00 0.71 H new ATOM 0 HB3 PRO A 94 16.087 3.101 -3.264 1.00 0.71 H new ATOM 0 HG2 PRO A 94 16.933 5.654 -4.623 1.00 0.67 H new ATOM 0 HG3 PRO A 94 17.465 4.014 -4.937 1.00 0.67 H new ATOM 0 HD2 PRO A 94 15.611 5.193 -6.516 1.00 0.57 H new ATOM 0 HD3 PRO A 94 15.529 3.477 -6.170 1.00 0.57 H new ATOM 372 N SER A 95 14.049 6.990 -3.484 1.00 0.47 N ATOM 373 CA SER A 95 13.808 8.275 -2.854 1.00 0.51 C ATOM 374 C SER A 95 12.326 8.623 -2.875 1.00 0.44 C ATOM 375 O SER A 95 11.928 9.723 -2.482 1.00 0.49 O ATOM 376 CB SER A 95 14.617 9.362 -3.545 1.00 0.62 C ATOM 377 OG SER A 95 15.989 9.008 -3.602 1.00 0.89 O ATOM 0 H SER A 95 13.989 6.993 -4.502 1.00 0.47 H new ATOM 0 HA SER A 95 14.126 8.208 -1.813 1.00 0.51 H new ATOM 0 HB2 SER A 95 14.235 9.520 -4.554 1.00 0.62 H new ATOM 0 HB3 SER A 95 14.502 10.304 -3.009 1.00 0.62 H new ATOM 0 HG SER A 95 16.492 9.719 -4.051 1.00 0.89 H new ATOM 383 N ASP A 96 11.512 7.684 -3.334 1.00 0.36 N ATOM 384 CA ASP A 96 10.069 7.871 -3.350 1.00 0.33 C ATOM 385 C ASP A 96 9.524 7.691 -1.942 1.00 0.26 C ATOM 386 O ASP A 96 10.263 7.320 -1.025 1.00 0.24 O ATOM 387 CB ASP A 96 9.412 6.875 -4.308 1.00 0.35 C ATOM 388 CG ASP A 96 8.281 7.498 -5.094 1.00 0.80 C ATOM 389 OD1 ASP A 96 7.286 7.932 -4.474 1.00 1.23 O ATOM 390 OD2 ASP A 96 8.376 7.558 -6.337 1.00 1.37 O ATOM 0 H ASP A 96 11.826 6.785 -3.700 1.00 0.36 H new ATOM 0 HA ASP A 96 9.840 8.878 -3.699 1.00 0.33 H new ATOM 0 HB2 ASP A 96 10.162 6.489 -4.998 1.00 0.35 H new ATOM 0 HB3 ASP A 96 9.033 6.025 -3.741 1.00 0.35 H new ATOM 395 N THR A 97 8.244 7.949 -1.760 1.00 0.28 N ATOM 396 CA THR A 97 7.645 7.856 -0.444 1.00 0.22 C ATOM 397 C THR A 97 6.430 6.949 -0.467 1.00 0.19 C ATOM 398 O THR A 97 5.752 6.817 -1.489 1.00 0.23 O ATOM 399 CB THR A 97 7.231 9.239 0.091 1.00 0.25 C ATOM 400 OG1 THR A 97 6.342 9.880 -0.830 1.00 0.32 O ATOM 401 CG2 THR A 97 8.450 10.117 0.324 1.00 0.31 C ATOM 0 H THR A 97 7.601 8.223 -2.503 1.00 0.28 H new ATOM 0 HA THR A 97 8.401 7.436 0.219 1.00 0.22 H new ATOM 0 HB THR A 97 6.720 9.095 1.043 1.00 0.25 H new ATOM 0 HG1 THR A 97 6.084 10.758 -0.479 1.00 0.32 H new ATOM 0 HG21 THR A 97 8.132 11.089 0.702 1.00 0.31 H new ATOM 0 HG22 THR A 97 9.107 9.642 1.053 1.00 0.31 H new ATOM 0 HG23 THR A 97 8.987 10.251 -0.615 1.00 0.31 H new ATOM 409 N ILE A 98 6.165 6.324 0.671 1.00 0.17 N ATOM 410 CA ILE A 98 5.012 5.455 0.824 1.00 0.18 C ATOM 411 C ILE A 98 3.713 6.227 0.596 1.00 0.18 C ATOM 412 O ILE A 98 2.717 5.656 0.165 1.00 0.20 O ATOM 413 CB ILE A 98 4.995 4.789 2.221 1.00 0.18 C ATOM 414 CG1 ILE A 98 6.234 3.911 2.416 1.00 0.19 C ATOM 415 CG2 ILE A 98 3.736 3.959 2.410 1.00 0.24 C ATOM 416 CD1 ILE A 98 6.327 2.764 1.432 1.00 0.22 C ATOM 0 H ILE A 98 6.741 6.405 1.509 1.00 0.17 H new ATOM 0 HA ILE A 98 5.090 4.672 0.070 1.00 0.18 H new ATOM 0 HB ILE A 98 5.004 5.581 2.969 1.00 0.18 H new ATOM 0 HG12 ILE A 98 7.126 4.531 2.324 1.00 0.19 H new ATOM 0 HG13 ILE A 98 6.228 3.509 3.429 1.00 0.19 H new ATOM 0 HG21 ILE A 98 3.747 3.501 3.399 1.00 0.24 H new ATOM 0 HG22 ILE A 98 2.860 4.601 2.317 1.00 0.24 H new ATOM 0 HG23 ILE A 98 3.697 3.179 1.650 1.00 0.24 H new ATOM 0 HD11 ILE A 98 7.230 2.186 1.631 1.00 0.22 H new ATOM 0 HD12 ILE A 98 5.453 2.121 1.539 1.00 0.22 H new ATOM 0 HD13 ILE A 98 6.365 3.158 0.416 1.00 0.22 H new ATOM 428 N LEU A 99 3.733 7.529 0.866 1.00 0.19 N ATOM 429 CA LEU A 99 2.560 8.368 0.654 1.00 0.21 C ATOM 430 C LEU A 99 2.226 8.431 -0.829 1.00 0.20 C ATOM 431 O LEU A 99 1.056 8.420 -1.203 1.00 0.21 O ATOM 432 CB LEU A 99 2.783 9.777 1.227 1.00 0.27 C ATOM 433 CG LEU A 99 1.517 10.626 1.416 1.00 0.36 C ATOM 434 CD1 LEU A 99 1.715 11.623 2.546 1.00 0.71 C ATOM 435 CD2 LEU A 99 1.151 11.369 0.144 1.00 0.64 C ATOM 0 H LEU A 99 4.547 8.024 1.231 1.00 0.19 H new ATOM 0 HA LEU A 99 1.715 7.926 1.182 1.00 0.21 H new ATOM 0 HB2 LEU A 99 3.282 9.682 2.191 1.00 0.27 H new ATOM 0 HB3 LEU A 99 3.464 10.314 0.567 1.00 0.27 H new ATOM 0 HG LEU A 99 0.701 9.948 1.665 1.00 0.36 H new ATOM 0 HD11 LEU A 99 0.810 12.218 2.669 1.00 0.71 H new ATOM 0 HD12 LEU A 99 1.925 11.087 3.471 1.00 0.71 H new ATOM 0 HD13 LEU A 99 2.552 12.280 2.309 1.00 0.71 H new ATOM 0 HD21 LEU A 99 0.251 11.959 0.314 1.00 0.64 H new ATOM 0 HD22 LEU A 99 1.970 12.030 -0.140 1.00 0.64 H new ATOM 0 HD23 LEU A 99 0.969 10.652 -0.657 1.00 0.64 H new ATOM 447 N GLN A 100 3.250 8.460 -1.677 1.00 0.20 N ATOM 448 CA GLN A 100 3.027 8.483 -3.114 1.00 0.21 C ATOM 449 C GLN A 100 2.490 7.137 -3.588 1.00 0.15 C ATOM 450 O GLN A 100 1.699 7.071 -4.526 1.00 0.13 O ATOM 451 CB GLN A 100 4.310 8.838 -3.868 1.00 0.29 C ATOM 452 CG GLN A 100 4.849 10.226 -3.556 1.00 0.39 C ATOM 453 CD GLN A 100 3.798 11.311 -3.674 1.00 0.45 C ATOM 454 OE1 GLN A 100 3.579 11.871 -4.747 1.00 0.70 O ATOM 455 NE2 GLN A 100 3.159 11.632 -2.562 1.00 0.53 N ATOM 0 H GLN A 100 4.230 8.468 -1.396 1.00 0.20 H new ATOM 0 HA GLN A 100 2.287 9.254 -3.327 1.00 0.21 H new ATOM 0 HB2 GLN A 100 5.076 8.100 -3.628 1.00 0.29 H new ATOM 0 HB3 GLN A 100 4.121 8.765 -4.939 1.00 0.29 H new ATOM 0 HG2 GLN A 100 5.257 10.232 -2.545 1.00 0.39 H new ATOM 0 HG3 GLN A 100 5.672 10.451 -4.234 1.00 0.39 H new ATOM 0 HE21 GLN A 100 3.371 11.142 -1.693 1.00 0.53 H new ATOM 0 HE22 GLN A 100 2.454 12.369 -2.573 1.00 0.53 H new ATOM 464 N ILE A 101 2.921 6.063 -2.934 1.00 0.13 N ATOM 465 CA ILE A 101 2.412 4.730 -3.242 1.00 0.12 C ATOM 466 C ILE A 101 0.961 4.611 -2.787 1.00 0.10 C ATOM 467 O ILE A 101 0.111 4.077 -3.499 1.00 0.11 O ATOM 468 CB ILE A 101 3.251 3.623 -2.561 1.00 0.15 C ATOM 469 CG1 ILE A 101 4.733 3.785 -2.911 1.00 0.17 C ATOM 470 CG2 ILE A 101 2.753 2.244 -2.979 1.00 0.20 C ATOM 471 CD1 ILE A 101 5.624 2.730 -2.293 1.00 0.21 C ATOM 0 H ILE A 101 3.619 6.088 -2.190 1.00 0.13 H new ATOM 0 HA ILE A 101 2.480 4.594 -4.321 1.00 0.12 H new ATOM 0 HB ILE A 101 3.138 3.718 -1.481 1.00 0.15 H new ATOM 0 HG12 ILE A 101 4.847 3.754 -3.995 1.00 0.17 H new ATOM 0 HG13 ILE A 101 5.069 4.769 -2.583 1.00 0.17 H new ATOM 0 HG21 ILE A 101 3.354 1.477 -2.491 1.00 0.20 H new ATOM 0 HG22 ILE A 101 1.710 2.129 -2.685 1.00 0.20 H new ATOM 0 HG23 ILE A 101 2.839 2.139 -4.061 1.00 0.20 H new ATOM 0 HD11 ILE A 101 6.658 2.910 -2.586 1.00 0.21 H new ATOM 0 HD12 ILE A 101 5.541 2.774 -1.207 1.00 0.21 H new ATOM 0 HD13 ILE A 101 5.315 1.744 -2.640 1.00 0.21 H new ATOM 483 N LYS A 102 0.692 5.134 -1.600 1.00 0.13 N ATOM 484 CA LYS A 102 -0.650 5.147 -1.037 1.00 0.17 C ATOM 485 C LYS A 102 -1.600 5.960 -1.911 1.00 0.15 C ATOM 486 O LYS A 102 -2.672 5.484 -2.285 1.00 0.17 O ATOM 487 CB LYS A 102 -0.611 5.712 0.383 1.00 0.28 C ATOM 488 CG LYS A 102 -0.076 4.734 1.420 1.00 0.50 C ATOM 489 CD LYS A 102 0.095 5.401 2.777 1.00 0.94 C ATOM 490 CE LYS A 102 -0.023 4.403 3.916 1.00 0.81 C ATOM 491 NZ LYS A 102 1.035 3.363 3.874 1.00 0.83 N ATOM 0 H LYS A 102 1.398 5.561 -1.000 1.00 0.13 H new ATOM 0 HA LYS A 102 -1.022 4.123 -1.002 1.00 0.17 H new ATOM 0 HB2 LYS A 102 0.008 6.609 0.390 1.00 0.28 H new ATOM 0 HB3 LYS A 102 -1.617 6.017 0.670 1.00 0.28 H new ATOM 0 HG2 LYS A 102 -0.759 3.889 1.512 1.00 0.50 H new ATOM 0 HG3 LYS A 102 0.882 4.335 1.086 1.00 0.50 H new ATOM 0 HD2 LYS A 102 1.068 5.890 2.822 1.00 0.94 H new ATOM 0 HD3 LYS A 102 -0.658 6.180 2.897 1.00 0.94 H new ATOM 0 HE2 LYS A 102 0.032 4.934 4.867 1.00 0.81 H new ATOM 0 HE3 LYS A 102 -1.001 3.923 3.874 1.00 0.81 H new ATOM 0 HZ1 LYS A 102 0.694 2.502 4.347 1.00 0.83 H new ATOM 0 HZ2 LYS A 102 1.269 3.145 2.884 1.00 0.83 H new ATOM 0 HZ3 LYS A 102 1.885 3.712 4.362 1.00 0.83 H new ATOM 505 N GLN A 103 -1.194 7.181 -2.250 1.00 0.14 N ATOM 506 CA GLN A 103 -1.966 8.030 -3.155 1.00 0.14 C ATOM 507 C GLN A 103 -2.163 7.339 -4.489 1.00 0.13 C ATOM 508 O GLN A 103 -3.171 7.536 -5.168 1.00 0.16 O ATOM 509 CB GLN A 103 -1.250 9.356 -3.387 1.00 0.17 C ATOM 510 CG GLN A 103 -1.319 10.305 -2.204 1.00 0.23 C ATOM 511 CD GLN A 103 -2.601 11.109 -2.189 1.00 0.33 C ATOM 512 OE1 GLN A 103 -3.619 10.585 -1.531 1.00 0.83 O flip ATOM 513 NE2 GLN A 103 -2.676 12.193 -2.767 1.00 0.45 N flip ATOM 0 H GLN A 103 -0.331 7.606 -1.910 1.00 0.14 H new ATOM 0 HA GLN A 103 -2.936 8.217 -2.693 1.00 0.14 H new ATOM 0 HB2 GLN A 103 -0.204 9.157 -3.621 1.00 0.17 H new ATOM 0 HB3 GLN A 103 -1.684 9.845 -4.259 1.00 0.17 H new ATOM 0 HG2 GLN A 103 -1.239 9.735 -1.278 1.00 0.23 H new ATOM 0 HG3 GLN A 103 -0.467 10.984 -2.235 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -1.866 12.563 -3.264 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -3.548 12.721 -2.749 1.00 0.45 H new ATOM 522 N HIS A 104 -1.202 6.506 -4.842 1.00 0.12 N ATOM 523 CA HIS A 104 -1.227 5.831 -6.130 1.00 0.12 C ATOM 524 C HIS A 104 -2.309 4.774 -6.116 1.00 0.12 C ATOM 525 O HIS A 104 -3.103 4.678 -7.047 1.00 0.18 O ATOM 526 CB HIS A 104 0.123 5.188 -6.459 1.00 0.14 C ATOM 527 CG HIS A 104 0.278 4.838 -7.911 1.00 0.22 C ATOM 528 ND1 HIS A 104 -0.228 3.684 -8.480 1.00 1.21 N ATOM 529 CD2 HIS A 104 0.883 5.513 -8.915 1.00 0.98 C ATOM 530 CE1 HIS A 104 0.065 3.670 -9.767 1.00 0.95 C ATOM 531 NE2 HIS A 104 0.735 4.766 -10.055 1.00 0.54 N ATOM 0 H HIS A 104 -0.396 6.280 -4.259 1.00 0.12 H new ATOM 0 HA HIS A 104 -1.435 6.573 -6.901 1.00 0.12 H new ATOM 0 HB2 HIS A 104 0.922 5.870 -6.170 1.00 0.14 H new ATOM 0 HB3 HIS A 104 0.243 4.285 -5.860 1.00 0.14 H new ATOM 0 HD1 HIS A 104 -0.746 2.958 -7.984 1.00 1.21 H new ATOM 0 HD2 HIS A 104 1.389 6.464 -8.834 1.00 0.98 H new ATOM 0 HE1 HIS A 104 -0.200 2.891 -10.466 1.00 0.95 H new ATOM 540 N LEU A 105 -2.348 4.001 -5.041 1.00 0.11 N ATOM 541 CA LEU A 105 -3.348 2.960 -4.891 1.00 0.12 C ATOM 542 C LEU A 105 -4.740 3.576 -4.813 1.00 0.13 C ATOM 543 O LEU A 105 -5.703 3.017 -5.333 1.00 0.18 O ATOM 544 CB LEU A 105 -3.052 2.105 -3.656 1.00 0.13 C ATOM 545 CG LEU A 105 -1.685 1.408 -3.668 1.00 0.14 C ATOM 546 CD1 LEU A 105 -1.568 0.435 -2.509 1.00 0.17 C ATOM 547 CD2 LEU A 105 -1.460 0.691 -4.990 1.00 0.18 C ATOM 0 H LEU A 105 -1.697 4.077 -4.260 1.00 0.11 H new ATOM 0 HA LEU A 105 -3.312 2.308 -5.764 1.00 0.12 H new ATOM 0 HB2 LEU A 105 -3.114 2.737 -2.770 1.00 0.13 H new ATOM 0 HB3 LEU A 105 -3.830 1.347 -3.561 1.00 0.13 H new ATOM 0 HG LEU A 105 -0.914 2.170 -3.555 1.00 0.14 H new ATOM 0 HD11 LEU A 105 -0.591 -0.048 -2.537 1.00 0.17 H new ATOM 0 HD12 LEU A 105 -1.680 0.974 -1.568 1.00 0.17 H new ATOM 0 HD13 LEU A 105 -2.349 -0.321 -2.588 1.00 0.17 H new ATOM 0 HD21 LEU A 105 -0.485 0.203 -4.978 1.00 0.18 H new ATOM 0 HD22 LEU A 105 -2.239 -0.058 -5.135 1.00 0.18 H new ATOM 0 HD23 LEU A 105 -1.495 1.413 -5.806 1.00 0.18 H new ATOM 559 N ILE A 106 -4.842 4.741 -4.188 1.00 0.11 N ATOM 560 CA ILE A 106 -6.094 5.488 -4.187 1.00 0.13 C ATOM 561 C ILE A 106 -6.491 5.851 -5.612 1.00 0.14 C ATOM 562 O ILE A 106 -7.620 5.599 -6.042 1.00 0.17 O ATOM 563 CB ILE A 106 -5.989 6.791 -3.371 1.00 0.13 C ATOM 564 CG1 ILE A 106 -5.592 6.499 -1.927 1.00 0.14 C ATOM 565 CG2 ILE A 106 -7.307 7.553 -3.412 1.00 0.16 C ATOM 566 CD1 ILE A 106 -5.366 7.751 -1.111 1.00 0.15 C ATOM 0 H ILE A 106 -4.079 5.187 -3.678 1.00 0.11 H new ATOM 0 HA ILE A 106 -6.845 4.844 -3.729 1.00 0.13 H new ATOM 0 HB ILE A 106 -5.212 7.410 -3.821 1.00 0.13 H new ATOM 0 HG12 ILE A 106 -6.372 5.901 -1.456 1.00 0.14 H new ATOM 0 HG13 ILE A 106 -4.682 5.899 -1.921 1.00 0.14 H new ATOM 0 HG21 ILE A 106 -7.215 8.470 -2.831 1.00 0.16 H new ATOM 0 HG22 ILE A 106 -7.552 7.801 -4.445 1.00 0.16 H new ATOM 0 HG23 ILE A 106 -8.099 6.934 -2.990 1.00 0.16 H new ATOM 0 HD11 ILE A 106 -5.086 7.477 -0.094 1.00 0.15 H new ATOM 0 HD12 ILE A 106 -4.566 8.339 -1.561 1.00 0.15 H new ATOM 0 HD13 ILE A 106 -6.282 8.341 -1.089 1.00 0.15 H new ATOM 578 N SER A 107 -5.542 6.423 -6.346 1.00 0.13 N ATOM 579 CA SER A 107 -5.798 6.922 -7.686 1.00 0.17 C ATOM 580 C SER A 107 -6.122 5.782 -8.661 1.00 0.18 C ATOM 581 O SER A 107 -6.770 6.000 -9.685 1.00 0.27 O ATOM 582 CB SER A 107 -4.597 7.751 -8.173 1.00 0.23 C ATOM 583 OG SER A 107 -3.434 6.954 -8.328 1.00 0.61 O ATOM 0 H SER A 107 -4.581 6.552 -6.029 1.00 0.13 H new ATOM 0 HA SER A 107 -6.676 7.567 -7.651 1.00 0.17 H new ATOM 0 HB2 SER A 107 -4.843 8.223 -9.124 1.00 0.23 H new ATOM 0 HB3 SER A 107 -4.396 8.552 -7.462 1.00 0.23 H new ATOM 0 HG SER A 107 -3.515 6.146 -7.779 1.00 0.61 H new ATOM 589 N GLU A 108 -5.692 4.561 -8.338 1.00 0.16 N ATOM 590 CA GLU A 108 -5.991 3.408 -9.182 1.00 0.17 C ATOM 591 C GLU A 108 -7.091 2.538 -8.568 1.00 0.17 C ATOM 592 O GLU A 108 -7.192 1.346 -8.868 1.00 0.21 O ATOM 593 CB GLU A 108 -4.731 2.577 -9.464 1.00 0.20 C ATOM 594 CG GLU A 108 -3.991 2.121 -8.220 1.00 0.22 C ATOM 595 CD GLU A 108 -2.909 1.104 -8.524 1.00 0.28 C ATOM 596 OE1 GLU A 108 -3.246 0.011 -9.023 1.00 0.35 O ATOM 597 OE2 GLU A 108 -1.718 1.396 -8.263 1.00 0.42 O ATOM 0 H GLU A 108 -5.141 4.348 -7.506 1.00 0.16 H new ATOM 0 HA GLU A 108 -6.358 3.791 -10.134 1.00 0.17 H new ATOM 0 HB2 GLU A 108 -5.012 1.700 -10.047 1.00 0.20 H new ATOM 0 HB3 GLU A 108 -4.052 3.166 -10.081 1.00 0.20 H new ATOM 0 HG2 GLU A 108 -3.544 2.986 -7.730 1.00 0.22 H new ATOM 0 HG3 GLU A 108 -4.703 1.689 -7.516 1.00 0.22 H new ATOM 604 N GLU A 109 -7.898 3.154 -7.703 1.00 0.16 N ATOM 605 CA GLU A 109 -9.097 2.523 -7.135 1.00 0.19 C ATOM 606 C GLU A 109 -8.773 1.239 -6.369 1.00 0.20 C ATOM 607 O GLU A 109 -9.536 0.273 -6.402 1.00 0.30 O ATOM 608 CB GLU A 109 -10.121 2.234 -8.234 1.00 0.24 C ATOM 609 CG GLU A 109 -10.548 3.472 -9.009 1.00 0.31 C ATOM 610 CD GLU A 109 -11.599 3.169 -10.053 1.00 1.02 C ATOM 611 OE1 GLU A 109 -11.231 2.752 -11.173 1.00 1.86 O ATOM 612 OE2 GLU A 109 -12.800 3.335 -9.757 1.00 0.95 O ATOM 0 H GLU A 109 -7.741 4.107 -7.374 1.00 0.16 H new ATOM 0 HA GLU A 109 -9.520 3.230 -6.421 1.00 0.19 H new ATOM 0 HB2 GLU A 109 -9.700 1.507 -8.929 1.00 0.24 H new ATOM 0 HB3 GLU A 109 -11.002 1.774 -7.786 1.00 0.24 H new ATOM 0 HG2 GLU A 109 -10.936 4.216 -8.313 1.00 0.31 H new ATOM 0 HG3 GLU A 109 -9.676 3.912 -9.493 1.00 0.31 H new ATOM 619 N LYS A 110 -7.649 1.240 -5.674 1.00 0.15 N ATOM 620 CA LYS A 110 -7.240 0.090 -4.879 1.00 0.17 C ATOM 621 C LYS A 110 -7.500 0.337 -3.396 1.00 0.19 C ATOM 622 O LYS A 110 -7.398 -0.580 -2.575 1.00 0.27 O ATOM 623 CB LYS A 110 -5.755 -0.203 -5.100 1.00 0.21 C ATOM 624 CG LYS A 110 -5.402 -0.605 -6.522 1.00 0.23 C ATOM 625 CD LYS A 110 -6.105 -1.877 -6.956 1.00 0.23 C ATOM 626 CE LYS A 110 -5.633 -2.321 -8.331 1.00 0.36 C ATOM 627 NZ LYS A 110 -5.681 -1.214 -9.323 1.00 1.22 N ATOM 0 H LYS A 110 -7.000 2.026 -5.643 1.00 0.15 H new ATOM 0 HA LYS A 110 -7.828 -0.770 -5.198 1.00 0.17 H new ATOM 0 HB2 LYS A 110 -5.178 0.682 -4.831 1.00 0.21 H new ATOM 0 HB3 LYS A 110 -5.449 -1.001 -4.423 1.00 0.21 H new ATOM 0 HG2 LYS A 110 -5.669 0.204 -7.202 1.00 0.23 H new ATOM 0 HG3 LYS A 110 -4.324 -0.745 -6.600 1.00 0.23 H new ATOM 0 HD2 LYS A 110 -5.915 -2.667 -6.230 1.00 0.23 H new ATOM 0 HD3 LYS A 110 -7.182 -1.713 -6.973 1.00 0.23 H new ATOM 0 HE2 LYS A 110 -4.613 -2.699 -8.259 1.00 0.36 H new ATOM 0 HE3 LYS A 110 -6.255 -3.146 -8.678 1.00 0.36 H new ATOM 0 HZ1 LYS A 110 -5.989 -1.586 -10.244 1.00 1.22 H new ATOM 0 HZ2 LYS A 110 -6.353 -0.488 -9.001 1.00 1.22 H new ATOM 0 HZ3 LYS A 110 -4.735 -0.792 -9.419 1.00 1.22 H new ATOM 641 N ALA A 111 -7.839 1.580 -3.059 1.00 0.16 N ATOM 642 CA ALA A 111 -8.073 1.963 -1.673 1.00 0.18 C ATOM 643 C ALA A 111 -8.864 3.258 -1.581 1.00 0.19 C ATOM 644 O ALA A 111 -9.072 3.943 -2.584 1.00 0.29 O ATOM 645 CB ALA A 111 -6.754 2.118 -0.938 1.00 0.20 C ATOM 0 H ALA A 111 -7.957 2.339 -3.730 1.00 0.16 H new ATOM 0 HA ALA A 111 -8.657 1.170 -1.206 1.00 0.18 H new ATOM 0 HB1 ALA A 111 -6.945 2.404 0.096 1.00 0.20 H new ATOM 0 HB2 ALA A 111 -6.213 1.172 -0.958 1.00 0.20 H new ATOM 0 HB3 ALA A 111 -6.156 2.889 -1.423 1.00 0.20 H new ATOM 651 N SER A 112 -9.288 3.591 -0.369 1.00 0.21 N ATOM 652 CA SER A 112 -10.053 4.804 -0.126 1.00 0.23 C ATOM 653 C SER A 112 -9.127 5.987 0.152 1.00 0.21 C ATOM 654 O SER A 112 -9.123 6.972 -0.587 1.00 0.26 O ATOM 655 CB SER A 112 -11.000 4.578 1.052 1.00 0.29 C ATOM 656 OG SER A 112 -11.818 3.445 0.824 1.00 1.23 O ATOM 0 H SER A 112 -9.113 3.032 0.466 1.00 0.21 H new ATOM 0 HA SER A 112 -10.634 5.039 -1.017 1.00 0.23 H new ATOM 0 HB2 SER A 112 -10.424 4.439 1.967 1.00 0.29 H new ATOM 0 HB3 SER A 112 -11.624 5.460 1.199 1.00 0.29 H new ATOM 0 HG SER A 112 -12.417 3.314 1.589 1.00 1.23 H new ATOM 662 N HIS A 113 -8.338 5.885 1.214 1.00 0.16 N ATOM 663 CA HIS A 113 -7.414 6.948 1.592 1.00 0.16 C ATOM 664 C HIS A 113 -6.046 6.358 1.914 1.00 0.14 C ATOM 665 O HIS A 113 -5.906 5.138 1.985 1.00 0.15 O ATOM 666 CB HIS A 113 -7.950 7.749 2.782 1.00 0.21 C ATOM 667 CG HIS A 113 -9.151 8.586 2.456 1.00 0.44 C ATOM 668 ND1 HIS A 113 -9.073 9.923 2.136 1.00 1.47 N ATOM 669 CD2 HIS A 113 -10.464 8.265 2.395 1.00 0.75 C ATOM 670 CE1 HIS A 113 -10.285 10.385 1.895 1.00 1.47 C ATOM 671 NE2 HIS A 113 -11.150 9.400 2.043 1.00 0.73 N ATOM 0 H HIS A 113 -8.319 5.073 1.832 1.00 0.16 H new ATOM 0 HA HIS A 113 -7.315 7.633 0.750 1.00 0.16 H new ATOM 0 HB2 HIS A 113 -8.207 7.059 3.586 1.00 0.21 H new ATOM 0 HB3 HIS A 113 -7.158 8.397 3.158 1.00 0.21 H new ATOM 0 HD2 HIS A 113 -10.894 7.293 2.588 1.00 0.75 H new ATOM 0 HE1 HIS A 113 -10.529 11.401 1.622 1.00 1.47 H new ATOM 0 HE2 HIS A 113 -12.160 9.470 1.917 1.00 0.73 H new ATOM 680 N ILE A 114 -5.048 7.218 2.109 1.00 0.15 N ATOM 681 CA ILE A 114 -3.662 6.770 2.254 1.00 0.17 C ATOM 682 C ILE A 114 -3.494 5.772 3.417 1.00 0.16 C ATOM 683 O ILE A 114 -2.966 4.679 3.228 1.00 0.26 O ATOM 684 CB ILE A 114 -2.681 7.966 2.423 1.00 0.18 C ATOM 685 CG1 ILE A 114 -2.996 8.798 3.675 1.00 0.18 C ATOM 686 CG2 ILE A 114 -2.707 8.845 1.183 1.00 0.22 C ATOM 687 CD1 ILE A 114 -2.095 10.004 3.849 1.00 0.23 C ATOM 0 H ILE A 114 -5.172 8.229 2.170 1.00 0.15 H new ATOM 0 HA ILE A 114 -3.411 6.252 1.328 1.00 0.17 H new ATOM 0 HB ILE A 114 -1.680 7.554 2.551 1.00 0.18 H new ATOM 0 HG12 ILE A 114 -4.032 9.134 3.626 1.00 0.18 H new ATOM 0 HG13 ILE A 114 -2.909 8.161 4.555 1.00 0.18 H new ATOM 0 HG21 ILE A 114 -2.017 9.678 1.313 1.00 0.22 H new ATOM 0 HG22 ILE A 114 -2.408 8.258 0.315 1.00 0.22 H new ATOM 0 HG23 ILE A 114 -3.715 9.230 1.031 1.00 0.22 H new ATOM 0 HD11 ILE A 114 -2.378 10.542 4.754 1.00 0.23 H new ATOM 0 HD12 ILE A 114 -1.059 9.675 3.931 1.00 0.23 H new ATOM 0 HD13 ILE A 114 -2.199 10.663 2.987 1.00 0.23 H new ATOM 699 N SER A 115 -3.978 6.131 4.603 1.00 0.14 N ATOM 700 CA SER A 115 -3.796 5.309 5.800 1.00 0.20 C ATOM 701 C SER A 115 -4.680 4.054 5.778 1.00 0.18 C ATOM 702 O SER A 115 -4.531 3.170 6.624 1.00 0.27 O ATOM 703 CB SER A 115 -4.086 6.139 7.056 1.00 0.29 C ATOM 704 OG SER A 115 -3.691 5.450 8.233 1.00 1.50 O ATOM 0 H SER A 115 -4.503 6.991 4.763 1.00 0.14 H new ATOM 0 HA SER A 115 -2.758 4.976 5.815 1.00 0.20 H new ATOM 0 HB2 SER A 115 -3.558 7.091 6.995 1.00 0.29 H new ATOM 0 HB3 SER A 115 -5.151 6.367 7.106 1.00 0.29 H new ATOM 0 HG SER A 115 -3.860 4.491 8.123 1.00 1.50 H new ATOM 710 N GLU A 116 -5.587 3.963 4.807 1.00 0.14 N ATOM 711 CA GLU A 116 -6.416 2.765 4.655 1.00 0.13 C ATOM 712 C GLU A 116 -5.588 1.649 4.029 1.00 0.11 C ATOM 713 O GLU A 116 -6.049 0.508 3.872 1.00 0.15 O ATOM 714 CB GLU A 116 -7.644 3.059 3.792 1.00 0.20 C ATOM 715 CG GLU A 116 -8.528 4.162 4.352 1.00 0.36 C ATOM 716 CD GLU A 116 -8.991 3.873 5.763 1.00 0.47 C ATOM 717 OE1 GLU A 116 -9.892 3.028 5.936 1.00 0.53 O ATOM 718 OE2 GLU A 116 -8.458 4.494 6.704 1.00 0.80 O ATOM 0 H GLU A 116 -5.767 4.695 4.120 1.00 0.14 H new ATOM 0 HA GLU A 116 -6.762 2.451 5.640 1.00 0.13 H new ATOM 0 HB2 GLU A 116 -7.316 3.340 2.791 1.00 0.20 H new ATOM 0 HB3 GLU A 116 -8.234 2.148 3.690 1.00 0.20 H new ATOM 0 HG2 GLU A 116 -7.980 5.104 4.339 1.00 0.36 H new ATOM 0 HG3 GLU A 116 -9.397 4.289 3.707 1.00 0.36 H new ATOM 725 N ILE A 117 -4.363 2.018 3.676 1.00 0.11 N ATOM 726 CA ILE A 117 -3.379 1.114 3.121 1.00 0.12 C ATOM 727 C ILE A 117 -2.272 0.874 4.139 1.00 0.16 C ATOM 728 O ILE A 117 -1.424 1.740 4.356 1.00 0.26 O ATOM 729 CB ILE A 117 -2.747 1.728 1.858 1.00 0.12 C ATOM 730 CG1 ILE A 117 -3.832 2.090 0.847 1.00 0.12 C ATOM 731 CG2 ILE A 117 -1.730 0.777 1.243 1.00 0.16 C ATOM 732 CD1 ILE A 117 -3.352 3.014 -0.246 1.00 0.14 C ATOM 0 H ILE A 117 -4.025 2.975 3.772 1.00 0.11 H new ATOM 0 HA ILE A 117 -3.874 0.176 2.870 1.00 0.12 H new ATOM 0 HB ILE A 117 -2.222 2.640 2.143 1.00 0.12 H new ATOM 0 HG12 ILE A 117 -4.217 1.175 0.396 1.00 0.12 H new ATOM 0 HG13 ILE A 117 -4.663 2.561 1.371 1.00 0.12 H new ATOM 0 HG21 ILE A 117 -1.298 1.233 0.352 1.00 0.16 H new ATOM 0 HG22 ILE A 117 -0.940 0.572 1.966 1.00 0.16 H new ATOM 0 HG23 ILE A 117 -2.223 -0.156 0.970 1.00 0.16 H new ATOM 0 HD11 ILE A 117 -4.175 3.229 -0.928 1.00 0.14 H new ATOM 0 HD12 ILE A 117 -2.994 3.944 0.195 1.00 0.14 H new ATOM 0 HD13 ILE A 117 -2.540 2.537 -0.795 1.00 0.14 H new ATOM 744 N LYS A 118 -2.270 -0.285 4.764 1.00 0.20 N ATOM 745 CA LYS A 118 -1.252 -0.592 5.752 1.00 0.26 C ATOM 746 C LYS A 118 -0.158 -1.430 5.102 1.00 0.17 C ATOM 747 O LYS A 118 -0.389 -2.569 4.720 1.00 0.19 O ATOM 748 CB LYS A 118 -1.878 -1.358 6.925 1.00 0.41 C ATOM 749 CG LYS A 118 -1.315 -1.017 8.305 1.00 0.53 C ATOM 750 CD LYS A 118 0.173 -1.316 8.428 1.00 0.35 C ATOM 751 CE LYS A 118 1.019 -0.071 8.216 1.00 0.71 C ATOM 752 NZ LYS A 118 0.728 0.983 9.228 1.00 1.01 N ATOM 0 H LYS A 118 -2.954 -1.025 4.609 1.00 0.20 H new ATOM 0 HA LYS A 118 -0.819 0.334 6.131 1.00 0.26 H new ATOM 0 HB2 LYS A 118 -2.951 -1.166 6.931 1.00 0.41 H new ATOM 0 HB3 LYS A 118 -1.746 -2.426 6.751 1.00 0.41 H new ATOM 0 HG2 LYS A 118 -1.486 0.040 8.511 1.00 0.53 H new ATOM 0 HG3 LYS A 118 -1.858 -1.582 9.063 1.00 0.53 H new ATOM 0 HD2 LYS A 118 0.380 -1.732 9.414 1.00 0.35 H new ATOM 0 HD3 LYS A 118 0.453 -2.074 7.697 1.00 0.35 H new ATOM 0 HE2 LYS A 118 2.075 -0.338 8.264 1.00 0.71 H new ATOM 0 HE3 LYS A 118 0.836 0.325 7.217 1.00 0.71 H new ATOM 0 HZ1 LYS A 118 1.584 1.550 9.395 1.00 1.01 H new ATOM 0 HZ2 LYS A 118 -0.033 1.600 8.878 1.00 1.01 H new ATOM 0 HZ3 LYS A 118 0.430 0.536 10.118 1.00 1.01 H new ATOM 766 N LEU A 119 1.032 -0.868 4.984 1.00 0.20 N ATOM 767 CA LEU A 119 2.149 -1.584 4.388 1.00 0.19 C ATOM 768 C LEU A 119 3.092 -2.088 5.470 1.00 0.17 C ATOM 769 O LEU A 119 3.444 -1.351 6.390 1.00 0.19 O ATOM 770 CB LEU A 119 2.899 -0.690 3.391 1.00 0.27 C ATOM 771 CG LEU A 119 2.246 -0.555 2.008 1.00 0.26 C ATOM 772 CD1 LEU A 119 3.006 0.440 1.144 1.00 0.69 C ATOM 773 CD2 LEU A 119 2.198 -1.904 1.319 1.00 0.73 C ATOM 0 H LEU A 119 1.251 0.080 5.292 1.00 0.20 H new ATOM 0 HA LEU A 119 1.756 -2.442 3.844 1.00 0.19 H new ATOM 0 HB2 LEU A 119 3.000 0.305 3.825 1.00 0.27 H new ATOM 0 HB3 LEU A 119 3.907 -1.085 3.261 1.00 0.27 H new ATOM 0 HG LEU A 119 1.230 -0.186 2.147 1.00 0.26 H new ATOM 0 HD11 LEU A 119 2.524 0.518 0.169 1.00 0.69 H new ATOM 0 HD12 LEU A 119 3.006 1.417 1.628 1.00 0.69 H new ATOM 0 HD13 LEU A 119 4.033 0.099 1.014 1.00 0.69 H new ATOM 0 HD21 LEU A 119 1.733 -1.796 0.339 1.00 0.73 H new ATOM 0 HD22 LEU A 119 3.211 -2.288 1.199 1.00 0.73 H new ATOM 0 HD23 LEU A 119 1.615 -2.600 1.922 1.00 0.73 H new ATOM 785 N LEU A 120 3.464 -3.355 5.377 1.00 0.16 N ATOM 786 CA LEU A 120 4.387 -3.952 6.329 1.00 0.15 C ATOM 787 C LEU A 120 5.519 -4.653 5.592 1.00 0.18 C ATOM 788 O LEU A 120 5.286 -5.418 4.649 1.00 0.23 O ATOM 789 CB LEU A 120 3.674 -4.954 7.253 1.00 0.17 C ATOM 790 CG LEU A 120 2.438 -4.425 7.998 1.00 0.18 C ATOM 791 CD1 LEU A 120 1.187 -4.557 7.139 1.00 0.21 C ATOM 792 CD2 LEU A 120 2.254 -5.156 9.318 1.00 0.22 C ATOM 0 H LEU A 120 3.139 -3.992 4.649 1.00 0.16 H new ATOM 0 HA LEU A 120 4.793 -3.149 6.945 1.00 0.15 H new ATOM 0 HB2 LEU A 120 3.373 -5.816 6.657 1.00 0.17 H new ATOM 0 HB3 LEU A 120 4.392 -5.312 7.991 1.00 0.17 H new ATOM 0 HG LEU A 120 2.598 -3.367 8.207 1.00 0.18 H new ATOM 0 HD11 LEU A 120 0.326 -4.176 7.689 1.00 0.21 H new ATOM 0 HD12 LEU A 120 1.314 -3.984 6.221 1.00 0.21 H new ATOM 0 HD13 LEU A 120 1.024 -5.606 6.892 1.00 0.21 H new ATOM 0 HD21 LEU A 120 1.374 -4.767 9.830 1.00 0.22 H new ATOM 0 HD22 LEU A 120 2.122 -6.221 9.129 1.00 0.22 H new ATOM 0 HD23 LEU A 120 3.134 -5.005 9.943 1.00 0.22 H new ATOM 804 N LEU A 121 6.743 -4.390 6.019 1.00 0.19 N ATOM 805 CA LEU A 121 7.915 -5.002 5.414 1.00 0.25 C ATOM 806 C LEU A 121 8.616 -5.903 6.418 1.00 0.33 C ATOM 807 O LEU A 121 9.267 -5.421 7.344 1.00 0.37 O ATOM 808 CB LEU A 121 8.883 -3.928 4.901 1.00 0.29 C ATOM 809 CG LEU A 121 10.260 -4.437 4.453 1.00 0.53 C ATOM 810 CD1 LEU A 121 10.127 -5.466 3.341 1.00 1.36 C ATOM 811 CD2 LEU A 121 11.135 -3.278 4.002 1.00 1.18 C ATOM 0 H LEU A 121 6.952 -3.753 6.787 1.00 0.19 H new ATOM 0 HA LEU A 121 7.588 -5.605 4.567 1.00 0.25 H new ATOM 0 HB2 LEU A 121 8.415 -3.413 4.062 1.00 0.29 H new ATOM 0 HB3 LEU A 121 9.027 -3.188 5.688 1.00 0.29 H new ATOM 0 HG LEU A 121 10.735 -4.921 5.307 1.00 0.53 H new ATOM 0 HD11 LEU A 121 11.118 -5.810 3.043 1.00 1.36 H new ATOM 0 HD12 LEU A 121 9.541 -6.313 3.697 1.00 1.36 H new ATOM 0 HD13 LEU A 121 9.627 -5.014 2.485 1.00 1.36 H new ATOM 0 HD21 LEU A 121 12.107 -3.657 3.688 1.00 1.18 H new ATOM 0 HD22 LEU A 121 10.658 -2.766 3.166 1.00 1.18 H new ATOM 0 HD23 LEU A 121 11.268 -2.579 4.828 1.00 1.18 H new ATOM 823 N LYS A 122 8.449 -7.212 6.241 1.00 0.43 N ATOM 824 CA LYS A 122 9.134 -8.204 7.066 1.00 0.54 C ATOM 825 C LYS A 122 8.740 -8.037 8.536 1.00 0.44 C ATOM 826 O LYS A 122 9.580 -8.094 9.439 1.00 0.52 O ATOM 827 CB LYS A 122 10.651 -8.069 6.874 1.00 0.71 C ATOM 828 CG LYS A 122 11.463 -9.259 7.365 1.00 1.20 C ATOM 829 CD LYS A 122 12.940 -9.089 7.041 1.00 1.39 C ATOM 830 CE LYS A 122 13.544 -7.907 7.783 1.00 2.05 C ATOM 831 NZ LYS A 122 14.967 -7.685 7.419 1.00 2.47 N ATOM 0 H LYS A 122 7.840 -7.612 5.527 1.00 0.43 H new ATOM 0 HA LYS A 122 8.835 -9.205 6.757 1.00 0.54 H new ATOM 0 HB2 LYS A 122 10.857 -7.918 5.814 1.00 0.71 H new ATOM 0 HB3 LYS A 122 10.991 -7.174 7.395 1.00 0.71 H new ATOM 0 HG2 LYS A 122 11.335 -9.371 8.442 1.00 1.20 H new ATOM 0 HG3 LYS A 122 11.090 -10.173 6.903 1.00 1.20 H new ATOM 0 HD2 LYS A 122 13.478 -9.999 7.306 1.00 1.39 H new ATOM 0 HD3 LYS A 122 13.063 -8.947 5.967 1.00 1.39 H new ATOM 0 HE2 LYS A 122 12.969 -7.008 7.560 1.00 2.05 H new ATOM 0 HE3 LYS A 122 13.467 -8.077 8.857 1.00 2.05 H new ATOM 0 HZ1 LYS A 122 15.338 -6.870 7.948 1.00 2.47 H new ATOM 0 HZ2 LYS A 122 15.522 -8.532 7.655 1.00 2.47 H new ATOM 0 HZ3 LYS A 122 15.039 -7.497 6.399 1.00 2.47 H new ATOM 845 N GLY A 123 7.453 -7.800 8.763 1.00 0.36 N ATOM 846 CA GLY A 123 6.943 -7.650 10.114 1.00 0.39 C ATOM 847 C GLY A 123 6.993 -6.215 10.606 1.00 0.35 C ATOM 848 O GLY A 123 6.403 -5.884 11.637 1.00 0.47 O ATOM 0 H GLY A 123 6.749 -7.709 8.030 1.00 0.36 H new ATOM 0 HA2 GLY A 123 5.913 -8.006 10.150 1.00 0.39 H new ATOM 0 HA3 GLY A 123 7.522 -8.281 10.788 1.00 0.39 H new ATOM 852 N LYS A 124 7.689 -5.361 9.866 1.00 0.26 N ATOM 853 CA LYS A 124 7.864 -3.970 10.258 1.00 0.29 C ATOM 854 C LYS A 124 6.755 -3.093 9.689 1.00 0.23 C ATOM 855 O LYS A 124 6.519 -3.073 8.481 1.00 0.21 O ATOM 856 CB LYS A 124 9.236 -3.461 9.797 1.00 0.37 C ATOM 857 CG LYS A 124 9.458 -1.971 10.021 1.00 0.46 C ATOM 858 CD LYS A 124 9.356 -1.592 11.489 1.00 0.53 C ATOM 859 CE LYS A 124 9.568 -0.100 11.690 1.00 1.36 C ATOM 860 NZ LYS A 124 9.415 0.297 13.114 1.00 1.94 N ATOM 0 H LYS A 124 8.143 -5.610 8.987 1.00 0.26 H new ATOM 0 HA LYS A 124 7.811 -3.914 11.345 1.00 0.29 H new ATOM 0 HB2 LYS A 124 10.012 -4.016 10.324 1.00 0.37 H new ATOM 0 HB3 LYS A 124 9.354 -3.679 8.735 1.00 0.37 H new ATOM 0 HG2 LYS A 124 10.441 -1.690 9.642 1.00 0.46 H new ATOM 0 HG3 LYS A 124 8.722 -1.405 9.449 1.00 0.46 H new ATOM 0 HD2 LYS A 124 8.377 -1.877 11.873 1.00 0.53 H new ATOM 0 HD3 LYS A 124 10.098 -2.148 12.063 1.00 0.53 H new ATOM 0 HE2 LYS A 124 10.564 0.175 11.342 1.00 1.36 H new ATOM 0 HE3 LYS A 124 8.853 0.453 11.081 1.00 1.36 H new ATOM 0 HZ1 LYS A 124 9.567 1.322 13.207 1.00 1.94 H new ATOM 0 HZ2 LYS A 124 8.457 0.059 13.440 1.00 1.94 H new ATOM 0 HZ3 LYS A 124 10.114 -0.211 13.693 1.00 1.94 H new ATOM 874 N VAL A 125 6.072 -2.386 10.580 1.00 0.24 N ATOM 875 CA VAL A 125 5.047 -1.428 10.196 1.00 0.21 C ATOM 876 C VAL A 125 5.655 -0.249 9.444 1.00 0.22 C ATOM 877 O VAL A 125 6.479 0.490 9.985 1.00 0.30 O ATOM 878 CB VAL A 125 4.286 -0.902 11.437 1.00 0.24 C ATOM 879 CG1 VAL A 125 3.395 0.281 11.081 1.00 0.26 C ATOM 880 CG2 VAL A 125 3.463 -2.018 12.062 1.00 0.27 C ATOM 0 H VAL A 125 6.214 -2.461 11.587 1.00 0.24 H new ATOM 0 HA VAL A 125 4.347 -1.948 9.541 1.00 0.21 H new ATOM 0 HB VAL A 125 5.023 -0.557 12.162 1.00 0.24 H new ATOM 0 HG11 VAL A 125 2.875 0.626 11.974 1.00 0.26 H new ATOM 0 HG12 VAL A 125 4.007 1.090 10.682 1.00 0.26 H new ATOM 0 HG13 VAL A 125 2.665 -0.026 10.332 1.00 0.26 H new ATOM 0 HG21 VAL A 125 2.933 -1.635 12.934 1.00 0.27 H new ATOM 0 HG22 VAL A 125 2.742 -2.390 11.334 1.00 0.27 H new ATOM 0 HG23 VAL A 125 4.123 -2.830 12.367 1.00 0.27 H new ATOM 890 N LEU A 126 5.255 -0.087 8.192 1.00 0.20 N ATOM 891 CA LEU A 126 5.668 1.062 7.406 1.00 0.22 C ATOM 892 C LEU A 126 4.665 2.187 7.608 1.00 0.24 C ATOM 893 O LEU A 126 3.462 1.944 7.717 1.00 0.31 O ATOM 894 CB LEU A 126 5.764 0.699 5.922 1.00 0.22 C ATOM 895 CG LEU A 126 6.667 -0.496 5.600 1.00 0.22 C ATOM 896 CD1 LEU A 126 6.797 -0.675 4.096 1.00 0.30 C ATOM 897 CD2 LEU A 126 8.034 -0.321 6.239 1.00 0.23 C ATOM 0 H LEU A 126 4.644 -0.738 7.699 1.00 0.20 H new ATOM 0 HA LEU A 126 6.655 1.385 7.737 1.00 0.22 H new ATOM 0 HB2 LEU A 126 4.761 0.487 5.551 1.00 0.22 H new ATOM 0 HB3 LEU A 126 6.129 1.568 5.375 1.00 0.22 H new ATOM 0 HG LEU A 126 6.209 -1.394 6.014 1.00 0.22 H new ATOM 0 HD11 LEU A 126 7.442 -1.528 3.886 1.00 0.30 H new ATOM 0 HD12 LEU A 126 5.812 -0.849 3.664 1.00 0.30 H new ATOM 0 HD13 LEU A 126 7.231 0.224 3.659 1.00 0.30 H new ATOM 0 HD21 LEU A 126 8.661 -1.180 5.999 1.00 0.23 H new ATOM 0 HD22 LEU A 126 8.501 0.587 5.857 1.00 0.23 H new ATOM 0 HD23 LEU A 126 7.923 -0.244 7.321 1.00 0.23 H new ATOM 909 N HIS A 127 5.155 3.414 7.668 1.00 0.24 N ATOM 910 CA HIS A 127 4.297 4.550 7.972 1.00 0.25 C ATOM 911 C HIS A 127 3.685 5.132 6.703 1.00 0.22 C ATOM 912 O HIS A 127 3.988 4.681 5.597 1.00 0.28 O ATOM 913 CB HIS A 127 5.071 5.637 8.722 1.00 0.28 C ATOM 914 CG HIS A 127 5.664 5.180 10.023 1.00 0.74 C ATOM 915 ND1 HIS A 127 6.713 5.828 10.639 1.00 1.35 N ATOM 916 CD2 HIS A 127 5.351 4.133 10.824 1.00 1.31 C ATOM 917 CE1 HIS A 127 7.020 5.200 11.758 1.00 1.67 C ATOM 918 NE2 HIS A 127 6.209 4.170 11.893 1.00 1.62 N ATOM 0 H HIS A 127 6.135 3.650 7.512 1.00 0.24 H new ATOM 0 HA HIS A 127 3.492 4.188 8.612 1.00 0.25 H new ATOM 0 HB2 HIS A 127 5.871 6.007 8.080 1.00 0.28 H new ATOM 0 HB3 HIS A 127 4.403 6.477 8.914 1.00 0.28 H new ATOM 0 HD2 HIS A 127 4.572 3.405 10.653 1.00 1.31 H new ATOM 0 HE1 HIS A 127 7.803 5.482 12.446 1.00 1.67 H new ATOM 0 HE2 HIS A 127 6.218 3.507 12.668 1.00 1.62 H new ATOM 927 N ASP A 128 2.826 6.125 6.869 1.00 0.24 N ATOM 928 CA ASP A 128 2.136 6.748 5.744 1.00 0.25 C ATOM 929 C ASP A 128 3.115 7.390 4.755 1.00 0.20 C ATOM 930 O ASP A 128 3.046 7.113 3.563 1.00 0.22 O ATOM 931 CB ASP A 128 1.106 7.781 6.229 1.00 0.32 C ATOM 932 CG ASP A 128 1.705 8.874 7.092 1.00 0.35 C ATOM 933 OD1 ASP A 128 2.149 8.571 8.219 1.00 0.45 O ATOM 934 OD2 ASP A 128 1.730 10.041 6.650 1.00 0.42 O ATOM 0 H ASP A 128 2.587 6.521 7.778 1.00 0.24 H new ATOM 0 HA ASP A 128 1.608 5.954 5.216 1.00 0.25 H new ATOM 0 HB2 ASP A 128 0.624 8.236 5.363 1.00 0.32 H new ATOM 0 HB3 ASP A 128 0.328 7.268 6.794 1.00 0.32 H new ATOM 939 N ASN A 129 4.037 8.216 5.242 1.00 0.19 N ATOM 940 CA ASN A 129 4.913 8.982 4.351 1.00 0.19 C ATOM 941 C ASN A 129 6.386 8.577 4.482 1.00 0.17 C ATOM 942 O ASN A 129 7.284 9.392 4.258 1.00 0.22 O ATOM 943 CB ASN A 129 4.744 10.490 4.593 1.00 0.28 C ATOM 944 CG ASN A 129 5.215 10.941 5.966 1.00 1.11 C ATOM 945 OD1 ASN A 129 6.369 11.332 6.142 1.00 1.91 O ATOM 946 ND2 ASN A 129 4.327 10.898 6.946 1.00 1.48 N ATOM 0 H ASN A 129 4.199 8.373 6.237 1.00 0.19 H new ATOM 0 HA ASN A 129 4.610 8.749 3.330 1.00 0.19 H new ATOM 0 HB2 ASN A 129 5.298 11.037 3.830 1.00 0.28 H new ATOM 0 HB3 ASN A 129 3.693 10.753 4.474 1.00 0.28 H new ATOM 0 HD21 ASN A 129 4.590 11.195 7.886 1.00 1.48 H new ATOM 0 HD22 ASN A 129 3.380 10.568 6.762 1.00 1.48 H new ATOM 953 N LEU A 130 6.634 7.323 4.838 1.00 0.15 N ATOM 954 CA LEU A 130 8.003 6.827 4.985 1.00 0.19 C ATOM 955 C LEU A 130 8.725 6.839 3.633 1.00 0.15 C ATOM 956 O LEU A 130 8.160 6.443 2.613 1.00 0.14 O ATOM 957 CB LEU A 130 7.993 5.407 5.573 1.00 0.25 C ATOM 958 CG LEU A 130 9.090 5.100 6.611 1.00 0.33 C ATOM 959 CD1 LEU A 130 10.481 5.275 6.023 1.00 0.33 C ATOM 960 CD2 LEU A 130 8.929 5.974 7.847 1.00 0.39 C ATOM 0 H LEU A 130 5.910 6.630 5.030 1.00 0.15 H new ATOM 0 HA LEU A 130 8.540 7.485 5.669 1.00 0.19 H new ATOM 0 HB2 LEU A 130 7.022 5.234 6.037 1.00 0.25 H new ATOM 0 HB3 LEU A 130 8.086 4.695 4.753 1.00 0.25 H new ATOM 0 HG LEU A 130 8.976 4.056 6.903 1.00 0.33 H new ATOM 0 HD11 LEU A 130 11.229 5.050 6.784 1.00 0.33 H new ATOM 0 HD12 LEU A 130 10.607 4.597 5.179 1.00 0.33 H new ATOM 0 HD13 LEU A 130 10.606 6.303 5.684 1.00 0.33 H new ATOM 0 HD21 LEU A 130 9.715 5.738 8.564 1.00 0.39 H new ATOM 0 HD22 LEU A 130 9.001 7.024 7.562 1.00 0.39 H new ATOM 0 HD23 LEU A 130 7.956 5.787 8.301 1.00 0.39 H new ATOM 972 N PHE A 131 9.962 7.324 3.635 1.00 0.19 N ATOM 973 CA PHE A 131 10.795 7.346 2.436 1.00 0.19 C ATOM 974 C PHE A 131 11.361 5.958 2.163 1.00 0.19 C ATOM 975 O PHE A 131 11.758 5.246 3.087 1.00 0.21 O ATOM 976 CB PHE A 131 11.951 8.337 2.607 1.00 0.22 C ATOM 977 CG PHE A 131 11.530 9.780 2.654 1.00 0.28 C ATOM 978 CD1 PHE A 131 10.952 10.314 3.794 1.00 0.38 C ATOM 979 CD2 PHE A 131 11.726 10.605 1.558 1.00 0.35 C ATOM 980 CE1 PHE A 131 10.574 11.641 3.839 1.00 0.47 C ATOM 981 CE2 PHE A 131 11.348 11.933 1.598 1.00 0.44 C ATOM 982 CZ PHE A 131 10.772 12.451 2.740 1.00 0.47 C ATOM 0 H PHE A 131 10.415 7.711 4.463 1.00 0.19 H new ATOM 0 HA PHE A 131 10.175 7.658 1.595 1.00 0.19 H new ATOM 0 HB2 PHE A 131 12.486 8.097 3.526 1.00 0.22 H new ATOM 0 HB3 PHE A 131 12.653 8.203 1.784 1.00 0.22 H new ATOM 0 HD1 PHE A 131 10.795 9.685 4.658 1.00 0.38 H new ATOM 0 HD2 PHE A 131 12.179 10.205 0.663 1.00 0.35 H new ATOM 0 HE1 PHE A 131 10.124 12.045 4.734 1.00 0.47 H new ATOM 0 HE2 PHE A 131 11.503 12.565 0.736 1.00 0.44 H new ATOM 0 HZ PHE A 131 10.477 13.489 2.773 1.00 0.47 H new ATOM 992 N LEU A 132 11.422 5.588 0.889 1.00 0.19 N ATOM 993 CA LEU A 132 11.886 4.264 0.493 1.00 0.21 C ATOM 994 C LEU A 132 13.372 4.084 0.777 1.00 0.23 C ATOM 995 O LEU A 132 13.879 2.964 0.760 1.00 0.26 O ATOM 996 CB LEU A 132 11.593 4.001 -0.987 1.00 0.23 C ATOM 997 CG LEU A 132 10.221 3.385 -1.283 1.00 0.21 C ATOM 998 CD1 LEU A 132 9.093 4.282 -0.801 1.00 0.16 C ATOM 999 CD2 LEU A 132 10.072 3.104 -2.770 1.00 0.28 C ATOM 0 H LEU A 132 11.155 6.189 0.110 1.00 0.19 H new ATOM 0 HA LEU A 132 11.338 3.536 1.091 1.00 0.21 H new ATOM 0 HB2 LEU A 132 11.675 4.943 -1.530 1.00 0.23 H new ATOM 0 HB3 LEU A 132 12.363 3.338 -1.381 1.00 0.23 H new ATOM 0 HG LEU A 132 10.157 2.443 -0.738 1.00 0.21 H new ATOM 0 HD11 LEU A 132 8.135 3.815 -1.027 1.00 0.16 H new ATOM 0 HD12 LEU A 132 9.180 4.429 0.275 1.00 0.16 H new ATOM 0 HD13 LEU A 132 9.154 5.246 -1.305 1.00 0.16 H new ATOM 0 HD21 LEU A 132 9.092 2.667 -2.961 1.00 0.28 H new ATOM 0 HD22 LEU A 132 10.169 4.035 -3.328 1.00 0.28 H new ATOM 0 HD23 LEU A 132 10.848 2.408 -3.088 1.00 0.28 H new ATOM 1011 N SER A 133 14.060 5.190 1.030 1.00 0.24 N ATOM 1012 CA SER A 133 15.483 5.168 1.312 1.00 0.28 C ATOM 1013 C SER A 133 15.763 4.409 2.605 1.00 0.32 C ATOM 1014 O SER A 133 16.732 3.656 2.706 1.00 0.39 O ATOM 1015 CB SER A 133 15.992 6.603 1.421 1.00 0.33 C ATOM 1016 OG SER A 133 15.354 7.440 0.469 1.00 1.25 O ATOM 0 H SER A 133 13.646 6.122 1.045 1.00 0.24 H new ATOM 0 HA SER A 133 16.002 4.656 0.501 1.00 0.28 H new ATOM 0 HB2 SER A 133 15.809 6.983 2.426 1.00 0.33 H new ATOM 0 HB3 SER A 133 17.070 6.624 1.264 1.00 0.33 H new ATOM 0 HG SER A 133 15.341 6.993 -0.403 1.00 1.25 H new ATOM 1022 N ASP A 134 14.897 4.604 3.590 1.00 0.32 N ATOM 1023 CA ASP A 134 15.043 3.938 4.878 1.00 0.38 C ATOM 1024 C ASP A 134 14.585 2.491 4.770 1.00 0.39 C ATOM 1025 O ASP A 134 15.101 1.603 5.451 1.00 0.49 O ATOM 1026 CB ASP A 134 14.227 4.674 5.944 1.00 0.40 C ATOM 1027 CG ASP A 134 14.423 4.109 7.336 1.00 1.12 C ATOM 1028 OD1 ASP A 134 15.464 4.404 7.961 1.00 1.33 O ATOM 1029 OD2 ASP A 134 13.532 3.385 7.824 1.00 1.93 O ATOM 0 H ASP A 134 14.085 5.218 3.522 1.00 0.32 H new ATOM 0 HA ASP A 134 16.093 3.953 5.169 1.00 0.38 H new ATOM 0 HB2 ASP A 134 14.506 5.728 5.943 1.00 0.40 H new ATOM 0 HB3 ASP A 134 13.170 4.624 5.683 1.00 0.40 H new ATOM 1034 N LEU A 135 13.625 2.265 3.884 1.00 0.34 N ATOM 1035 CA LEU A 135 13.032 0.948 3.701 1.00 0.36 C ATOM 1036 C LEU A 135 13.980 0.029 2.939 1.00 0.39 C ATOM 1037 O LEU A 135 14.324 -1.051 3.419 1.00 0.42 O ATOM 1038 CB LEU A 135 11.716 1.072 2.936 1.00 0.34 C ATOM 1039 CG LEU A 135 10.762 2.147 3.453 1.00 0.30 C ATOM 1040 CD1 LEU A 135 9.467 2.111 2.671 1.00 0.32 C ATOM 1041 CD2 LEU A 135 10.494 1.974 4.940 1.00 0.34 C ATOM 0 H LEU A 135 13.237 2.985 3.275 1.00 0.34 H new ATOM 0 HA LEU A 135 12.844 0.518 4.685 1.00 0.36 H new ATOM 0 HB2 LEU A 135 11.941 1.281 1.890 1.00 0.34 H new ATOM 0 HB3 LEU A 135 11.205 0.110 2.966 1.00 0.34 H new ATOM 0 HG LEU A 135 11.233 3.120 3.311 1.00 0.30 H new ATOM 0 HD11 LEU A 135 8.793 2.881 3.047 1.00 0.32 H new ATOM 0 HD12 LEU A 135 9.674 2.293 1.616 1.00 0.32 H new ATOM 0 HD13 LEU A 135 9.000 1.133 2.786 1.00 0.32 H new ATOM 0 HD21 LEU A 135 9.812 2.753 5.280 1.00 0.34 H new ATOM 0 HD22 LEU A 135 10.046 0.996 5.118 1.00 0.34 H new ATOM 0 HD23 LEU A 135 11.432 2.048 5.490 1.00 0.34 H new ATOM 1053 N LYS A 136 14.398 0.480 1.757 1.00 0.39 N ATOM 1054 CA LYS A 136 15.289 -0.286 0.890 1.00 0.42 C ATOM 1055 C LYS A 136 14.686 -1.650 0.550 1.00 0.41 C ATOM 1056 O LYS A 136 15.119 -2.688 1.061 1.00 0.47 O ATOM 1057 CB LYS A 136 16.665 -0.449 1.551 1.00 0.47 C ATOM 1058 CG LYS A 136 17.714 -1.080 0.648 1.00 1.24 C ATOM 1059 CD LYS A 136 19.039 -1.246 1.372 1.00 1.64 C ATOM 1060 CE LYS A 136 20.092 -1.870 0.472 1.00 2.49 C ATOM 1061 NZ LYS A 136 20.410 -1.007 -0.696 1.00 2.87 N ATOM 0 H LYS A 136 14.128 1.386 1.375 1.00 0.39 H new ATOM 0 HA LYS A 136 15.415 0.264 -0.042 1.00 0.42 H new ATOM 0 HB2 LYS A 136 17.020 0.530 1.874 1.00 0.47 H new ATOM 0 HB3 LYS A 136 16.556 -1.060 2.447 1.00 0.47 H new ATOM 0 HG2 LYS A 136 17.362 -2.052 0.302 1.00 1.24 H new ATOM 0 HG3 LYS A 136 17.856 -0.459 -0.237 1.00 1.24 H new ATOM 0 HD2 LYS A 136 19.388 -0.274 1.722 1.00 1.64 H new ATOM 0 HD3 LYS A 136 18.897 -1.870 2.254 1.00 1.64 H new ATOM 0 HE2 LYS A 136 21.000 -2.050 1.047 1.00 2.49 H new ATOM 0 HE3 LYS A 136 19.740 -2.840 0.121 1.00 2.49 H new ATOM 0 HZ1 LYS A 136 21.265 -1.364 -1.169 1.00 2.87 H new ATOM 0 HZ2 LYS A 136 19.613 -1.020 -1.365 1.00 2.87 H new ATOM 0 HZ3 LYS A 136 20.575 -0.032 -0.373 1.00 2.87 H new ATOM 1075 N VAL A 137 13.667 -1.645 -0.301 1.00 0.37 N ATOM 1076 CA VAL A 137 13.044 -2.888 -0.731 1.00 0.38 C ATOM 1077 C VAL A 137 13.816 -3.484 -1.902 1.00 0.43 C ATOM 1078 O VAL A 137 13.683 -3.037 -3.042 1.00 0.48 O ATOM 1079 CB VAL A 137 11.568 -2.680 -1.144 1.00 0.38 C ATOM 1080 CG1 VAL A 137 10.906 -4.004 -1.483 1.00 0.45 C ATOM 1081 CG2 VAL A 137 10.800 -1.956 -0.046 1.00 0.47 C ATOM 0 H VAL A 137 13.258 -0.801 -0.703 1.00 0.37 H new ATOM 0 HA VAL A 137 13.066 -3.573 0.117 1.00 0.38 H new ATOM 0 HB VAL A 137 11.552 -2.058 -2.039 1.00 0.38 H new ATOM 0 HG11 VAL A 137 9.869 -3.829 -1.770 1.00 0.45 H new ATOM 0 HG12 VAL A 137 11.437 -4.475 -2.310 1.00 0.45 H new ATOM 0 HG13 VAL A 137 10.936 -4.659 -0.612 1.00 0.45 H new ATOM 0 HG21 VAL A 137 9.764 -1.819 -0.356 1.00 0.47 H new ATOM 0 HG22 VAL A 137 10.830 -2.547 0.869 1.00 0.47 H new ATOM 0 HG23 VAL A 137 11.256 -0.983 0.136 1.00 0.47 H new ATOM 1091 N THR A 138 14.624 -4.486 -1.611 1.00 0.50 N ATOM 1092 CA THR A 138 15.400 -5.168 -2.630 1.00 0.60 C ATOM 1093 C THR A 138 14.620 -6.365 -3.165 1.00 0.55 C ATOM 1094 O THR A 138 13.605 -6.728 -2.580 1.00 0.51 O ATOM 1095 CB THR A 138 16.755 -5.643 -2.061 1.00 0.73 C ATOM 1096 OG1 THR A 138 16.547 -6.432 -0.879 1.00 0.72 O ATOM 1097 CG2 THR A 138 17.650 -4.459 -1.729 1.00 0.88 C ATOM 0 H THR A 138 14.761 -4.849 -0.667 1.00 0.50 H new ATOM 0 HA THR A 138 15.590 -4.466 -3.442 1.00 0.60 H new ATOM 0 HB THR A 138 17.245 -6.250 -2.822 1.00 0.73 H new ATOM 0 HG1 THR A 138 17.412 -6.729 -0.527 1.00 0.72 H new ATOM 0 HG21 THR A 138 18.598 -4.820 -1.330 1.00 0.88 H new ATOM 0 HG22 THR A 138 17.834 -3.878 -2.632 1.00 0.88 H new ATOM 0 HG23 THR A 138 17.160 -3.830 -0.986 1.00 0.88 H new ATOM 1105 N PRO A 139 15.044 -6.979 -4.282 1.00 0.63 N ATOM 1106 CA PRO A 139 14.416 -8.209 -4.784 1.00 0.67 C ATOM 1107 C PRO A 139 14.234 -9.273 -3.692 1.00 0.63 C ATOM 1108 O PRO A 139 13.241 -10.005 -3.683 1.00 0.74 O ATOM 1109 CB PRO A 139 15.403 -8.688 -5.846 1.00 0.86 C ATOM 1110 CG PRO A 139 16.035 -7.439 -6.354 1.00 0.93 C ATOM 1111 CD PRO A 139 16.119 -6.505 -5.176 1.00 0.77 C ATOM 0 HA PRO A 139 13.409 -8.030 -5.161 1.00 0.67 H new ATOM 0 HB2 PRO A 139 16.145 -9.365 -5.423 1.00 0.86 H new ATOM 0 HB3 PRO A 139 14.896 -9.230 -6.644 1.00 0.86 H new ATOM 0 HG2 PRO A 139 17.025 -7.641 -6.762 1.00 0.93 H new ATOM 0 HG3 PRO A 139 15.442 -7.001 -7.157 1.00 0.93 H new ATOM 0 HD2 PRO A 139 17.095 -6.556 -4.692 1.00 0.77 H new ATOM 0 HD3 PRO A 139 15.965 -5.468 -5.474 1.00 0.77 H new ATOM 1119 N ALA A 140 15.183 -9.341 -2.764 1.00 0.64 N ATOM 1120 CA ALA A 140 15.117 -10.297 -1.661 1.00 0.72 C ATOM 1121 C ALA A 140 14.046 -9.908 -0.643 1.00 0.64 C ATOM 1122 O ALA A 140 13.471 -10.763 0.030 1.00 0.77 O ATOM 1123 CB ALA A 140 16.470 -10.402 -0.978 1.00 0.89 C ATOM 0 H ALA A 140 16.010 -8.744 -2.753 1.00 0.64 H new ATOM 0 HA ALA A 140 14.846 -11.267 -2.078 1.00 0.72 H new ATOM 0 HB1 ALA A 140 16.409 -11.117 -0.158 1.00 0.89 H new ATOM 0 HB2 ALA A 140 17.216 -10.739 -1.698 1.00 0.89 H new ATOM 0 HB3 ALA A 140 16.757 -9.426 -0.588 1.00 0.89 H new ATOM 1129 N ASN A 141 13.776 -8.617 -0.542 1.00 0.54 N ATOM 1130 CA ASN A 141 12.803 -8.109 0.419 1.00 0.54 C ATOM 1131 C ASN A 141 11.608 -7.519 -0.311 1.00 0.42 C ATOM 1132 O ASN A 141 10.930 -6.631 0.200 1.00 0.42 O ATOM 1133 CB ASN A 141 13.431 -7.038 1.317 1.00 0.69 C ATOM 1134 CG ASN A 141 14.582 -7.568 2.151 1.00 0.82 C ATOM 1135 OD1 ASN A 141 14.380 -8.095 3.245 1.00 1.10 O ATOM 1136 ND2 ASN A 141 15.801 -7.418 1.653 1.00 1.02 N ATOM 0 H ASN A 141 14.217 -7.897 -1.114 1.00 0.54 H new ATOM 0 HA ASN A 141 12.476 -8.941 1.042 1.00 0.54 H new ATOM 0 HB2 ASN A 141 13.787 -6.215 0.698 1.00 0.69 H new ATOM 0 HB3 ASN A 141 12.666 -6.632 1.979 1.00 0.69 H new ATOM 0 HD21 ASN A 141 16.611 -7.744 2.180 1.00 1.02 H new ATOM 0 HD22 ASN A 141 15.929 -6.976 0.743 1.00 1.02 H new ATOM 1143 N SER A 142 11.351 -8.031 -1.505 1.00 0.36 N ATOM 1144 CA SER A 142 10.339 -7.462 -2.379 1.00 0.31 C ATOM 1145 C SER A 142 8.928 -7.808 -1.913 1.00 0.26 C ATOM 1146 O SER A 142 7.970 -7.126 -2.274 1.00 0.26 O ATOM 1147 CB SER A 142 10.561 -7.949 -3.812 1.00 0.37 C ATOM 1148 OG SER A 142 10.638 -9.363 -3.866 1.00 1.23 O ATOM 0 H SER A 142 11.832 -8.843 -1.891 1.00 0.36 H new ATOM 0 HA SER A 142 10.435 -6.377 -2.344 1.00 0.31 H new ATOM 0 HB2 SER A 142 9.746 -7.602 -4.447 1.00 0.37 H new ATOM 0 HB3 SER A 142 11.480 -7.517 -4.208 1.00 0.37 H new ATOM 0 HG SER A 142 11.566 -9.634 -4.028 1.00 1.23 H new ATOM 1154 N THR A 143 8.795 -8.863 -1.119 1.00 0.30 N ATOM 1155 CA THR A 143 7.489 -9.273 -0.630 1.00 0.31 C ATOM 1156 C THR A 143 6.989 -8.304 0.436 1.00 0.25 C ATOM 1157 O THR A 143 7.534 -8.234 1.540 1.00 0.34 O ATOM 1158 CB THR A 143 7.519 -10.698 -0.048 1.00 0.41 C ATOM 1159 OG1 THR A 143 8.153 -11.596 -0.973 1.00 0.48 O ATOM 1160 CG2 THR A 143 6.105 -11.183 0.246 1.00 0.45 C ATOM 0 H THR A 143 9.571 -9.445 -0.803 1.00 0.30 H new ATOM 0 HA THR A 143 6.810 -9.264 -1.483 1.00 0.31 H new ATOM 0 HB THR A 143 8.087 -10.678 0.882 1.00 0.41 H new ATOM 0 HG1 THR A 143 8.169 -12.499 -0.593 1.00 0.48 H new ATOM 0 HG21 THR A 143 6.144 -12.192 0.657 1.00 0.45 H new ATOM 0 HG22 THR A 143 5.634 -10.516 0.968 1.00 0.45 H new ATOM 0 HG23 THR A 143 5.523 -11.189 -0.676 1.00 0.45 H new ATOM 1168 N ILE A 144 5.961 -7.549 0.094 1.00 0.20 N ATOM 1169 CA ILE A 144 5.387 -6.580 1.006 1.00 0.18 C ATOM 1170 C ILE A 144 3.978 -7.006 1.393 1.00 0.18 C ATOM 1171 O ILE A 144 3.206 -7.461 0.550 1.00 0.24 O ATOM 1172 CB ILE A 144 5.321 -5.175 0.371 1.00 0.21 C ATOM 1173 CG1 ILE A 144 6.659 -4.796 -0.276 1.00 0.22 C ATOM 1174 CG2 ILE A 144 4.934 -4.138 1.417 1.00 0.27 C ATOM 1175 CD1 ILE A 144 7.807 -4.682 0.704 1.00 0.25 C ATOM 0 H ILE A 144 5.504 -7.590 -0.817 1.00 0.20 H new ATOM 0 HA ILE A 144 6.028 -6.537 1.887 1.00 0.18 H new ATOM 0 HB ILE A 144 4.559 -5.195 -0.408 1.00 0.21 H new ATOM 0 HG12 ILE A 144 6.911 -5.542 -1.029 1.00 0.22 H new ATOM 0 HG13 ILE A 144 6.543 -3.845 -0.796 1.00 0.22 H new ATOM 0 HG21 ILE A 144 4.892 -3.152 0.954 1.00 0.27 H new ATOM 0 HG22 ILE A 144 3.957 -4.386 1.832 1.00 0.27 H new ATOM 0 HG23 ILE A 144 5.676 -4.132 2.215 1.00 0.27 H new ATOM 0 HD11 ILE A 144 8.717 -4.411 0.169 1.00 0.25 H new ATOM 0 HD12 ILE A 144 7.579 -3.914 1.444 1.00 0.25 H new ATOM 0 HD13 ILE A 144 7.953 -5.638 1.206 1.00 0.25 H new ATOM 1187 N THR A 145 3.649 -6.872 2.662 1.00 0.14 N ATOM 1188 CA THR A 145 2.311 -7.166 3.126 1.00 0.14 C ATOM 1189 C THR A 145 1.478 -5.895 3.104 1.00 0.14 C ATOM 1190 O THR A 145 1.768 -4.950 3.838 1.00 0.19 O ATOM 1191 CB THR A 145 2.334 -7.732 4.555 1.00 0.17 C ATOM 1192 OG1 THR A 145 3.389 -8.697 4.680 1.00 0.21 O ATOM 1193 CG2 THR A 145 1.005 -8.383 4.900 1.00 0.19 C ATOM 0 H THR A 145 4.292 -6.561 3.390 1.00 0.14 H new ATOM 0 HA THR A 145 1.874 -7.914 2.464 1.00 0.14 H new ATOM 0 HB THR A 145 2.508 -6.908 5.247 1.00 0.17 H new ATOM 0 HG1 THR A 145 3.400 -9.053 5.593 1.00 0.21 H new ATOM 0 HG21 THR A 145 1.045 -8.776 5.916 1.00 0.19 H new ATOM 0 HG22 THR A 145 0.208 -7.643 4.829 1.00 0.19 H new ATOM 0 HG23 THR A 145 0.807 -9.198 4.203 1.00 0.19 H new ATOM 1201 N VAL A 146 0.469 -5.846 2.249 1.00 0.14 N ATOM 1202 CA VAL A 146 -0.371 -4.669 2.176 1.00 0.15 C ATOM 1203 C VAL A 146 -1.792 -4.984 2.639 1.00 0.15 C ATOM 1204 O VAL A 146 -2.535 -5.745 2.012 1.00 0.19 O ATOM 1205 CB VAL A 146 -0.369 -4.026 0.764 1.00 0.15 C ATOM 1206 CG1 VAL A 146 -0.977 -4.937 -0.285 1.00 0.16 C ATOM 1207 CG2 VAL A 146 -1.079 -2.685 0.793 1.00 0.20 C ATOM 0 H VAL A 146 0.217 -6.597 1.606 1.00 0.14 H new ATOM 0 HA VAL A 146 0.055 -3.931 2.855 1.00 0.15 H new ATOM 0 HB VAL A 146 0.672 -3.869 0.480 1.00 0.15 H new ATOM 0 HG11 VAL A 146 -0.952 -4.442 -1.256 1.00 0.16 H new ATOM 0 HG12 VAL A 146 -0.407 -5.864 -0.336 1.00 0.16 H new ATOM 0 HG13 VAL A 146 -2.010 -5.161 -0.018 1.00 0.16 H new ATOM 0 HG21 VAL A 146 -1.069 -2.246 -0.205 1.00 0.20 H new ATOM 0 HG22 VAL A 146 -2.110 -2.826 1.117 1.00 0.20 H new ATOM 0 HG23 VAL A 146 -0.568 -2.018 1.487 1.00 0.20 H new ATOM 1217 N MET A 147 -2.145 -4.419 3.774 1.00 0.17 N ATOM 1218 CA MET A 147 -3.465 -4.594 4.333 1.00 0.18 C ATOM 1219 C MET A 147 -4.320 -3.385 3.986 1.00 0.15 C ATOM 1220 O MET A 147 -4.199 -2.330 4.609 1.00 0.19 O ATOM 1221 CB MET A 147 -3.384 -4.750 5.855 1.00 0.24 C ATOM 1222 CG MET A 147 -2.455 -5.856 6.332 1.00 0.26 C ATOM 1223 SD MET A 147 -2.964 -7.492 5.779 1.00 0.95 S ATOM 1224 CE MET A 147 -1.972 -8.518 6.857 1.00 1.62 C ATOM 0 H MET A 147 -1.527 -3.829 4.331 1.00 0.17 H new ATOM 0 HA MET A 147 -3.913 -5.495 3.914 1.00 0.18 H new ATOM 0 HB2 MET A 147 -3.053 -3.805 6.286 1.00 0.24 H new ATOM 0 HB3 MET A 147 -4.385 -4.943 6.241 1.00 0.24 H new ATOM 0 HG2 MET A 147 -1.446 -5.655 5.973 1.00 0.26 H new ATOM 0 HG3 MET A 147 -2.414 -5.843 7.421 1.00 0.26 H new ATOM 0 HE1 MET A 147 -1.266 -9.096 6.261 1.00 1.62 H new ATOM 0 HE2 MET A 147 -1.425 -7.887 7.558 1.00 1.62 H new ATOM 0 HE3 MET A 147 -2.620 -9.197 7.411 1.00 1.62 H new ATOM 1234 N ILE A 148 -5.177 -3.536 2.990 1.00 0.12 N ATOM 1235 CA ILE A 148 -6.056 -2.451 2.580 1.00 0.09 C ATOM 1236 C ILE A 148 -7.501 -2.836 2.791 1.00 0.10 C ATOM 1237 O ILE A 148 -7.911 -3.938 2.417 1.00 0.14 O ATOM 1238 CB ILE A 148 -5.904 -2.083 1.093 1.00 0.11 C ATOM 1239 CG1 ILE A 148 -4.450 -1.795 0.739 1.00 0.12 C ATOM 1240 CG2 ILE A 148 -6.781 -0.884 0.787 1.00 0.19 C ATOM 1241 CD1 ILE A 148 -4.229 -1.515 -0.732 1.00 0.14 C ATOM 0 H ILE A 148 -5.284 -4.396 2.451 1.00 0.12 H new ATOM 0 HA ILE A 148 -5.770 -1.595 3.192 1.00 0.09 H new ATOM 0 HB ILE A 148 -6.221 -2.930 0.485 1.00 0.11 H new ATOM 0 HG12 ILE A 148 -4.106 -0.939 1.319 1.00 0.12 H new ATOM 0 HG13 ILE A 148 -3.837 -2.647 1.034 1.00 0.12 H new ATOM 0 HG21 ILE A 148 -6.679 -0.617 -0.265 1.00 0.19 H new ATOM 0 HG22 ILE A 148 -7.821 -1.131 0.999 1.00 0.19 H new ATOM 0 HG23 ILE A 148 -6.474 -0.041 1.406 1.00 0.19 H new ATOM 0 HD11 ILE A 148 -3.172 -1.319 -0.910 1.00 0.14 H new ATOM 0 HD12 ILE A 148 -4.541 -2.379 -1.318 1.00 0.14 H new ATOM 0 HD13 ILE A 148 -4.815 -0.645 -1.029 1.00 0.14 H new ATOM 1253 N LYS A 149 -8.275 -1.932 3.363 1.00 0.12 N ATOM 1254 CA LYS A 149 -9.702 -2.170 3.529 1.00 0.16 C ATOM 1255 C LYS A 149 -10.496 -0.998 2.967 1.00 0.22 C ATOM 1256 O LYS A 149 -10.754 -0.021 3.671 1.00 0.34 O ATOM 1257 CB LYS A 149 -10.054 -2.375 5.005 1.00 0.22 C ATOM 1258 CG LYS A 149 -9.138 -3.352 5.730 1.00 0.35 C ATOM 1259 CD LYS A 149 -9.118 -4.738 5.113 1.00 0.66 C ATOM 1260 CE LYS A 149 -10.503 -5.263 4.877 1.00 0.76 C ATOM 1261 NZ LYS A 149 -11.154 -5.742 6.125 1.00 1.18 N ATOM 0 H LYS A 149 -7.947 -1.034 3.718 1.00 0.12 H new ATOM 0 HA LYS A 149 -9.962 -3.077 2.983 1.00 0.16 H new ATOM 0 HB2 LYS A 149 -10.017 -1.412 5.514 1.00 0.22 H new ATOM 0 HB3 LYS A 149 -11.081 -2.734 5.077 1.00 0.22 H new ATOM 0 HG2 LYS A 149 -8.124 -2.951 5.735 1.00 0.35 H new ATOM 0 HG3 LYS A 149 -9.455 -3.431 6.770 1.00 0.35 H new ATOM 0 HD2 LYS A 149 -8.575 -4.707 4.168 1.00 0.66 H new ATOM 0 HD3 LYS A 149 -8.578 -5.420 5.769 1.00 0.66 H new ATOM 0 HE2 LYS A 149 -11.114 -4.478 4.431 1.00 0.76 H new ATOM 0 HE3 LYS A 149 -10.460 -6.081 4.157 1.00 0.76 H new ATOM 0 HZ1 LYS A 149 -12.108 -6.094 5.906 1.00 1.18 H new ATOM 0 HZ2 LYS A 149 -10.588 -6.510 6.539 1.00 1.18 H new ATOM 0 HZ3 LYS A 149 -11.222 -4.957 6.804 1.00 1.18 H new ATOM 1275 N PRO A 150 -10.869 -1.071 1.679 1.00 0.23 N ATOM 1276 CA PRO A 150 -11.654 -0.024 1.025 1.00 0.30 C ATOM 1277 C PRO A 150 -12.977 0.212 1.739 1.00 0.45 C ATOM 1278 O PRO A 150 -13.708 -0.734 2.045 1.00 0.78 O ATOM 1279 CB PRO A 150 -11.895 -0.568 -0.386 1.00 0.47 C ATOM 1280 CG PRO A 150 -10.833 -1.590 -0.590 1.00 0.44 C ATOM 1281 CD PRO A 150 -10.566 -2.181 0.764 1.00 0.29 C ATOM 0 HA PRO A 150 -11.140 0.937 1.030 1.00 0.30 H new ATOM 0 HB2 PRO A 150 -12.888 -1.008 -0.475 1.00 0.47 H new ATOM 0 HB3 PRO A 150 -11.829 0.225 -1.131 1.00 0.47 H new ATOM 0 HG2 PRO A 150 -11.158 -2.356 -1.294 1.00 0.44 H new ATOM 0 HG3 PRO A 150 -9.931 -1.139 -1.004 1.00 0.44 H new ATOM 0 HD2 PRO A 150 -11.199 -3.047 0.958 1.00 0.29 H new ATOM 0 HD3 PRO A 150 -9.533 -2.513 0.862 1.00 0.29 H new