USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=26 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 30:sc= 0.677 USER MOD Set 1.2: A 141 ASN : amide:sc= 1.16 K(o=1.8,f=1.2) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 172:sc=-0.00657 (180deg=-0.086) USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= 0.0297 (180deg=-0.226) USER MOD Single : A 82 GLN : amide:sc= -0.933 K(o=-0.93,f=-4!) USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.033) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : +bothHN:sc= 2.16 K(o=2.2,f=-8.8!) 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 -90:sc= -2.7! USER MOD Single : A 100 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 102 LYS NZ :NH3+ -141:sc= -0.194 (180deg=-1.21) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.451 F(o=-2.3,f=-0.45) USER MOD Single : A 104 HIS : no HD1:sc= -0.145 X(o=-0.14,f=0.019) USER MOD Single : A 107 SER OG : rot -16:sc= 1.31 USER MOD Single : A 110 LYS NZ :NH3+ -148:sc= 1.21 (180deg=0.908) USER MOD Single : A 112 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot -32:sc= 0.124 USER MOD Single : A 118 LYS NZ :NH3+ 158:sc= -0.34 (180deg=-1.97) USER MOD Single : A 122 LYS NZ :NH3+ 173:sc=-0.00435 (180deg=-0.0767) USER MOD Single : A 124 LYS NZ :NH3+ 166:sc= -0.0349 (180deg=-0.247) USER MOD Single : A 127 HIS : no HD1:sc= -0.0519 X(o=-0.052,f=-0.5) USER MOD Single : A 129 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.7!) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.11) USER MOD Single : A 142 SER OG : rot -88:sc= 1.25 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 -176:sc= 0 (180deg=-0.00216) USER MOD Single : A 149 LYS NZ :NH3+ 166:sc=-0.00672 (180deg=-0.137) USER MOD ----------------------------------------------------------------- ATOM 54 N LEU A 76 8.306 -3.243 -5.325 1.00 0.41 N ATOM 55 CA LEU A 76 7.481 -3.584 -4.180 1.00 0.29 C ATOM 56 C LEU A 76 6.275 -4.407 -4.618 1.00 0.23 C ATOM 57 O LEU A 76 5.420 -3.932 -5.368 1.00 0.28 O ATOM 58 CB LEU A 76 7.012 -2.319 -3.438 1.00 0.26 C ATOM 59 CG LEU A 76 8.111 -1.497 -2.744 1.00 0.35 C ATOM 60 CD1 LEU A 76 8.955 -0.735 -3.754 1.00 0.54 C ATOM 61 CD2 LEU A 76 7.505 -0.533 -1.733 1.00 0.27 C ATOM 0 HA LEU A 76 8.088 -4.178 -3.497 1.00 0.29 H new ATOM 0 HB2 LEU A 76 6.499 -1.673 -4.151 1.00 0.26 H new ATOM 0 HB3 LEU A 76 6.278 -2.613 -2.688 1.00 0.26 H new ATOM 0 HG LEU A 76 8.761 -2.196 -2.218 1.00 0.35 H new ATOM 0 HD11 LEU A 76 9.722 -0.165 -3.230 1.00 0.54 H new ATOM 0 HD12 LEU A 76 9.430 -1.440 -4.437 1.00 0.54 H new ATOM 0 HD13 LEU A 76 8.319 -0.054 -4.320 1.00 0.54 H new ATOM 0 HD21 LEU A 76 8.300 0.039 -1.254 1.00 0.27 H new ATOM 0 HD22 LEU A 76 6.825 0.149 -2.243 1.00 0.27 H new ATOM 0 HD23 LEU A 76 6.956 -1.095 -0.978 1.00 0.27 H new ATOM 73 N THR A 77 6.221 -5.648 -4.166 1.00 0.20 N ATOM 74 CA THR A 77 5.078 -6.499 -4.430 1.00 0.16 C ATOM 75 C THR A 77 4.046 -6.311 -3.331 1.00 0.16 C ATOM 76 O THR A 77 4.150 -6.902 -2.259 1.00 0.20 O ATOM 77 CB THR A 77 5.489 -7.982 -4.523 1.00 0.15 C ATOM 78 OG1 THR A 77 6.459 -8.143 -5.568 1.00 0.21 O ATOM 79 CG2 THR A 77 4.283 -8.878 -4.794 1.00 0.26 C ATOM 0 H THR A 77 6.957 -6.088 -3.614 1.00 0.20 H new ATOM 0 HA THR A 77 4.650 -6.214 -5.391 1.00 0.16 H new ATOM 0 HB THR A 77 5.919 -8.279 -3.567 1.00 0.15 H new ATOM 0 HG1 THR A 77 6.723 -9.085 -5.627 1.00 0.21 H new ATOM 0 HG21 THR A 77 4.608 -9.917 -4.854 1.00 0.26 H new ATOM 0 HG22 THR A 77 3.560 -8.770 -3.985 1.00 0.26 H new ATOM 0 HG23 THR A 77 3.819 -8.588 -5.737 1.00 0.26 H new ATOM 87 N LEU A 78 3.064 -5.467 -3.598 1.00 0.17 N ATOM 88 CA LEU A 78 2.050 -5.148 -2.612 1.00 0.20 C ATOM 89 C LEU A 78 1.016 -6.262 -2.568 1.00 0.18 C ATOM 90 O LEU A 78 0.088 -6.317 -3.381 1.00 0.20 O ATOM 91 CB LEU A 78 1.393 -3.804 -2.934 1.00 0.22 C ATOM 92 CG LEU A 78 2.371 -2.643 -3.154 1.00 0.30 C ATOM 93 CD1 LEU A 78 1.620 -1.368 -3.490 1.00 0.69 C ATOM 94 CD2 LEU A 78 3.246 -2.436 -1.926 1.00 0.72 C ATOM 0 H LEU A 78 2.949 -4.990 -4.492 1.00 0.17 H new ATOM 0 HA LEU A 78 2.517 -5.063 -1.631 1.00 0.20 H new ATOM 0 HB2 LEU A 78 0.782 -3.920 -3.829 1.00 0.22 H new ATOM 0 HB3 LEU A 78 0.718 -3.542 -2.119 1.00 0.22 H new ATOM 0 HG LEU A 78 3.015 -2.896 -3.996 1.00 0.30 H new ATOM 0 HD11 LEU A 78 2.331 -0.556 -3.642 1.00 0.69 H new ATOM 0 HD12 LEU A 78 1.039 -1.517 -4.400 1.00 0.69 H new ATOM 0 HD13 LEU A 78 0.950 -1.114 -2.669 1.00 0.69 H new ATOM 0 HD21 LEU A 78 3.932 -1.608 -2.104 1.00 0.72 H new ATOM 0 HD22 LEU A 78 2.617 -2.208 -1.065 1.00 0.72 H new ATOM 0 HD23 LEU A 78 3.816 -3.344 -1.728 1.00 0.72 H new ATOM 106 N LYS A 79 1.207 -7.157 -1.619 1.00 0.19 N ATOM 107 CA LYS A 79 0.387 -8.340 -1.488 1.00 0.19 C ATOM 108 C LYS A 79 -0.739 -8.085 -0.492 1.00 0.17 C ATOM 109 O LYS A 79 -0.528 -8.083 0.723 1.00 0.18 O ATOM 110 CB LYS A 79 1.274 -9.499 -1.033 1.00 0.29 C ATOM 111 CG LYS A 79 0.636 -10.869 -1.141 1.00 0.35 C ATOM 112 CD LYS A 79 1.647 -11.957 -0.814 1.00 0.88 C ATOM 113 CE LYS A 79 1.019 -13.337 -0.822 1.00 0.97 C ATOM 114 NZ LYS A 79 0.472 -13.699 -2.154 1.00 1.39 N ATOM 0 H LYS A 79 1.940 -7.081 -0.914 1.00 0.19 H new ATOM 0 HA LYS A 79 -0.068 -8.593 -2.445 1.00 0.19 H new ATOM 0 HB2 LYS A 79 2.189 -9.492 -1.626 1.00 0.29 H new ATOM 0 HB3 LYS A 79 1.565 -9.330 0.004 1.00 0.29 H new ATOM 0 HG2 LYS A 79 -0.212 -10.936 -0.459 1.00 0.35 H new ATOM 0 HG3 LYS A 79 0.247 -11.017 -2.149 1.00 0.35 H new ATOM 0 HD2 LYS A 79 2.461 -11.925 -1.538 1.00 0.88 H new ATOM 0 HD3 LYS A 79 2.084 -11.763 0.166 1.00 0.88 H new ATOM 0 HE2 LYS A 79 1.764 -14.075 -0.525 1.00 0.97 H new ATOM 0 HE3 LYS A 79 0.220 -13.375 -0.081 1.00 0.97 H new ATOM 0 HZ1 LYS A 79 0.176 -14.696 -2.149 1.00 1.39 H new ATOM 0 HZ2 LYS A 79 -0.348 -13.096 -2.368 1.00 1.39 H new ATOM 0 HZ3 LYS A 79 1.204 -13.559 -2.880 1.00 1.39 H new ATOM 128 N LYS A 80 -1.932 -7.853 -1.017 1.00 0.20 N ATOM 129 CA LYS A 80 -3.087 -7.537 -0.193 1.00 0.20 C ATOM 130 C LYS A 80 -3.845 -8.800 0.178 1.00 0.26 C ATOM 131 O LYS A 80 -4.567 -9.371 -0.638 1.00 0.30 O ATOM 132 CB LYS A 80 -4.012 -6.567 -0.928 1.00 0.18 C ATOM 133 CG LYS A 80 -5.292 -6.249 -0.174 1.00 0.21 C ATOM 134 CD LYS A 80 -6.128 -5.240 -0.939 1.00 0.26 C ATOM 135 CE LYS A 80 -7.488 -5.029 -0.303 1.00 0.30 C ATOM 136 NZ LYS A 80 -8.289 -4.009 -1.033 1.00 0.40 N ATOM 0 H LYS A 80 -2.126 -7.878 -2.018 1.00 0.20 H new ATOM 0 HA LYS A 80 -2.734 -7.064 0.724 1.00 0.20 H new ATOM 0 HB2 LYS A 80 -3.473 -5.639 -1.117 1.00 0.18 H new ATOM 0 HB3 LYS A 80 -4.269 -6.990 -1.899 1.00 0.18 H new ATOM 0 HG2 LYS A 80 -5.866 -7.163 -0.020 1.00 0.21 H new ATOM 0 HG3 LYS A 80 -5.050 -5.855 0.813 1.00 0.21 H new ATOM 0 HD2 LYS A 80 -5.597 -4.289 -0.983 1.00 0.26 H new ATOM 0 HD3 LYS A 80 -6.257 -5.581 -1.966 1.00 0.26 H new ATOM 0 HE2 LYS A 80 -8.032 -5.974 -0.286 1.00 0.30 H new ATOM 0 HE3 LYS A 80 -7.360 -4.717 0.733 1.00 0.30 H new ATOM 0 HZ1 LYS A 80 -9.274 -4.037 -0.700 1.00 0.40 H new ATOM 0 HZ2 LYS A 80 -7.891 -3.064 -0.858 1.00 0.40 H new ATOM 0 HZ3 LYS A 80 -8.263 -4.212 -2.053 1.00 0.40 H new ATOM 150 N ILE A 81 -3.693 -9.211 1.420 1.00 0.33 N ATOM 151 CA ILE A 81 -4.313 -10.437 1.903 1.00 0.42 C ATOM 152 C ILE A 81 -5.488 -10.122 2.823 1.00 0.42 C ATOM 153 O ILE A 81 -5.843 -10.913 3.695 1.00 0.46 O ATOM 154 CB ILE A 81 -3.292 -11.332 2.648 1.00 0.53 C ATOM 155 CG1 ILE A 81 -2.689 -10.593 3.853 1.00 0.51 C ATOM 156 CG2 ILE A 81 -2.194 -11.780 1.692 1.00 0.64 C ATOM 157 CD1 ILE A 81 -1.776 -11.453 4.701 1.00 0.63 C ATOM 0 H ILE A 81 -3.143 -8.714 2.120 1.00 0.33 H new ATOM 0 HA ILE A 81 -4.677 -10.982 1.032 1.00 0.42 H new ATOM 0 HB ILE A 81 -3.815 -12.212 3.022 1.00 0.53 H new ATOM 0 HG12 ILE A 81 -2.130 -9.729 3.495 1.00 0.51 H new ATOM 0 HG13 ILE A 81 -3.498 -10.213 4.477 1.00 0.51 H new ATOM 0 HG21 ILE A 81 -1.481 -12.409 2.226 1.00 0.64 H new ATOM 0 HG22 ILE A 81 -2.635 -12.347 0.872 1.00 0.64 H new ATOM 0 HG23 ILE A 81 -1.679 -10.906 1.294 1.00 0.64 H new ATOM 0 HD11 ILE A 81 -1.389 -10.863 5.532 1.00 0.63 H new ATOM 0 HD12 ILE A 81 -2.335 -12.304 5.090 1.00 0.63 H new ATOM 0 HD13 ILE A 81 -0.946 -11.812 4.093 1.00 0.63 H new ATOM 169 N GLN A 82 -6.101 -8.964 2.612 1.00 0.44 N ATOM 170 CA GLN A 82 -7.179 -8.509 3.480 1.00 0.47 C ATOM 171 C GLN A 82 -8.557 -8.712 2.846 1.00 0.49 C ATOM 172 O GLN A 82 -9.119 -9.801 2.920 1.00 0.54 O ATOM 173 CB GLN A 82 -6.966 -7.048 3.866 1.00 0.46 C ATOM 174 CG GLN A 82 -5.792 -6.846 4.809 1.00 0.47 C ATOM 175 CD GLN A 82 -5.976 -7.581 6.122 1.00 0.57 C ATOM 176 OE1 GLN A 82 -7.096 -7.753 6.596 1.00 1.22 O ATOM 177 NE2 GLN A 82 -4.881 -8.030 6.712 1.00 1.15 N ATOM 0 H GLN A 82 -5.871 -8.325 1.851 1.00 0.44 H new ATOM 0 HA GLN A 82 -7.154 -9.120 4.382 1.00 0.47 H new ATOM 0 HB2 GLN A 82 -6.804 -6.460 2.963 1.00 0.46 H new ATOM 0 HB3 GLN A 82 -7.872 -6.667 4.337 1.00 0.46 H new ATOM 0 HG2 GLN A 82 -4.878 -7.192 4.327 1.00 0.47 H new ATOM 0 HG3 GLN A 82 -5.666 -5.781 5.006 1.00 0.47 H new ATOM 0 HE21 GLN A 82 -3.969 -7.867 6.286 1.00 1.15 H new ATOM 0 HE22 GLN A 82 -4.949 -8.540 7.593 1.00 1.15 H new ATOM 186 N ALA A 83 -9.099 -7.671 2.216 1.00 0.46 N ATOM 187 CA ALA A 83 -10.405 -7.771 1.566 1.00 0.50 C ATOM 188 C ALA A 83 -10.568 -6.685 0.505 1.00 0.47 C ATOM 189 O ALA A 83 -10.233 -5.526 0.745 1.00 0.47 O ATOM 190 CB ALA A 83 -11.523 -7.675 2.596 1.00 0.60 C ATOM 0 H ALA A 83 -8.658 -6.754 2.142 1.00 0.46 H new ATOM 0 HA ALA A 83 -10.465 -8.742 1.075 1.00 0.50 H new ATOM 0 HB1 ALA A 83 -12.488 -7.751 2.094 1.00 0.60 H new ATOM 0 HB2 ALA A 83 -11.424 -8.486 3.317 1.00 0.60 H new ATOM 0 HB3 ALA A 83 -11.459 -6.719 3.115 1.00 0.60 H new ATOM 196 N PRO A 84 -11.044 -7.045 -0.702 1.00 0.48 N ATOM 197 CA PRO A 84 -11.355 -8.430 -1.073 1.00 0.48 C ATOM 198 C PRO A 84 -10.118 -9.195 -1.547 1.00 0.40 C ATOM 199 O PRO A 84 -10.228 -10.226 -2.210 1.00 0.39 O ATOM 200 CB PRO A 84 -12.352 -8.257 -2.215 1.00 0.53 C ATOM 201 CG PRO A 84 -11.948 -6.983 -2.876 1.00 0.77 C ATOM 202 CD PRO A 84 -11.346 -6.111 -1.802 1.00 0.54 C ATOM 0 HA PRO A 84 -11.738 -9.011 -0.234 1.00 0.48 H new ATOM 0 HB2 PRO A 84 -12.308 -9.096 -2.910 1.00 0.53 H new ATOM 0 HB3 PRO A 84 -13.375 -8.204 -1.843 1.00 0.53 H new ATOM 0 HG2 PRO A 84 -11.227 -7.171 -3.671 1.00 0.77 H new ATOM 0 HG3 PRO A 84 -12.808 -6.495 -3.334 1.00 0.77 H new ATOM 0 HD2 PRO A 84 -10.446 -5.608 -2.156 1.00 0.54 H new ATOM 0 HD3 PRO A 84 -12.041 -5.334 -1.484 1.00 0.54 H new ATOM 210 N LYS A 85 -8.946 -8.656 -1.195 1.00 0.35 N ATOM 211 CA LYS A 85 -7.646 -9.280 -1.480 1.00 0.30 C ATOM 212 C LYS A 85 -7.240 -9.159 -2.949 1.00 0.27 C ATOM 213 O LYS A 85 -8.068 -9.240 -3.854 1.00 0.31 O ATOM 214 CB LYS A 85 -7.616 -10.759 -1.064 1.00 0.34 C ATOM 215 CG LYS A 85 -7.879 -10.997 0.414 1.00 0.41 C ATOM 216 CD LYS A 85 -7.582 -12.436 0.821 1.00 0.50 C ATOM 217 CE LYS A 85 -8.418 -13.441 0.040 1.00 1.33 C ATOM 218 NZ LYS A 85 -9.873 -13.290 0.305 1.00 1.96 N ATOM 0 H LYS A 85 -8.870 -7.767 -0.700 1.00 0.35 H new ATOM 0 HA LYS A 85 -6.923 -8.726 -0.881 1.00 0.30 H new ATOM 0 HB2 LYS A 85 -8.360 -11.303 -1.646 1.00 0.34 H new ATOM 0 HB3 LYS A 85 -6.642 -11.177 -1.320 1.00 0.34 H new ATOM 0 HG2 LYS A 85 -7.265 -10.318 1.006 1.00 0.41 H new ATOM 0 HG3 LYS A 85 -8.920 -10.764 0.640 1.00 0.41 H new ATOM 0 HD2 LYS A 85 -6.524 -12.645 0.662 1.00 0.50 H new ATOM 0 HD3 LYS A 85 -7.774 -12.557 1.887 1.00 0.50 H new ATOM 0 HE2 LYS A 85 -8.230 -13.316 -1.026 1.00 1.33 H new ATOM 0 HE3 LYS A 85 -8.106 -14.452 0.302 1.00 1.33 H new ATOM 0 HZ1 LYS A 85 -10.395 -14.047 -0.181 1.00 1.96 H new ATOM 0 HZ2 LYS A 85 -10.048 -13.351 1.328 1.00 1.96 H new ATOM 0 HZ3 LYS A 85 -10.196 -12.366 -0.047 1.00 1.96 H new ATOM 232 N PHE A 86 -5.944 -8.965 -3.152 1.00 0.24 N ATOM 233 CA PHE A 86 -5.324 -8.966 -4.475 1.00 0.23 C ATOM 234 C PHE A 86 -3.812 -8.960 -4.295 1.00 0.22 C ATOM 235 O PHE A 86 -3.331 -8.882 -3.168 1.00 0.24 O ATOM 236 CB PHE A 86 -5.781 -7.772 -5.345 1.00 0.26 C ATOM 237 CG PHE A 86 -5.445 -6.396 -4.814 1.00 0.25 C ATOM 238 CD1 PHE A 86 -4.128 -5.982 -4.679 1.00 0.27 C ATOM 239 CD2 PHE A 86 -6.455 -5.508 -4.478 1.00 0.30 C ATOM 240 CE1 PHE A 86 -3.825 -4.718 -4.214 1.00 0.30 C ATOM 241 CE2 PHE A 86 -6.156 -4.240 -4.012 1.00 0.32 C ATOM 242 CZ PHE A 86 -4.839 -3.846 -3.880 1.00 0.28 C ATOM 0 H PHE A 86 -5.282 -8.800 -2.393 1.00 0.24 H new ATOM 0 HA PHE A 86 -5.639 -9.863 -5.008 1.00 0.23 H new ATOM 0 HB2 PHE A 86 -5.334 -7.877 -6.334 1.00 0.26 H new ATOM 0 HB3 PHE A 86 -6.861 -7.835 -5.475 1.00 0.26 H new ATOM 0 HD1 PHE A 86 -3.328 -6.658 -4.941 1.00 0.27 H new ATOM 0 HD2 PHE A 86 -7.487 -5.809 -4.581 1.00 0.30 H new ATOM 0 HE1 PHE A 86 -2.794 -4.413 -4.112 1.00 0.30 H new ATOM 0 HE2 PHE A 86 -6.952 -3.559 -3.752 1.00 0.32 H new ATOM 0 HZ PHE A 86 -4.604 -2.857 -3.516 1.00 0.28 H new ATOM 252 N SER A 87 -3.065 -9.049 -5.376 1.00 0.22 N ATOM 253 CA SER A 87 -1.617 -8.974 -5.289 1.00 0.24 C ATOM 254 C SER A 87 -1.062 -8.243 -6.504 1.00 0.23 C ATOM 255 O SER A 87 -1.203 -8.701 -7.641 1.00 0.31 O ATOM 256 CB SER A 87 -1.011 -10.375 -5.168 1.00 0.34 C ATOM 257 OG SER A 87 0.361 -10.314 -4.814 1.00 1.32 O ATOM 0 H SER A 87 -3.431 -9.173 -6.320 1.00 0.22 H new ATOM 0 HA SER A 87 -1.345 -8.415 -4.394 1.00 0.24 H new ATOM 0 HB2 SER A 87 -1.557 -10.946 -4.418 1.00 0.34 H new ATOM 0 HB3 SER A 87 -1.121 -10.904 -6.114 1.00 0.34 H new ATOM 0 HG SER A 87 0.721 -11.223 -4.742 1.00 1.32 H new ATOM 263 N ILE A 88 -0.445 -7.099 -6.257 1.00 0.18 N ATOM 264 CA ILE A 88 0.053 -6.249 -7.325 1.00 0.19 C ATOM 265 C ILE A 88 1.559 -6.070 -7.214 1.00 0.21 C ATOM 266 O ILE A 88 2.140 -6.264 -6.147 1.00 0.38 O ATOM 267 CB ILE A 88 -0.618 -4.861 -7.295 1.00 0.20 C ATOM 268 CG1 ILE A 88 -0.405 -4.212 -5.924 1.00 0.18 C ATOM 269 CG2 ILE A 88 -2.102 -4.976 -7.625 1.00 0.20 C ATOM 270 CD1 ILE A 88 -1.048 -2.853 -5.767 1.00 0.21 C ATOM 0 H ILE A 88 -0.276 -6.736 -5.319 1.00 0.18 H new ATOM 0 HA ILE A 88 -0.189 -6.742 -8.267 1.00 0.19 H new ATOM 0 HB ILE A 88 -0.159 -4.226 -8.053 1.00 0.20 H new ATOM 0 HG12 ILE A 88 -0.799 -4.877 -5.156 1.00 0.18 H new ATOM 0 HG13 ILE A 88 0.666 -4.116 -5.744 1.00 0.18 H new ATOM 0 HG21 ILE A 88 -2.558 -3.986 -7.599 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.221 -5.404 -8.620 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -2.589 -5.619 -6.892 1.00 0.20 H new ATOM 0 HD11 ILE A 88 -0.847 -2.468 -4.767 1.00 0.21 H new ATOM 0 HD12 ILE A 88 -0.637 -2.168 -6.509 1.00 0.21 H new ATOM 0 HD13 ILE A 88 -2.125 -2.941 -5.912 1.00 0.21 H new ATOM 282 N GLU A 89 2.183 -5.693 -8.313 1.00 0.21 N ATOM 283 CA GLU A 89 3.614 -5.452 -8.335 1.00 0.25 C ATOM 284 C GLU A 89 3.879 -4.037 -8.820 1.00 0.24 C ATOM 285 O GLU A 89 3.544 -3.688 -9.951 1.00 0.33 O ATOM 286 CB GLU A 89 4.296 -6.467 -9.251 1.00 0.30 C ATOM 287 CG GLU A 89 4.037 -7.907 -8.848 1.00 1.02 C ATOM 288 CD GLU A 89 4.442 -8.893 -9.918 1.00 1.07 C ATOM 289 OE1 GLU A 89 3.674 -9.076 -10.883 1.00 1.45 O ATOM 290 OE2 GLU A 89 5.539 -9.483 -9.802 1.00 0.93 O ATOM 0 H GLU A 89 1.718 -5.546 -9.209 1.00 0.21 H new ATOM 0 HA GLU A 89 4.020 -5.564 -7.330 1.00 0.25 H new ATOM 0 HB2 GLU A 89 3.949 -6.315 -10.273 1.00 0.30 H new ATOM 0 HB3 GLU A 89 5.370 -6.284 -9.249 1.00 0.30 H new ATOM 0 HG2 GLU A 89 4.583 -8.127 -7.931 1.00 1.02 H new ATOM 0 HG3 GLU A 89 2.977 -8.033 -8.626 1.00 1.02 H new ATOM 297 N HIS A 90 4.458 -3.217 -7.961 1.00 0.24 N ATOM 298 CA HIS A 90 4.691 -1.817 -8.281 1.00 0.28 C ATOM 299 C HIS A 90 6.099 -1.399 -7.878 1.00 0.33 C ATOM 300 O HIS A 90 6.490 -1.539 -6.721 1.00 0.44 O ATOM 301 CB HIS A 90 3.666 -0.922 -7.574 1.00 0.36 C ATOM 302 CG HIS A 90 2.312 -0.870 -8.226 1.00 1.10 C ATOM 303 ND1 HIS A 90 1.974 -1.593 -9.349 1.00 1.86 N ATOM 304 CD2 HIS A 90 1.206 -0.159 -7.897 1.00 1.51 C ATOM 305 CE1 HIS A 90 0.724 -1.328 -9.681 1.00 2.42 C ATOM 306 NE2 HIS A 90 0.233 -0.460 -8.816 1.00 2.20 N ATOM 0 H HIS A 90 4.777 -3.496 -7.033 1.00 0.24 H new ATOM 0 HA HIS A 90 4.582 -1.698 -9.359 1.00 0.28 H new ATOM 0 HB2 HIS A 90 3.546 -1.272 -6.549 1.00 0.36 H new ATOM 0 HB3 HIS A 90 4.066 0.091 -7.520 1.00 0.36 H new ATOM 0 HD1 HIS A 90 2.593 -2.233 -9.846 1.00 1.86 H new ATOM 0 HD2 HIS A 90 1.108 0.521 -7.063 1.00 1.51 H new ATOM 0 HE1 HIS A 90 0.192 -1.751 -10.520 1.00 2.42 H new ATOM 0 HE2 HIS A 90 -0.712 -0.077 -8.829 1.00 2.20 H new ATOM 315 N ASP A 91 6.865 -0.904 -8.836 1.00 0.39 N ATOM 316 CA ASP A 91 8.207 -0.415 -8.554 1.00 0.47 C ATOM 317 C ASP A 91 8.177 1.088 -8.329 1.00 0.45 C ATOM 318 O ASP A 91 7.383 1.804 -8.944 1.00 0.54 O ATOM 319 CB ASP A 91 9.174 -0.767 -9.691 1.00 0.65 C ATOM 320 CG ASP A 91 8.839 -0.079 -11.000 1.00 1.18 C ATOM 321 OD1 ASP A 91 7.875 -0.506 -11.674 1.00 1.83 O ATOM 322 OD2 ASP A 91 9.519 0.908 -11.351 1.00 1.73 O ATOM 0 H ASP A 91 6.583 -0.830 -9.813 1.00 0.39 H new ATOM 0 HA ASP A 91 8.565 -0.903 -7.647 1.00 0.47 H new ATOM 0 HB2 ASP A 91 10.187 -0.494 -9.394 1.00 0.65 H new ATOM 0 HB3 ASP A 91 9.166 -1.846 -9.844 1.00 0.65 H new ATOM 327 N PHE A 92 9.031 1.559 -7.434 1.00 0.40 N ATOM 328 CA PHE A 92 9.081 2.970 -7.079 1.00 0.43 C ATOM 329 C PHE A 92 10.526 3.407 -6.883 1.00 0.43 C ATOM 330 O PHE A 92 11.415 2.573 -6.711 1.00 0.45 O ATOM 331 CB PHE A 92 8.282 3.233 -5.795 1.00 0.44 C ATOM 332 CG PHE A 92 6.802 2.996 -5.934 1.00 0.55 C ATOM 333 CD1 PHE A 92 5.974 3.976 -6.456 1.00 0.83 C ATOM 334 CD2 PHE A 92 6.242 1.790 -5.546 1.00 0.53 C ATOM 335 CE1 PHE A 92 4.616 3.758 -6.584 1.00 0.97 C ATOM 336 CE2 PHE A 92 4.885 1.566 -5.672 1.00 0.68 C ATOM 337 CZ PHE A 92 4.068 2.564 -6.188 1.00 0.85 C ATOM 0 H PHE A 92 9.706 0.979 -6.935 1.00 0.40 H new ATOM 0 HA PHE A 92 8.637 3.545 -7.891 1.00 0.43 H new ATOM 0 HB2 PHE A 92 8.669 2.594 -5.002 1.00 0.44 H new ATOM 0 HB3 PHE A 92 8.446 4.264 -5.482 1.00 0.44 H new ATOM 0 HD1 PHE A 92 6.395 4.921 -6.766 1.00 0.83 H new ATOM 0 HD2 PHE A 92 6.875 1.015 -5.140 1.00 0.53 H new ATOM 0 HE1 PHE A 92 3.984 4.530 -6.997 1.00 0.97 H new ATOM 0 HE2 PHE A 92 4.461 0.619 -5.371 1.00 0.68 H new ATOM 0 HZ PHE A 92 3.004 2.401 -6.277 1.00 0.85 H new ATOM 347 N SER A 93 10.756 4.709 -6.920 1.00 0.48 N ATOM 348 CA SER A 93 12.091 5.253 -6.731 1.00 0.49 C ATOM 349 C SER A 93 12.496 5.172 -5.257 1.00 0.42 C ATOM 350 O SER A 93 11.664 5.342 -4.367 1.00 0.42 O ATOM 351 CB SER A 93 12.121 6.701 -7.216 1.00 0.63 C ATOM 352 OG SER A 93 11.690 6.791 -8.564 1.00 0.81 O ATOM 0 H SER A 93 10.033 5.411 -7.080 1.00 0.48 H new ATOM 0 HA SER A 93 12.804 4.667 -7.311 1.00 0.49 H new ATOM 0 HB2 SER A 93 11.480 7.314 -6.583 1.00 0.63 H new ATOM 0 HB3 SER A 93 13.132 7.098 -7.126 1.00 0.63 H new ATOM 0 HG SER A 93 11.715 7.727 -8.854 1.00 0.81 H new ATOM 358 N PRO A 94 13.787 4.915 -4.981 1.00 0.46 N ATOM 359 CA PRO A 94 14.292 4.745 -3.611 1.00 0.51 C ATOM 360 C PRO A 94 14.251 6.033 -2.792 1.00 0.52 C ATOM 361 O PRO A 94 14.592 6.034 -1.619 1.00 0.73 O ATOM 362 CB PRO A 94 15.740 4.293 -3.814 1.00 0.71 C ATOM 363 CG PRO A 94 16.112 4.815 -5.157 1.00 0.67 C ATOM 364 CD PRO A 94 14.858 4.761 -5.982 1.00 0.57 C ATOM 0 HA PRO A 94 13.680 4.039 -3.049 1.00 0.51 H new ATOM 0 HB2 PRO A 94 16.393 4.694 -3.038 1.00 0.71 H new ATOM 0 HB3 PRO A 94 15.826 3.207 -3.773 1.00 0.71 H new ATOM 0 HG2 PRO A 94 16.491 5.835 -5.088 1.00 0.67 H new ATOM 0 HG3 PRO A 94 16.901 4.211 -5.606 1.00 0.67 H new ATOM 0 HD2 PRO A 94 14.831 5.557 -6.726 1.00 0.57 H new ATOM 0 HD3 PRO A 94 14.772 3.818 -6.522 1.00 0.57 H new ATOM 372 N SER A 95 13.850 7.128 -3.412 1.00 0.47 N ATOM 373 CA SER A 95 13.701 8.384 -2.695 1.00 0.51 C ATOM 374 C SER A 95 12.236 8.802 -2.648 1.00 0.44 C ATOM 375 O SER A 95 11.907 9.920 -2.248 1.00 0.49 O ATOM 376 CB SER A 95 14.539 9.473 -3.349 1.00 0.62 C ATOM 377 OG SER A 95 15.887 9.055 -3.498 1.00 0.89 O ATOM 0 H SER A 95 13.622 7.175 -4.405 1.00 0.47 H new ATOM 0 HA SER A 95 14.054 8.240 -1.674 1.00 0.51 H new ATOM 0 HB2 SER A 95 14.121 9.722 -4.325 1.00 0.62 H new ATOM 0 HB3 SER A 95 14.500 10.379 -2.745 1.00 0.62 H new ATOM 0 HG SER A 95 16.406 9.770 -3.922 1.00 0.89 H new ATOM 383 N ASP A 96 11.362 7.896 -3.059 1.00 0.36 N ATOM 384 CA ASP A 96 9.932 8.152 -3.047 1.00 0.33 C ATOM 385 C ASP A 96 9.391 7.888 -1.649 1.00 0.26 C ATOM 386 O ASP A 96 10.118 7.398 -0.782 1.00 0.24 O ATOM 387 CB ASP A 96 9.231 7.260 -4.076 1.00 0.35 C ATOM 388 CG ASP A 96 7.916 7.841 -4.550 1.00 0.80 C ATOM 389 OD1 ASP A 96 7.625 9.013 -4.231 1.00 1.37 O ATOM 390 OD2 ASP A 96 7.152 7.114 -5.223 1.00 1.23 O ATOM 0 H ASP A 96 11.621 6.973 -3.406 1.00 0.36 H new ATOM 0 HA ASP A 96 9.741 9.192 -3.313 1.00 0.33 H new ATOM 0 HB2 ASP A 96 9.889 7.113 -4.933 1.00 0.35 H new ATOM 0 HB3 ASP A 96 9.053 6.278 -3.639 1.00 0.35 H new ATOM 395 N THR A 97 8.134 8.217 -1.416 1.00 0.28 N ATOM 396 CA THR A 97 7.535 8.004 -0.110 1.00 0.22 C ATOM 397 C THR A 97 6.401 6.997 -0.190 1.00 0.19 C ATOM 398 O THR A 97 5.751 6.860 -1.228 1.00 0.23 O ATOM 399 CB THR A 97 6.999 9.317 0.498 1.00 0.25 C ATOM 400 OG1 THR A 97 6.180 10.006 -0.452 1.00 0.32 O ATOM 401 CG2 THR A 97 8.136 10.221 0.937 1.00 0.31 C ATOM 0 H THR A 97 7.510 8.631 -2.109 1.00 0.28 H new ATOM 0 HA THR A 97 8.324 7.617 0.535 1.00 0.22 H new ATOM 0 HB THR A 97 6.402 9.059 1.373 1.00 0.25 H new ATOM 0 HG1 THR A 97 6.736 10.614 -0.983 1.00 0.32 H new ATOM 0 HG21 THR A 97 7.728 11.138 1.361 1.00 0.31 H new ATOM 0 HG22 THR A 97 8.738 9.710 1.688 1.00 0.31 H new ATOM 0 HG23 THR A 97 8.760 10.465 0.077 1.00 0.31 H new ATOM 409 N ILE A 98 6.171 6.297 0.914 1.00 0.17 N ATOM 410 CA ILE A 98 5.059 5.363 1.016 1.00 0.18 C ATOM 411 C ILE A 98 3.737 6.078 0.740 1.00 0.18 C ATOM 412 O ILE A 98 2.793 5.482 0.231 1.00 0.20 O ATOM 413 CB ILE A 98 5.014 4.699 2.414 1.00 0.18 C ATOM 414 CG1 ILE A 98 6.289 3.892 2.669 1.00 0.19 C ATOM 415 CG2 ILE A 98 3.794 3.800 2.550 1.00 0.24 C ATOM 416 CD1 ILE A 98 6.482 2.740 1.704 1.00 0.22 C ATOM 0 H ILE A 98 6.744 6.360 1.755 1.00 0.17 H new ATOM 0 HA ILE A 98 5.208 4.583 0.269 1.00 0.18 H new ATOM 0 HB ILE A 98 4.944 5.492 3.158 1.00 0.18 H new ATOM 0 HG12 ILE A 98 7.149 4.558 2.603 1.00 0.19 H new ATOM 0 HG13 ILE A 98 6.265 3.502 3.687 1.00 0.19 H new ATOM 0 HG21 ILE A 98 3.786 3.346 3.541 1.00 0.24 H new ATOM 0 HG22 ILE A 98 2.889 4.392 2.415 1.00 0.24 H new ATOM 0 HG23 ILE A 98 3.832 3.017 1.792 1.00 0.24 H new ATOM 0 HD11 ILE A 98 7.406 2.214 1.946 1.00 0.22 H new ATOM 0 HD12 ILE A 98 5.640 2.052 1.786 1.00 0.22 H new ATOM 0 HD13 ILE A 98 6.539 3.124 0.686 1.00 0.22 H new ATOM 428 N LEU A 99 3.689 7.368 1.056 1.00 0.19 N ATOM 429 CA LEU A 99 2.492 8.168 0.837 1.00 0.21 C ATOM 430 C LEU A 99 2.172 8.247 -0.645 1.00 0.20 C ATOM 431 O LEU A 99 1.006 8.217 -1.031 1.00 0.21 O ATOM 432 CB LEU A 99 2.664 9.570 1.438 1.00 0.27 C ATOM 433 CG LEU A 99 1.380 10.403 1.554 1.00 0.36 C ATOM 434 CD1 LEU A 99 1.475 11.347 2.736 1.00 0.71 C ATOM 435 CD2 LEU A 99 1.123 11.197 0.281 1.00 0.64 C ATOM 0 H LEU A 99 4.469 7.882 1.466 1.00 0.19 H new ATOM 0 HA LEU A 99 1.654 7.686 1.340 1.00 0.21 H new ATOM 0 HB2 LEU A 99 3.101 9.469 2.431 1.00 0.27 H new ATOM 0 HB3 LEU A 99 3.380 10.122 0.829 1.00 0.27 H new ATOM 0 HG LEU A 99 0.547 9.717 1.705 1.00 0.36 H new ATOM 0 HD11 LEU A 99 0.559 11.933 2.808 1.00 0.71 H new ATOM 0 HD12 LEU A 99 1.611 10.771 3.651 1.00 0.71 H new ATOM 0 HD13 LEU A 99 2.324 12.017 2.599 1.00 0.71 H new ATOM 0 HD21 LEU A 99 0.207 11.777 0.393 1.00 0.64 H new ATOM 0 HD22 LEU A 99 1.960 11.871 0.098 1.00 0.64 H new ATOM 0 HD23 LEU A 99 1.018 10.512 -0.560 1.00 0.64 H new ATOM 447 N GLN A 100 3.205 8.321 -1.478 1.00 0.20 N ATOM 448 CA GLN A 100 3.003 8.352 -2.918 1.00 0.21 C ATOM 449 C GLN A 100 2.453 7.012 -3.390 1.00 0.15 C ATOM 450 O GLN A 100 1.604 6.954 -4.275 1.00 0.13 O ATOM 451 CB GLN A 100 4.304 8.664 -3.657 1.00 0.29 C ATOM 452 CG GLN A 100 4.945 9.988 -3.269 1.00 0.39 C ATOM 453 CD GLN A 100 3.993 11.162 -3.339 1.00 0.45 C ATOM 454 OE1 GLN A 100 3.812 11.770 -4.394 1.00 0.70 O ATOM 455 NE2 GLN A 100 3.406 11.513 -2.207 1.00 0.53 N ATOM 0 H GLN A 100 4.180 8.360 -1.183 1.00 0.20 H new ATOM 0 HA GLN A 100 2.288 9.144 -3.142 1.00 0.21 H new ATOM 0 HB2 GLN A 100 5.016 7.861 -3.469 1.00 0.29 H new ATOM 0 HB3 GLN A 100 4.106 8.670 -4.729 1.00 0.29 H new ATOM 0 HG2 GLN A 100 5.338 9.909 -2.256 1.00 0.39 H new ATOM 0 HG3 GLN A 100 5.793 10.178 -3.926 1.00 0.39 H new ATOM 0 HE21 GLN A 100 3.583 10.982 -1.354 1.00 0.53 H new ATOM 0 HE22 GLN A 100 2.776 12.315 -2.187 1.00 0.53 H new ATOM 464 N ILE A 101 2.942 5.940 -2.779 1.00 0.13 N ATOM 465 CA ILE A 101 2.464 4.597 -3.076 1.00 0.12 C ATOM 466 C ILE A 101 1.004 4.455 -2.662 1.00 0.10 C ATOM 467 O ILE A 101 0.185 3.891 -3.389 1.00 0.11 O ATOM 468 CB ILE A 101 3.304 3.532 -2.342 1.00 0.15 C ATOM 469 CG1 ILE A 101 4.786 3.702 -2.682 1.00 0.17 C ATOM 470 CG2 ILE A 101 2.826 2.130 -2.702 1.00 0.20 C ATOM 471 CD1 ILE A 101 5.687 2.707 -1.985 1.00 0.21 C ATOM 0 H ILE A 101 3.674 5.976 -2.070 1.00 0.13 H new ATOM 0 HA ILE A 101 2.560 4.441 -4.150 1.00 0.12 H new ATOM 0 HB ILE A 101 3.177 3.668 -1.268 1.00 0.15 H new ATOM 0 HG12 ILE A 101 4.916 3.604 -3.760 1.00 0.17 H new ATOM 0 HG13 ILE A 101 5.098 4.711 -2.414 1.00 0.17 H new ATOM 0 HG21 ILE A 101 3.431 1.393 -2.174 1.00 0.20 H new ATOM 0 HG22 ILE A 101 1.781 2.016 -2.413 1.00 0.20 H new ATOM 0 HG23 ILE A 101 2.924 1.977 -3.777 1.00 0.20 H new ATOM 0 HD11 ILE A 101 6.722 2.889 -2.274 1.00 0.21 H new ATOM 0 HD12 ILE A 101 5.587 2.819 -0.905 1.00 0.21 H new ATOM 0 HD13 ILE A 101 5.402 1.695 -2.272 1.00 0.21 H new ATOM 483 N LYS A 102 0.688 4.985 -1.491 1.00 0.13 N ATOM 484 CA LYS A 102 -0.665 4.943 -0.967 1.00 0.17 C ATOM 485 C LYS A 102 -1.611 5.765 -1.841 1.00 0.15 C ATOM 486 O LYS A 102 -2.678 5.292 -2.229 1.00 0.17 O ATOM 487 CB LYS A 102 -0.687 5.447 0.475 1.00 0.28 C ATOM 488 CG LYS A 102 0.112 4.585 1.441 1.00 0.50 C ATOM 489 CD LYS A 102 -0.072 5.049 2.876 1.00 0.94 C ATOM 490 CE LYS A 102 0.595 4.109 3.867 1.00 0.81 C ATOM 491 NZ LYS A 102 -0.011 4.212 5.222 1.00 0.83 N ATOM 0 H LYS A 102 1.359 5.453 -0.881 1.00 0.13 H new ATOM 0 HA LYS A 102 -1.009 3.909 -0.980 1.00 0.17 H new ATOM 0 HB2 LYS A 102 -0.294 6.464 0.500 1.00 0.28 H new ATOM 0 HB3 LYS A 102 -1.721 5.496 0.817 1.00 0.28 H new ATOM 0 HG2 LYS A 102 -0.202 3.545 1.350 1.00 0.50 H new ATOM 0 HG3 LYS A 102 1.169 4.623 1.177 1.00 0.50 H new ATOM 0 HD2 LYS A 102 0.344 6.050 2.990 1.00 0.94 H new ATOM 0 HD3 LYS A 102 -1.136 5.118 3.101 1.00 0.94 H new ATOM 0 HE2 LYS A 102 0.510 3.083 3.508 1.00 0.81 H new ATOM 0 HE3 LYS A 102 1.659 4.339 3.926 1.00 0.81 H new ATOM 0 HZ1 LYS A 102 0.737 4.149 5.942 1.00 0.83 H new ATOM 0 HZ2 LYS A 102 -0.504 5.123 5.313 1.00 0.83 H new ATOM 0 HZ3 LYS A 102 -0.689 3.436 5.359 1.00 0.83 H new ATOM 505 N GLN A 103 -1.202 6.988 -2.170 1.00 0.14 N ATOM 506 CA GLN A 103 -1.965 7.840 -3.083 1.00 0.14 C ATOM 507 C GLN A 103 -2.106 7.168 -4.435 1.00 0.13 C ATOM 508 O GLN A 103 -3.059 7.410 -5.174 1.00 0.16 O ATOM 509 CB GLN A 103 -1.267 9.187 -3.272 1.00 0.17 C ATOM 510 CG GLN A 103 -1.324 10.089 -2.053 1.00 0.23 C ATOM 511 CD GLN A 103 -2.633 10.842 -1.946 1.00 0.33 C ATOM 512 OE1 GLN A 103 -3.599 10.257 -1.265 1.00 0.83 O flip ATOM 513 NE2 GLN A 103 -2.773 11.947 -2.468 1.00 0.45 N flip ATOM 0 H GLN A 103 -0.344 7.413 -1.818 1.00 0.14 H new ATOM 0 HA GLN A 103 -2.951 8.001 -2.647 1.00 0.14 H new ATOM 0 HB2 GLN A 103 -0.223 9.010 -3.532 1.00 0.17 H new ATOM 0 HB3 GLN A 103 -1.722 9.705 -4.116 1.00 0.17 H new ATOM 0 HG2 GLN A 103 -1.180 9.489 -1.155 1.00 0.23 H new ATOM 0 HG3 GLN A 103 -0.501 10.803 -2.095 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -2.002 12.367 -2.987 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -3.660 12.443 -2.382 1.00 0.45 H new ATOM 522 N HIS A 104 -1.162 6.295 -4.728 1.00 0.12 N ATOM 523 CA HIS A 104 -1.096 5.656 -6.030 1.00 0.12 C ATOM 524 C HIS A 104 -2.168 4.587 -6.122 1.00 0.12 C ATOM 525 O HIS A 104 -2.840 4.453 -7.142 1.00 0.18 O ATOM 526 CB HIS A 104 0.289 5.049 -6.270 1.00 0.14 C ATOM 527 CG HIS A 104 0.598 4.801 -7.711 1.00 0.22 C ATOM 528 ND1 HIS A 104 1.528 5.535 -8.411 1.00 1.21 N ATOM 529 CD2 HIS A 104 0.103 3.895 -8.584 1.00 0.98 C ATOM 530 CE1 HIS A 104 1.592 5.092 -9.652 1.00 0.95 C ATOM 531 NE2 HIS A 104 0.737 4.096 -9.783 1.00 0.54 N ATOM 0 H HIS A 104 -0.427 6.011 -4.080 1.00 0.12 H new ATOM 0 HA HIS A 104 -1.269 6.407 -6.801 1.00 0.12 H new ATOM 0 HB2 HIS A 104 1.045 5.717 -5.856 1.00 0.14 H new ATOM 0 HB3 HIS A 104 0.362 4.108 -5.725 1.00 0.14 H new ATOM 0 HD2 HIS A 104 -0.652 3.151 -8.376 1.00 0.98 H new ATOM 0 HE1 HIS A 104 2.235 5.479 -10.429 1.00 0.95 H new ATOM 0 HE2 HIS A 104 0.574 3.562 -10.637 1.00 0.54 H new ATOM 540 N LEU A 105 -2.341 3.843 -5.042 1.00 0.11 N ATOM 541 CA LEU A 105 -3.377 2.826 -4.984 1.00 0.12 C ATOM 542 C LEU A 105 -4.748 3.484 -4.959 1.00 0.13 C ATOM 543 O LEU A 105 -5.708 2.962 -5.519 1.00 0.18 O ATOM 544 CB LEU A 105 -3.180 1.927 -3.763 1.00 0.13 C ATOM 545 CG LEU A 105 -1.825 1.217 -3.697 1.00 0.14 C ATOM 546 CD1 LEU A 105 -1.808 0.209 -2.562 1.00 0.17 C ATOM 547 CD2 LEU A 105 -1.509 0.538 -5.022 1.00 0.18 C ATOM 0 H LEU A 105 -1.778 3.924 -4.195 1.00 0.11 H new ATOM 0 HA LEU A 105 -3.309 2.201 -5.874 1.00 0.12 H new ATOM 0 HB2 LEU A 105 -3.302 2.529 -2.863 1.00 0.13 H new ATOM 0 HB3 LEU A 105 -3.969 1.175 -3.753 1.00 0.13 H new ATOM 0 HG LEU A 105 -1.055 1.964 -3.505 1.00 0.14 H new ATOM 0 HD11 LEU A 105 -0.838 -0.286 -2.530 1.00 0.17 H new ATOM 0 HD12 LEU A 105 -1.985 0.722 -1.617 1.00 0.17 H new ATOM 0 HD13 LEU A 105 -2.589 -0.534 -2.723 1.00 0.17 H new ATOM 0 HD21 LEU A 105 -0.542 0.039 -4.954 1.00 0.18 H new ATOM 0 HD22 LEU A 105 -2.281 -0.197 -5.247 1.00 0.18 H new ATOM 0 HD23 LEU A 105 -1.477 1.285 -5.815 1.00 0.18 H new ATOM 559 N ILE A 106 -4.831 4.642 -4.319 1.00 0.11 N ATOM 560 CA ILE A 106 -6.046 5.442 -4.349 1.00 0.13 C ATOM 561 C ILE A 106 -6.370 5.857 -5.781 1.00 0.14 C ATOM 562 O ILE A 106 -7.501 5.704 -6.245 1.00 0.17 O ATOM 563 CB ILE A 106 -5.903 6.714 -3.487 1.00 0.13 C ATOM 564 CG1 ILE A 106 -5.596 6.345 -2.038 1.00 0.14 C ATOM 565 CG2 ILE A 106 -7.168 7.558 -3.567 1.00 0.16 C ATOM 566 CD1 ILE A 106 -5.338 7.547 -1.159 1.00 0.15 C ATOM 0 H ILE A 106 -4.071 5.048 -3.773 1.00 0.11 H new ATOM 0 HA ILE A 106 -6.850 4.827 -3.945 1.00 0.13 H new ATOM 0 HB ILE A 106 -5.072 7.303 -3.876 1.00 0.13 H new ATOM 0 HG12 ILE A 106 -6.432 5.777 -1.630 1.00 0.14 H new ATOM 0 HG13 ILE A 106 -4.724 5.691 -2.013 1.00 0.14 H new ATOM 0 HG21 ILE A 106 -7.049 8.451 -2.953 1.00 0.16 H new ATOM 0 HG22 ILE A 106 -7.346 7.850 -4.602 1.00 0.16 H new ATOM 0 HG23 ILE A 106 -8.016 6.978 -3.203 1.00 0.16 H new ATOM 0 HD11 ILE A 106 -5.126 7.216 -0.142 1.00 0.15 H new ATOM 0 HD12 ILE A 106 -4.484 8.103 -1.545 1.00 0.15 H new ATOM 0 HD13 ILE A 106 -6.218 8.190 -1.155 1.00 0.15 H new ATOM 578 N SER A 107 -5.360 6.358 -6.480 1.00 0.13 N ATOM 579 CA SER A 107 -5.542 6.884 -7.823 1.00 0.17 C ATOM 580 C SER A 107 -5.939 5.786 -8.818 1.00 0.18 C ATOM 581 O SER A 107 -6.560 6.069 -9.840 1.00 0.27 O ATOM 582 CB SER A 107 -4.267 7.607 -8.283 1.00 0.23 C ATOM 583 OG SER A 107 -3.179 6.710 -8.444 1.00 0.61 O ATOM 0 H SER A 107 -4.402 6.410 -6.135 1.00 0.13 H new ATOM 0 HA SER A 107 -6.363 7.600 -7.794 1.00 0.17 H new ATOM 0 HB2 SER A 107 -4.459 8.117 -9.227 1.00 0.23 H new ATOM 0 HB3 SER A 107 -4.001 8.373 -7.555 1.00 0.23 H new ATOM 0 HG SER A 107 -3.382 5.865 -7.991 1.00 0.61 H new ATOM 589 N GLU A 108 -5.594 4.534 -8.519 1.00 0.16 N ATOM 590 CA GLU A 108 -5.968 3.428 -9.395 1.00 0.17 C ATOM 591 C GLU A 108 -7.087 2.585 -8.785 1.00 0.17 C ATOM 592 O GLU A 108 -7.286 1.429 -9.169 1.00 0.21 O ATOM 593 CB GLU A 108 -4.757 2.556 -9.749 1.00 0.20 C ATOM 594 CG GLU A 108 -4.015 1.990 -8.553 1.00 0.22 C ATOM 595 CD GLU A 108 -2.991 0.951 -8.957 1.00 0.28 C ATOM 596 OE1 GLU A 108 -3.374 -0.211 -9.211 1.00 0.35 O ATOM 597 OE2 GLU A 108 -1.791 1.291 -9.013 1.00 0.42 O ATOM 0 H GLU A 108 -5.064 4.264 -7.690 1.00 0.16 H new ATOM 0 HA GLU A 108 -6.345 3.864 -10.320 1.00 0.17 H new ATOM 0 HB2 GLU A 108 -5.092 1.730 -10.376 1.00 0.20 H new ATOM 0 HB3 GLU A 108 -4.062 3.147 -10.345 1.00 0.20 H new ATOM 0 HG2 GLU A 108 -3.518 2.800 -8.019 1.00 0.22 H new ATOM 0 HG3 GLU A 108 -4.730 1.544 -7.861 1.00 0.22 H new ATOM 604 N GLU A 109 -7.812 3.182 -7.836 1.00 0.16 N ATOM 605 CA GLU A 109 -9.001 2.571 -7.236 1.00 0.19 C ATOM 606 C GLU A 109 -8.703 1.202 -6.623 1.00 0.20 C ATOM 607 O GLU A 109 -9.478 0.255 -6.764 1.00 0.30 O ATOM 608 CB GLU A 109 -10.122 2.463 -8.272 1.00 0.24 C ATOM 609 CG GLU A 109 -10.568 3.811 -8.811 1.00 0.31 C ATOM 610 CD GLU A 109 -11.670 3.690 -9.836 1.00 1.02 C ATOM 611 OE1 GLU A 109 -12.842 3.520 -9.438 1.00 0.95 O ATOM 612 OE2 GLU A 109 -11.375 3.771 -11.045 1.00 1.86 O ATOM 0 H GLU A 109 -7.591 4.104 -7.461 1.00 0.16 H new ATOM 0 HA GLU A 109 -9.325 3.221 -6.424 1.00 0.19 H new ATOM 0 HB2 GLU A 109 -9.784 1.841 -9.101 1.00 0.24 H new ATOM 0 HB3 GLU A 109 -10.977 1.958 -7.822 1.00 0.24 H new ATOM 0 HG2 GLU A 109 -10.912 4.433 -7.985 1.00 0.31 H new ATOM 0 HG3 GLU A 109 -9.714 4.320 -9.259 1.00 0.31 H new ATOM 619 N LYS A 110 -7.571 1.104 -5.954 1.00 0.15 N ATOM 620 CA LYS A 110 -7.212 -0.100 -5.225 1.00 0.17 C ATOM 621 C LYS A 110 -7.494 0.094 -3.739 1.00 0.19 C ATOM 622 O LYS A 110 -7.464 -0.859 -2.954 1.00 0.27 O ATOM 623 CB LYS A 110 -5.735 -0.429 -5.442 1.00 0.21 C ATOM 624 CG LYS A 110 -5.396 -0.886 -6.852 1.00 0.23 C ATOM 625 CD LYS A 110 -6.147 -2.147 -7.247 1.00 0.23 C ATOM 626 CE LYS A 110 -5.696 -2.657 -8.607 1.00 0.36 C ATOM 627 NZ LYS A 110 -5.696 -1.581 -9.635 1.00 1.22 N ATOM 0 H LYS A 110 -6.878 1.850 -5.899 1.00 0.15 H new ATOM 0 HA LYS A 110 -7.811 -0.931 -5.596 1.00 0.17 H new ATOM 0 HB2 LYS A 110 -5.140 0.453 -5.206 1.00 0.21 H new ATOM 0 HB3 LYS A 110 -5.442 -1.209 -4.739 1.00 0.21 H new ATOM 0 HG2 LYS A 110 -5.633 -0.089 -7.557 1.00 0.23 H new ATOM 0 HG3 LYS A 110 -4.324 -1.067 -6.925 1.00 0.23 H new ATOM 0 HD2 LYS A 110 -5.986 -2.919 -6.495 1.00 0.23 H new ATOM 0 HD3 LYS A 110 -7.218 -1.943 -7.270 1.00 0.23 H new ATOM 0 HE2 LYS A 110 -4.694 -3.077 -8.522 1.00 0.36 H new ATOM 0 HE3 LYS A 110 -6.354 -3.465 -8.928 1.00 0.36 H new ATOM 0 HZ1 LYS A 110 -5.922 -1.989 -10.565 1.00 1.22 H new ATOM 0 HZ2 LYS A 110 -6.409 -0.865 -9.388 1.00 1.22 H new ATOM 0 HZ3 LYS A 110 -4.757 -1.136 -9.672 1.00 1.22 H new ATOM 641 N ALA A 111 -7.775 1.339 -3.369 1.00 0.16 N ATOM 642 CA ALA A 111 -8.040 1.697 -1.985 1.00 0.18 C ATOM 643 C ALA A 111 -8.774 3.029 -1.904 1.00 0.19 C ATOM 644 O ALA A 111 -9.078 3.640 -2.930 1.00 0.29 O ATOM 645 CB ALA A 111 -6.743 1.766 -1.201 1.00 0.20 C ATOM 0 H ALA A 111 -7.825 2.124 -4.019 1.00 0.16 H new ATOM 0 HA ALA A 111 -8.675 0.926 -1.548 1.00 0.18 H new ATOM 0 HB1 ALA A 111 -6.957 2.035 -0.167 1.00 0.20 H new ATOM 0 HB2 ALA A 111 -6.249 0.795 -1.229 1.00 0.20 H new ATOM 0 HB3 ALA A 111 -6.090 2.518 -1.644 1.00 0.20 H new ATOM 651 N SER A 112 -9.038 3.480 -0.686 1.00 0.21 N ATOM 652 CA SER A 112 -9.783 4.710 -0.471 1.00 0.23 C ATOM 653 C SER A 112 -8.866 5.859 -0.059 1.00 0.21 C ATOM 654 O SER A 112 -8.804 6.885 -0.737 1.00 0.26 O ATOM 655 CB SER A 112 -10.852 4.476 0.590 1.00 0.29 C ATOM 656 OG SER A 112 -11.698 3.405 0.211 1.00 1.23 O ATOM 0 H SER A 112 -8.746 3.010 0.171 1.00 0.21 H new ATOM 0 HA SER A 112 -10.256 4.994 -1.411 1.00 0.23 H new ATOM 0 HB2 SER A 112 -10.381 4.254 1.547 1.00 0.29 H new ATOM 0 HB3 SER A 112 -11.442 5.382 0.727 1.00 0.29 H new ATOM 0 HG SER A 112 -12.378 3.265 0.902 1.00 1.23 H new ATOM 662 N HIS A 113 -8.161 5.692 1.055 1.00 0.16 N ATOM 663 CA HIS A 113 -7.250 6.721 1.542 1.00 0.16 C ATOM 664 C HIS A 113 -5.907 6.108 1.928 1.00 0.14 C ATOM 665 O HIS A 113 -5.766 4.886 1.916 1.00 0.15 O ATOM 666 CB HIS A 113 -7.852 7.484 2.723 1.00 0.21 C ATOM 667 CG HIS A 113 -8.899 8.485 2.332 1.00 0.44 C ATOM 668 ND1 HIS A 113 -8.634 9.829 2.193 1.00 1.47 N ATOM 669 CD2 HIS A 113 -10.216 8.335 2.056 1.00 0.75 C ATOM 670 CE1 HIS A 113 -9.739 10.461 1.850 1.00 1.47 C ATOM 671 NE2 HIS A 113 -10.716 9.578 1.760 1.00 0.73 N ATOM 0 H HIS A 113 -8.203 4.855 1.637 1.00 0.16 H new ATOM 0 HA HIS A 113 -7.088 7.433 0.733 1.00 0.16 H new ATOM 0 HB2 HIS A 113 -8.290 6.769 3.419 1.00 0.21 H new ATOM 0 HB3 HIS A 113 -7.052 7.999 3.255 1.00 0.21 H new ATOM 0 HD2 HIS A 113 -10.770 7.408 2.067 1.00 0.75 H new ATOM 0 HE1 HIS A 113 -9.830 11.522 1.673 1.00 1.47 H new ATOM 0 HE2 HIS A 113 -11.683 9.785 1.511 1.00 0.73 H new ATOM 680 N ILE A 114 -4.929 6.943 2.270 1.00 0.15 N ATOM 681 CA ILE A 114 -3.560 6.469 2.463 1.00 0.17 C ATOM 682 C ILE A 114 -3.437 5.511 3.661 1.00 0.16 C ATOM 683 O ILE A 114 -2.894 4.417 3.532 1.00 0.26 O ATOM 684 CB ILE A 114 -2.546 7.637 2.612 1.00 0.18 C ATOM 685 CG1 ILE A 114 -2.879 8.534 3.810 1.00 0.18 C ATOM 686 CG2 ILE A 114 -2.500 8.457 1.332 1.00 0.22 C ATOM 687 CD1 ILE A 114 -1.927 9.700 3.982 1.00 0.23 C ATOM 0 H ILE A 114 -5.057 7.944 2.418 1.00 0.15 H new ATOM 0 HA ILE A 114 -3.311 5.916 1.557 1.00 0.17 H new ATOM 0 HB ILE A 114 -1.564 7.201 2.795 1.00 0.18 H new ATOM 0 HG12 ILE A 114 -3.892 8.918 3.694 1.00 0.18 H new ATOM 0 HG13 ILE A 114 -2.868 7.931 4.718 1.00 0.18 H new ATOM 0 HG21 ILE A 114 -1.786 9.273 1.448 1.00 0.22 H new ATOM 0 HG22 ILE A 114 -2.192 7.820 0.503 1.00 0.22 H new ATOM 0 HG23 ILE A 114 -3.489 8.867 1.127 1.00 0.22 H new ATOM 0 HD11 ILE A 114 -2.226 10.289 4.849 1.00 0.23 H new ATOM 0 HD12 ILE A 114 -0.915 9.324 4.130 1.00 0.23 H new ATOM 0 HD13 ILE A 114 -1.955 10.327 3.091 1.00 0.23 H new ATOM 699 N SER A 115 -3.953 5.910 4.818 1.00 0.14 N ATOM 700 CA SER A 115 -3.833 5.108 6.033 1.00 0.20 C ATOM 701 C SER A 115 -4.700 3.845 5.960 1.00 0.18 C ATOM 702 O SER A 115 -4.525 2.915 6.752 1.00 0.27 O ATOM 703 CB SER A 115 -4.198 5.950 7.262 1.00 0.29 C ATOM 704 OG SER A 115 -3.893 5.265 8.466 1.00 1.50 O ATOM 0 H SER A 115 -4.460 6.786 4.942 1.00 0.14 H new ATOM 0 HA SER A 115 -2.796 4.786 6.125 1.00 0.20 H new ATOM 0 HB2 SER A 115 -3.656 6.895 7.232 1.00 0.29 H new ATOM 0 HB3 SER A 115 -5.261 6.191 7.238 1.00 0.29 H new ATOM 0 HG SER A 115 -4.007 4.301 8.332 1.00 1.50 H new ATOM 710 N GLU A 116 -5.614 3.804 4.991 1.00 0.14 N ATOM 711 CA GLU A 116 -6.421 2.608 4.740 1.00 0.13 C ATOM 712 C GLU A 116 -5.555 1.540 4.077 1.00 0.11 C ATOM 713 O GLU A 116 -5.991 0.405 3.847 1.00 0.15 O ATOM 714 CB GLU A 116 -7.607 2.946 3.833 1.00 0.20 C ATOM 715 CG GLU A 116 -8.460 4.096 4.340 1.00 0.36 C ATOM 716 CD GLU A 116 -9.105 3.801 5.676 1.00 0.47 C ATOM 717 OE1 GLU A 116 -10.225 3.252 5.687 1.00 0.53 O ATOM 718 OE2 GLU A 116 -8.499 4.125 6.719 1.00 0.80 O ATOM 0 H GLU A 116 -5.815 4.585 4.366 1.00 0.14 H new ATOM 0 HA GLU A 116 -6.803 2.233 5.690 1.00 0.13 H new ATOM 0 HB2 GLU A 116 -7.233 3.194 2.840 1.00 0.20 H new ATOM 0 HB3 GLU A 116 -8.234 2.061 3.726 1.00 0.20 H new ATOM 0 HG2 GLU A 116 -7.842 4.989 4.429 1.00 0.36 H new ATOM 0 HG3 GLU A 116 -9.236 4.317 3.608 1.00 0.36 H new ATOM 725 N ILE A 117 -4.332 1.947 3.761 1.00 0.11 N ATOM 726 CA ILE A 117 -3.336 1.095 3.143 1.00 0.12 C ATOM 727 C ILE A 117 -2.158 0.920 4.093 1.00 0.16 C ATOM 728 O ILE A 117 -1.328 1.819 4.233 1.00 0.26 O ATOM 729 CB ILE A 117 -2.821 1.734 1.837 1.00 0.12 C ATOM 730 CG1 ILE A 117 -3.990 2.145 0.946 1.00 0.12 C ATOM 731 CG2 ILE A 117 -1.899 0.781 1.094 1.00 0.16 C ATOM 732 CD1 ILE A 117 -3.575 2.980 -0.242 1.00 0.14 C ATOM 0 H ILE A 117 -4.003 2.897 3.932 1.00 0.11 H new ATOM 0 HA ILE A 117 -3.792 0.130 2.922 1.00 0.12 H new ATOM 0 HB ILE A 117 -2.251 2.626 2.098 1.00 0.12 H new ATOM 0 HG12 ILE A 117 -4.499 1.249 0.591 1.00 0.12 H new ATOM 0 HG13 ILE A 117 -4.711 2.706 1.541 1.00 0.12 H new ATOM 0 HG21 ILE A 117 -1.549 1.254 0.177 1.00 0.16 H new ATOM 0 HG22 ILE A 117 -1.044 0.536 1.725 1.00 0.16 H new ATOM 0 HG23 ILE A 117 -2.441 -0.132 0.847 1.00 0.16 H new ATOM 0 HD11 ILE A 117 -4.455 3.237 -0.832 1.00 0.14 H new ATOM 0 HD12 ILE A 117 -3.093 3.893 0.106 1.00 0.14 H new ATOM 0 HD13 ILE A 117 -2.877 2.414 -0.859 1.00 0.14 H new ATOM 744 N LYS A 118 -2.083 -0.215 4.760 1.00 0.20 N ATOM 745 CA LYS A 118 -0.996 -0.460 5.693 1.00 0.26 C ATOM 746 C LYS A 118 0.068 -1.312 5.016 1.00 0.17 C ATOM 747 O LYS A 118 -0.165 -2.474 4.715 1.00 0.19 O ATOM 748 CB LYS A 118 -1.533 -1.183 6.935 1.00 0.41 C ATOM 749 CG LYS A 118 -0.893 -0.774 8.260 1.00 0.53 C ATOM 750 CD LYS A 118 0.591 -1.106 8.332 1.00 0.35 C ATOM 751 CE LYS A 118 1.455 0.096 7.991 1.00 0.71 C ATOM 752 NZ LYS A 118 1.190 1.250 8.894 1.00 1.01 N ATOM 0 H LYS A 118 -2.755 -0.978 4.676 1.00 0.20 H new ATOM 0 HA LYS A 118 -0.557 0.490 5.998 1.00 0.26 H new ATOM 0 HB2 LYS A 118 -2.607 -1.008 7.000 1.00 0.41 H new ATOM 0 HB3 LYS A 118 -1.393 -2.255 6.799 1.00 0.41 H new ATOM 0 HG2 LYS A 118 -1.027 0.298 8.406 1.00 0.53 H new ATOM 0 HG3 LYS A 118 -1.412 -1.275 9.077 1.00 0.53 H new ATOM 0 HD2 LYS A 118 0.837 -1.458 9.334 1.00 0.35 H new ATOM 0 HD3 LYS A 118 0.815 -1.921 7.644 1.00 0.35 H new ATOM 0 HE2 LYS A 118 2.507 -0.183 8.059 1.00 0.71 H new ATOM 0 HE3 LYS A 118 1.270 0.394 6.959 1.00 0.71 H new ATOM 0 HZ1 LYS A 118 2.011 1.889 8.891 1.00 1.01 H new ATOM 0 HZ2 LYS A 118 0.350 1.765 8.562 1.00 1.01 H new ATOM 0 HZ3 LYS A 118 1.024 0.904 9.860 1.00 1.01 H new ATOM 766 N LEU A 119 1.237 -0.744 4.787 1.00 0.20 N ATOM 767 CA LEU A 119 2.314 -1.482 4.162 1.00 0.19 C ATOM 768 C LEU A 119 3.264 -2.019 5.221 1.00 0.17 C ATOM 769 O LEU A 119 3.710 -1.275 6.096 1.00 0.19 O ATOM 770 CB LEU A 119 3.082 -0.617 3.158 1.00 0.27 C ATOM 771 CG LEU A 119 2.324 -0.272 1.881 1.00 0.26 C ATOM 772 CD1 LEU A 119 1.323 0.812 2.152 1.00 0.69 C ATOM 773 CD2 LEU A 119 3.281 0.134 0.772 1.00 0.73 C ATOM 0 H LEU A 119 1.463 0.222 5.024 1.00 0.20 H new ATOM 0 HA LEU A 119 1.873 -2.316 3.616 1.00 0.19 H new ATOM 0 HB2 LEU A 119 3.372 0.311 3.650 1.00 0.27 H new ATOM 0 HB3 LEU A 119 4.002 -1.135 2.886 1.00 0.27 H new ATOM 0 HG LEU A 119 1.789 -1.160 1.545 1.00 0.26 H new ATOM 0 HD11 LEU A 119 0.787 1.051 1.233 1.00 0.69 H new ATOM 0 HD12 LEU A 119 0.614 0.472 2.907 1.00 0.69 H new ATOM 0 HD13 LEU A 119 1.839 1.702 2.513 1.00 0.69 H new ATOM 0 HD21 LEU A 119 2.714 0.375 -0.127 1.00 0.73 H new ATOM 0 HD22 LEU A 119 3.852 1.008 1.086 1.00 0.73 H new ATOM 0 HD23 LEU A 119 3.964 -0.689 0.561 1.00 0.73 H new ATOM 785 N LEU A 120 3.538 -3.312 5.170 1.00 0.16 N ATOM 786 CA LEU A 120 4.489 -3.922 6.085 1.00 0.15 C ATOM 787 C LEU A 120 5.575 -4.641 5.302 1.00 0.18 C ATOM 788 O LEU A 120 5.286 -5.375 4.356 1.00 0.23 O ATOM 789 CB LEU A 120 3.804 -4.910 7.045 1.00 0.17 C ATOM 790 CG LEU A 120 2.687 -4.333 7.927 1.00 0.18 C ATOM 791 CD1 LEU A 120 1.362 -4.310 7.184 1.00 0.21 C ATOM 792 CD2 LEU A 120 2.555 -5.131 9.213 1.00 0.22 C ATOM 0 H LEU A 120 3.116 -3.960 4.505 1.00 0.16 H new ATOM 0 HA LEU A 120 4.930 -3.124 6.682 1.00 0.15 H new ATOM 0 HB2 LEU A 120 3.388 -5.727 6.456 1.00 0.17 H new ATOM 0 HB3 LEU A 120 4.566 -5.341 7.695 1.00 0.17 H new ATOM 0 HG LEU A 120 2.955 -3.307 8.178 1.00 0.18 H new ATOM 0 HD11 LEU A 120 0.589 -3.897 7.832 1.00 0.21 H new ATOM 0 HD12 LEU A 120 1.456 -3.692 6.291 1.00 0.21 H new ATOM 0 HD13 LEU A 120 1.089 -5.325 6.895 1.00 0.21 H new ATOM 0 HD21 LEU A 120 1.759 -4.707 9.824 1.00 0.22 H new ATOM 0 HD22 LEU A 120 2.317 -6.168 8.975 1.00 0.22 H new ATOM 0 HD23 LEU A 120 3.495 -5.092 9.764 1.00 0.22 H new ATOM 804 N LEU A 121 6.818 -4.441 5.706 1.00 0.19 N ATOM 805 CA LEU A 121 7.947 -5.074 5.041 1.00 0.25 C ATOM 806 C LEU A 121 8.591 -6.062 6.002 1.00 0.33 C ATOM 807 O LEU A 121 9.330 -5.667 6.905 1.00 0.37 O ATOM 808 CB LEU A 121 8.970 -4.010 4.605 1.00 0.29 C ATOM 809 CG LEU A 121 9.929 -4.405 3.466 1.00 0.53 C ATOM 810 CD1 LEU A 121 10.848 -3.244 3.125 1.00 1.36 C ATOM 811 CD2 LEU A 121 10.756 -5.632 3.821 1.00 1.18 C ATOM 0 H LEU A 121 7.072 -3.844 6.493 1.00 0.19 H new ATOM 0 HA LEU A 121 7.602 -5.601 4.151 1.00 0.25 H new ATOM 0 HB2 LEU A 121 8.424 -3.118 4.298 1.00 0.29 H new ATOM 0 HB3 LEU A 121 9.567 -3.735 5.474 1.00 0.29 H new ATOM 0 HG LEU A 121 9.319 -4.654 2.598 1.00 0.53 H new ATOM 0 HD11 LEU A 121 11.520 -3.537 2.319 1.00 1.36 H new ATOM 0 HD12 LEU A 121 10.251 -2.389 2.807 1.00 1.36 H new ATOM 0 HD13 LEU A 121 11.432 -2.972 4.004 1.00 1.36 H new ATOM 0 HD21 LEU A 121 11.419 -5.877 2.991 1.00 1.18 H new ATOM 0 HD22 LEU A 121 11.350 -5.425 4.711 1.00 1.18 H new ATOM 0 HD23 LEU A 121 10.092 -6.474 4.016 1.00 1.18 H new ATOM 823 N LYS A 122 8.291 -7.344 5.808 1.00 0.43 N ATOM 824 CA LYS A 122 8.805 -8.404 6.675 1.00 0.54 C ATOM 825 C LYS A 122 8.310 -8.183 8.108 1.00 0.44 C ATOM 826 O LYS A 122 9.019 -8.431 9.083 1.00 0.52 O ATOM 827 CB LYS A 122 10.341 -8.445 6.615 1.00 0.71 C ATOM 828 CG LYS A 122 10.964 -9.659 7.288 1.00 1.20 C ATOM 829 CD LYS A 122 12.480 -9.599 7.241 1.00 1.39 C ATOM 830 CE LYS A 122 13.115 -10.754 7.999 1.00 2.05 C ATOM 831 NZ LYS A 122 12.773 -12.071 7.401 1.00 2.47 N ATOM 0 H LYS A 122 7.691 -7.676 5.053 1.00 0.43 H new ATOM 0 HA LYS A 122 8.434 -9.368 6.328 1.00 0.54 H new ATOM 0 HB2 LYS A 122 10.652 -8.424 5.571 1.00 0.71 H new ATOM 0 HB3 LYS A 122 10.735 -7.543 7.083 1.00 0.71 H new ATOM 0 HG2 LYS A 122 10.632 -9.713 8.325 1.00 1.20 H new ATOM 0 HG3 LYS A 122 10.619 -10.568 6.795 1.00 1.20 H new ATOM 0 HD2 LYS A 122 12.812 -9.619 6.203 1.00 1.39 H new ATOM 0 HD3 LYS A 122 12.820 -8.655 7.666 1.00 1.39 H new ATOM 0 HE2 LYS A 122 14.198 -10.630 8.007 1.00 2.05 H new ATOM 0 HE3 LYS A 122 12.784 -10.731 9.037 1.00 2.05 H new ATOM 0 HZ1 LYS A 122 13.319 -12.819 7.874 1.00 2.47 H new ATOM 0 HZ2 LYS A 122 11.757 -12.254 7.523 1.00 2.47 H new ATOM 0 HZ3 LYS A 122 13.004 -12.062 6.387 1.00 2.47 H new ATOM 845 N GLY A 123 7.081 -7.694 8.221 1.00 0.36 N ATOM 846 CA GLY A 123 6.500 -7.420 9.523 1.00 0.39 C ATOM 847 C GLY A 123 6.749 -5.996 9.991 1.00 0.35 C ATOM 848 O GLY A 123 6.149 -5.544 10.970 1.00 0.47 O ATOM 0 H GLY A 123 6.473 -7.481 7.430 1.00 0.36 H new ATOM 0 HA2 GLY A 123 5.426 -7.602 9.482 1.00 0.39 H new ATOM 0 HA3 GLY A 123 6.913 -8.115 10.254 1.00 0.39 H new ATOM 852 N LYS A 124 7.638 -5.291 9.299 1.00 0.26 N ATOM 853 CA LYS A 124 7.971 -3.916 9.652 1.00 0.29 C ATOM 854 C LYS A 124 6.848 -2.966 9.252 1.00 0.23 C ATOM 855 O LYS A 124 6.498 -2.868 8.077 1.00 0.21 O ATOM 856 CB LYS A 124 9.282 -3.494 8.976 1.00 0.37 C ATOM 857 CG LYS A 124 9.649 -2.028 9.181 1.00 0.46 C ATOM 858 CD LYS A 124 9.885 -1.699 10.648 1.00 0.53 C ATOM 859 CE LYS A 124 11.123 -2.395 11.193 1.00 1.36 C ATOM 860 NZ LYS A 124 12.364 -1.954 10.502 1.00 1.94 N ATOM 0 H LYS A 124 8.142 -5.651 8.488 1.00 0.26 H new ATOM 0 HA LYS A 124 8.098 -3.865 10.733 1.00 0.29 H new ATOM 0 HB2 LYS A 124 10.091 -4.116 9.358 1.00 0.37 H new ATOM 0 HB3 LYS A 124 9.206 -3.692 7.907 1.00 0.37 H new ATOM 0 HG2 LYS A 124 10.547 -1.796 8.608 1.00 0.46 H new ATOM 0 HG3 LYS A 124 8.850 -1.397 8.792 1.00 0.46 H new ATOM 0 HD2 LYS A 124 9.993 -0.621 10.765 1.00 0.53 H new ATOM 0 HD3 LYS A 124 9.014 -1.997 11.232 1.00 0.53 H new ATOM 0 HE2 LYS A 124 11.212 -2.192 12.260 1.00 1.36 H new ATOM 0 HE3 LYS A 124 11.010 -3.473 11.082 1.00 1.36 H new ATOM 0 HZ1 LYS A 124 13.194 -2.262 11.048 1.00 1.94 H new ATOM 0 HZ2 LYS A 124 12.400 -2.374 9.551 1.00 1.94 H new ATOM 0 HZ3 LYS A 124 12.368 -0.917 10.423 1.00 1.94 H new ATOM 874 N VAL A 125 6.287 -2.280 10.238 1.00 0.24 N ATOM 875 CA VAL A 125 5.241 -1.301 9.995 1.00 0.21 C ATOM 876 C VAL A 125 5.812 -0.064 9.307 1.00 0.22 C ATOM 877 O VAL A 125 6.607 0.672 9.892 1.00 0.30 O ATOM 878 CB VAL A 125 4.547 -0.882 11.310 1.00 0.24 C ATOM 879 CG1 VAL A 125 3.536 0.231 11.067 1.00 0.26 C ATOM 880 CG2 VAL A 125 3.873 -2.079 11.960 1.00 0.27 C ATOM 0 H VAL A 125 6.542 -2.386 11.220 1.00 0.24 H new ATOM 0 HA VAL A 125 4.502 -1.769 9.344 1.00 0.21 H new ATOM 0 HB VAL A 125 5.311 -0.501 11.987 1.00 0.24 H new ATOM 0 HG11 VAL A 125 3.063 0.505 12.010 1.00 0.26 H new ATOM 0 HG12 VAL A 125 4.045 1.100 10.650 1.00 0.26 H new ATOM 0 HG13 VAL A 125 2.775 -0.115 10.367 1.00 0.26 H new ATOM 0 HG21 VAL A 125 3.389 -1.766 12.885 1.00 0.27 H new ATOM 0 HG22 VAL A 125 3.126 -2.489 11.280 1.00 0.27 H new ATOM 0 HG23 VAL A 125 4.620 -2.841 12.181 1.00 0.27 H new ATOM 890 N LEU A 126 5.417 0.144 8.060 1.00 0.20 N ATOM 891 CA LEU A 126 5.837 1.319 7.313 1.00 0.22 C ATOM 892 C LEU A 126 4.851 2.454 7.558 1.00 0.24 C ATOM 893 O LEU A 126 3.635 2.252 7.497 1.00 0.31 O ATOM 894 CB LEU A 126 5.915 1.000 5.817 1.00 0.22 C ATOM 895 CG LEU A 126 6.740 -0.241 5.455 1.00 0.22 C ATOM 896 CD1 LEU A 126 6.802 -0.421 3.948 1.00 0.30 C ATOM 897 CD2 LEU A 126 8.140 -0.143 6.039 1.00 0.23 C ATOM 0 H LEU A 126 4.805 -0.487 7.543 1.00 0.20 H new ATOM 0 HA LEU A 126 6.828 1.622 7.651 1.00 0.22 H new ATOM 0 HB2 LEU A 126 4.902 0.866 5.437 1.00 0.22 H new ATOM 0 HB3 LEU A 126 6.338 1.861 5.300 1.00 0.22 H new ATOM 0 HG LEU A 126 6.250 -1.114 5.885 1.00 0.22 H new ATOM 0 HD11 LEU A 126 7.392 -1.307 3.711 1.00 0.30 H new ATOM 0 HD12 LEU A 126 5.793 -0.541 3.554 1.00 0.30 H new ATOM 0 HD13 LEU A 126 7.266 0.455 3.496 1.00 0.30 H new ATOM 0 HD21 LEU A 126 8.709 -1.033 5.771 1.00 0.23 H new ATOM 0 HD22 LEU A 126 8.639 0.741 5.641 1.00 0.23 H new ATOM 0 HD23 LEU A 126 8.077 -0.066 7.124 1.00 0.23 H new ATOM 909 N HIS A 127 5.367 3.637 7.859 1.00 0.24 N ATOM 910 CA HIS A 127 4.511 4.778 8.164 1.00 0.25 C ATOM 911 C HIS A 127 3.917 5.377 6.896 1.00 0.22 C ATOM 912 O HIS A 127 4.420 5.126 5.799 1.00 0.28 O ATOM 913 CB HIS A 127 5.273 5.862 8.932 1.00 0.28 C ATOM 914 CG HIS A 127 5.812 5.414 10.256 1.00 0.74 C ATOM 915 ND1 HIS A 127 6.892 6.012 10.867 1.00 1.35 N ATOM 916 CD2 HIS A 127 5.412 4.423 11.090 1.00 1.31 C ATOM 917 CE1 HIS A 127 7.134 5.409 12.017 1.00 1.67 C ATOM 918 NE2 HIS A 127 6.250 4.442 12.176 1.00 1.62 N ATOM 0 H HIS A 127 6.367 3.833 7.899 1.00 0.24 H new ATOM 0 HA HIS A 127 3.702 4.407 8.793 1.00 0.25 H new ATOM 0 HB2 HIS A 127 6.100 6.214 8.316 1.00 0.28 H new ATOM 0 HB3 HIS A 127 4.610 6.712 9.091 1.00 0.28 H new ATOM 0 HD2 HIS A 127 4.587 3.745 10.929 1.00 1.31 H new ATOM 0 HE1 HIS A 127 7.922 5.664 12.710 1.00 1.67 H new ATOM 0 HE2 HIS A 127 6.198 3.811 12.976 1.00 1.62 H new ATOM 927 N ASP A 128 2.858 6.164 7.051 1.00 0.24 N ATOM 928 CA ASP A 128 2.165 6.771 5.915 1.00 0.25 C ATOM 929 C ASP A 128 3.135 7.501 4.980 1.00 0.20 C ATOM 930 O ASP A 128 3.068 7.332 3.768 1.00 0.22 O ATOM 931 CB ASP A 128 1.058 7.726 6.392 1.00 0.32 C ATOM 932 CG ASP A 128 1.546 8.781 7.366 1.00 0.35 C ATOM 933 OD1 ASP A 128 1.637 8.489 8.574 1.00 0.45 O ATOM 934 OD2 ASP A 128 1.858 9.908 6.920 1.00 0.42 O ATOM 0 H ASP A 128 2.457 6.399 7.959 1.00 0.24 H new ATOM 0 HA ASP A 128 1.705 5.961 5.349 1.00 0.25 H new ATOM 0 HB2 ASP A 128 0.617 8.219 5.526 1.00 0.32 H new ATOM 0 HB3 ASP A 128 0.267 7.145 6.865 1.00 0.32 H new ATOM 939 N ASN A 129 4.055 8.275 5.545 1.00 0.19 N ATOM 940 CA ASN A 129 4.944 9.116 4.741 1.00 0.19 C ATOM 941 C ASN A 129 6.418 8.701 4.837 1.00 0.17 C ATOM 942 O ASN A 129 7.313 9.541 4.698 1.00 0.22 O ATOM 943 CB ASN A 129 4.787 10.589 5.140 1.00 0.28 C ATOM 944 CG ASN A 129 4.976 10.831 6.632 1.00 1.11 C ATOM 945 OD1 ASN A 129 5.695 10.101 7.318 1.00 1.91 O ATOM 946 ND2 ASN A 129 4.326 11.862 7.148 1.00 1.48 N ATOM 0 H ASN A 129 4.207 8.340 6.552 1.00 0.19 H new ATOM 0 HA ASN A 129 4.645 8.979 3.702 1.00 0.19 H new ATOM 0 HB2 ASN A 129 5.511 11.187 4.587 1.00 0.28 H new ATOM 0 HB3 ASN A 129 3.796 10.935 4.845 1.00 0.28 H new ATOM 0 HD21 ASN A 129 4.412 12.073 8.142 1.00 1.48 H new ATOM 0 HD22 ASN A 129 3.739 12.445 6.551 1.00 1.48 H new ATOM 953 N LEU A 130 6.677 7.422 5.076 1.00 0.15 N ATOM 954 CA LEU A 130 8.054 6.937 5.197 1.00 0.19 C ATOM 955 C LEU A 130 8.746 6.946 3.827 1.00 0.15 C ATOM 956 O LEU A 130 8.169 6.511 2.830 1.00 0.14 O ATOM 957 CB LEU A 130 8.071 5.524 5.799 1.00 0.25 C ATOM 958 CG LEU A 130 9.207 5.228 6.797 1.00 0.33 C ATOM 959 CD1 LEU A 130 10.573 5.432 6.166 1.00 0.33 C ATOM 960 CD2 LEU A 130 9.076 6.090 8.043 1.00 0.39 C ATOM 0 H LEU A 130 5.962 6.704 5.190 1.00 0.15 H new ATOM 0 HA LEU A 130 8.601 7.604 5.864 1.00 0.19 H new ATOM 0 HB2 LEU A 130 7.119 5.353 6.302 1.00 0.25 H new ATOM 0 HB3 LEU A 130 8.134 4.804 4.983 1.00 0.25 H new ATOM 0 HG LEU A 130 9.118 4.180 7.083 1.00 0.33 H new ATOM 0 HD11 LEU A 130 11.349 5.214 6.900 1.00 0.33 H new ATOM 0 HD12 LEU A 130 10.683 4.764 5.312 1.00 0.33 H new ATOM 0 HD13 LEU A 130 10.669 6.465 5.833 1.00 0.33 H new ATOM 0 HD21 LEU A 130 9.890 5.861 8.731 1.00 0.39 H new ATOM 0 HD22 LEU A 130 9.122 7.143 7.764 1.00 0.39 H new ATOM 0 HD23 LEU A 130 8.122 5.885 8.529 1.00 0.39 H new ATOM 972 N PHE A 131 9.968 7.471 3.785 1.00 0.19 N ATOM 973 CA PHE A 131 10.770 7.488 2.561 1.00 0.19 C ATOM 974 C PHE A 131 11.365 6.111 2.291 1.00 0.19 C ATOM 975 O PHE A 131 11.818 5.430 3.210 1.00 0.21 O ATOM 976 CB PHE A 131 11.907 8.510 2.673 1.00 0.22 C ATOM 977 CG PHE A 131 11.474 9.941 2.534 1.00 0.28 C ATOM 978 CD1 PHE A 131 10.926 10.627 3.605 1.00 0.38 C ATOM 979 CD2 PHE A 131 11.629 10.604 1.328 1.00 0.35 C ATOM 980 CE1 PHE A 131 10.539 11.947 3.475 1.00 0.47 C ATOM 981 CE2 PHE A 131 11.243 11.922 1.191 1.00 0.44 C ATOM 982 CZ PHE A 131 10.697 12.595 2.266 1.00 0.47 C ATOM 0 H PHE A 131 10.429 7.894 4.591 1.00 0.19 H new ATOM 0 HA PHE A 131 10.113 7.767 1.737 1.00 0.19 H new ATOM 0 HB2 PHE A 131 12.398 8.384 3.638 1.00 0.22 H new ATOM 0 HB3 PHE A 131 12.651 8.293 1.906 1.00 0.22 H new ATOM 0 HD1 PHE A 131 10.800 10.124 4.553 1.00 0.38 H new ATOM 0 HD2 PHE A 131 12.057 10.083 0.484 1.00 0.35 H new ATOM 0 HE1 PHE A 131 10.113 12.471 4.318 1.00 0.47 H new ATOM 0 HE2 PHE A 131 11.368 12.426 0.244 1.00 0.44 H new ATOM 0 HZ PHE A 131 10.394 13.626 2.161 1.00 0.47 H new ATOM 992 N LEU A 132 11.392 5.721 1.020 1.00 0.19 N ATOM 993 CA LEU A 132 11.904 4.415 0.626 1.00 0.21 C ATOM 994 C LEU A 132 13.411 4.331 0.826 1.00 0.23 C ATOM 995 O LEU A 132 13.980 3.242 0.818 1.00 0.26 O ATOM 996 CB LEU A 132 11.548 4.096 -0.832 1.00 0.23 C ATOM 997 CG LEU A 132 10.183 3.429 -1.051 1.00 0.21 C ATOM 998 CD1 LEU A 132 9.049 4.325 -0.581 1.00 0.16 C ATOM 999 CD2 LEU A 132 9.999 3.069 -2.516 1.00 0.28 C ATOM 0 H LEU A 132 11.063 6.295 0.243 1.00 0.19 H new ATOM 0 HA LEU A 132 11.428 3.674 1.268 1.00 0.21 H new ATOM 0 HB2 LEU A 132 11.575 5.023 -1.405 1.00 0.23 H new ATOM 0 HB3 LEU A 132 12.320 3.445 -1.242 1.00 0.23 H new ATOM 0 HG LEU A 132 10.157 2.516 -0.457 1.00 0.21 H new ATOM 0 HD11 LEU A 132 8.096 3.824 -0.750 1.00 0.16 H new ATOM 0 HD12 LEU A 132 9.166 4.533 0.483 1.00 0.16 H new ATOM 0 HD13 LEU A 132 9.070 5.262 -1.138 1.00 0.16 H new ATOM 0 HD21 LEU A 132 9.026 2.597 -2.655 1.00 0.28 H new ATOM 0 HD22 LEU A 132 10.054 3.973 -3.122 1.00 0.28 H new ATOM 0 HD23 LEU A 132 10.785 2.378 -2.822 1.00 0.28 H new ATOM 1011 N SER A 133 14.054 5.479 1.005 1.00 0.24 N ATOM 1012 CA SER A 133 15.490 5.520 1.244 1.00 0.28 C ATOM 1013 C SER A 133 15.800 4.952 2.624 1.00 0.32 C ATOM 1014 O SER A 133 16.845 4.340 2.841 1.00 0.39 O ATOM 1015 CB SER A 133 16.013 6.957 1.121 1.00 0.33 C ATOM 1016 OG SER A 133 17.431 6.999 1.151 1.00 1.25 O ATOM 0 H SER A 133 13.603 6.394 0.989 1.00 0.24 H new ATOM 0 HA SER A 133 15.992 4.911 0.492 1.00 0.28 H new ATOM 0 HB2 SER A 133 15.655 7.397 0.191 1.00 0.33 H new ATOM 0 HB3 SER A 133 15.613 7.562 1.935 1.00 0.33 H new ATOM 0 HG SER A 133 17.733 7.928 1.069 1.00 1.25 H new ATOM 1022 N ASP A 134 14.863 5.136 3.548 1.00 0.32 N ATOM 1023 CA ASP A 134 15.007 4.616 4.901 1.00 0.38 C ATOM 1024 C ASP A 134 14.594 3.155 4.940 1.00 0.39 C ATOM 1025 O ASP A 134 14.925 2.422 5.873 1.00 0.49 O ATOM 1026 CB ASP A 134 14.149 5.413 5.885 1.00 0.40 C ATOM 1027 CG ASP A 134 14.538 6.873 5.958 1.00 1.12 C ATOM 1028 OD1 ASP A 134 15.517 7.196 6.661 1.00 1.33 O ATOM 1029 OD2 ASP A 134 13.865 7.707 5.318 1.00 1.93 O ATOM 0 H ASP A 134 13.994 5.643 3.383 1.00 0.32 H new ATOM 0 HA ASP A 134 16.053 4.710 5.193 1.00 0.38 H new ATOM 0 HB2 ASP A 134 13.102 5.336 5.592 1.00 0.40 H new ATOM 0 HB3 ASP A 134 14.236 4.969 6.877 1.00 0.40 H new ATOM 1034 N LEU A 135 13.862 2.742 3.919 1.00 0.34 N ATOM 1035 CA LEU A 135 13.331 1.393 3.851 1.00 0.36 C ATOM 1036 C LEU A 135 14.281 0.475 3.098 1.00 0.39 C ATOM 1037 O LEU A 135 14.722 -0.539 3.637 1.00 0.42 O ATOM 1038 CB LEU A 135 11.974 1.397 3.152 1.00 0.34 C ATOM 1039 CG LEU A 135 10.961 2.396 3.701 1.00 0.30 C ATOM 1040 CD1 LEU A 135 9.657 2.284 2.940 1.00 0.32 C ATOM 1041 CD2 LEU A 135 10.735 2.180 5.188 1.00 0.34 C ATOM 0 H LEU A 135 13.621 3.328 3.120 1.00 0.34 H new ATOM 0 HA LEU A 135 13.217 1.024 4.870 1.00 0.36 H new ATOM 0 HB2 LEU A 135 12.130 1.607 2.094 1.00 0.34 H new ATOM 0 HB3 LEU A 135 11.546 0.397 3.219 1.00 0.34 H new ATOM 0 HG LEU A 135 11.360 3.401 3.567 1.00 0.30 H new ATOM 0 HD11 LEU A 135 8.940 3.001 3.339 1.00 0.32 H new ATOM 0 HD12 LEU A 135 9.832 2.495 1.885 1.00 0.32 H new ATOM 0 HD13 LEU A 135 9.259 1.275 3.047 1.00 0.32 H new ATOM 0 HD21 LEU A 135 10.009 2.905 5.555 1.00 0.34 H new ATOM 0 HD22 LEU A 135 10.357 1.171 5.356 1.00 0.34 H new ATOM 0 HD23 LEU A 135 11.677 2.308 5.722 1.00 0.34 H new ATOM 1053 N LYS A 136 14.600 0.854 1.860 1.00 0.39 N ATOM 1054 CA LYS A 136 15.416 0.033 0.971 1.00 0.42 C ATOM 1055 C LYS A 136 14.811 -1.355 0.821 1.00 0.41 C ATOM 1056 O LYS A 136 15.283 -2.323 1.426 1.00 0.47 O ATOM 1057 CB LYS A 136 16.858 -0.068 1.477 1.00 0.47 C ATOM 1058 CG LYS A 136 17.576 1.268 1.570 1.00 1.24 C ATOM 1059 CD LYS A 136 19.031 1.081 1.959 1.00 1.64 C ATOM 1060 CE LYS A 136 19.766 2.406 2.083 1.00 2.49 C ATOM 1061 NZ LYS A 136 19.271 3.219 3.224 1.00 2.87 N ATOM 0 H LYS A 136 14.300 1.737 1.448 1.00 0.39 H new ATOM 0 HA LYS A 136 15.434 0.516 -0.006 1.00 0.42 H new ATOM 0 HB2 LYS A 136 16.855 -0.536 2.461 1.00 0.47 H new ATOM 0 HB3 LYS A 136 17.420 -0.725 0.813 1.00 0.47 H new ATOM 0 HG2 LYS A 136 17.516 1.784 0.612 1.00 1.24 H new ATOM 0 HG3 LYS A 136 17.079 1.901 2.305 1.00 1.24 H new ATOM 0 HD2 LYS A 136 19.086 0.546 2.907 1.00 1.64 H new ATOM 0 HD3 LYS A 136 19.528 0.460 1.214 1.00 1.64 H new ATOM 0 HE2 LYS A 136 20.832 2.217 2.209 1.00 2.49 H new ATOM 0 HE3 LYS A 136 19.650 2.972 1.159 1.00 2.49 H new ATOM 0 HZ1 LYS A 136 19.933 4.000 3.407 1.00 2.87 H new ATOM 0 HZ2 LYS A 136 18.334 3.607 2.993 1.00 2.87 H new ATOM 0 HZ3 LYS A 136 19.199 2.620 4.071 1.00 2.87 H new ATOM 1075 N VAL A 137 13.746 -1.448 0.031 1.00 0.37 N ATOM 1076 CA VAL A 137 13.083 -2.722 -0.183 1.00 0.38 C ATOM 1077 C VAL A 137 13.972 -3.641 -1.003 1.00 0.43 C ATOM 1078 O VAL A 137 14.074 -3.511 -2.223 1.00 0.48 O ATOM 1079 CB VAL A 137 11.721 -2.563 -0.894 1.00 0.38 C ATOM 1080 CG1 VAL A 137 10.948 -3.874 -0.870 1.00 0.45 C ATOM 1081 CG2 VAL A 137 10.911 -1.439 -0.260 1.00 0.47 C ATOM 0 H VAL A 137 13.329 -0.661 -0.466 1.00 0.37 H new ATOM 0 HA VAL A 137 12.898 -3.155 0.800 1.00 0.38 H new ATOM 0 HB VAL A 137 11.905 -2.299 -1.935 1.00 0.38 H new ATOM 0 HG11 VAL A 137 9.991 -3.742 -1.376 1.00 0.45 H new ATOM 0 HG12 VAL A 137 11.524 -4.646 -1.380 1.00 0.45 H new ATOM 0 HG13 VAL A 137 10.774 -4.175 0.163 1.00 0.45 H new ATOM 0 HG21 VAL A 137 9.955 -1.344 -0.776 1.00 0.47 H new ATOM 0 HG22 VAL A 137 10.735 -1.666 0.792 1.00 0.47 H new ATOM 0 HG23 VAL A 137 11.462 -0.502 -0.342 1.00 0.47 H new ATOM 1091 N THR A 138 14.622 -4.553 -0.309 1.00 0.50 N ATOM 1092 CA THR A 138 15.478 -5.543 -0.930 1.00 0.60 C ATOM 1093 C THR A 138 14.647 -6.537 -1.733 1.00 0.55 C ATOM 1094 O THR A 138 13.577 -6.948 -1.292 1.00 0.51 O ATOM 1095 CB THR A 138 16.257 -6.299 0.156 1.00 0.73 C ATOM 1096 OG1 THR A 138 15.339 -6.792 1.139 1.00 0.72 O ATOM 1097 CG2 THR A 138 17.283 -5.394 0.820 1.00 0.88 C ATOM 0 H THR A 138 14.571 -4.629 0.707 1.00 0.50 H new ATOM 0 HA THR A 138 16.171 -5.035 -1.601 1.00 0.60 H new ATOM 0 HB THR A 138 16.787 -7.131 -0.309 1.00 0.73 H new ATOM 0 HG1 THR A 138 14.474 -6.973 0.717 1.00 0.72 H new ATOM 0 HG21 THR A 138 17.821 -5.954 1.585 1.00 0.88 H new ATOM 0 HG22 THR A 138 17.988 -5.033 0.071 1.00 0.88 H new ATOM 0 HG23 THR A 138 16.776 -4.546 1.280 1.00 0.88 H new ATOM 1105 N PRO A 139 15.131 -6.924 -2.927 1.00 0.63 N ATOM 1106 CA PRO A 139 14.455 -7.904 -3.790 1.00 0.67 C ATOM 1107 C PRO A 139 14.145 -9.221 -3.076 1.00 0.63 C ATOM 1108 O PRO A 139 13.191 -9.917 -3.429 1.00 0.74 O ATOM 1109 CB PRO A 139 15.461 -8.140 -4.918 1.00 0.86 C ATOM 1110 CG PRO A 139 16.272 -6.893 -4.968 1.00 0.93 C ATOM 1111 CD PRO A 139 16.364 -6.404 -3.550 1.00 0.77 C ATOM 0 HA PRO A 139 13.486 -7.535 -4.125 1.00 0.67 H new ATOM 0 HB2 PRO A 139 16.085 -9.010 -4.716 1.00 0.86 H new ATOM 0 HB3 PRO A 139 14.956 -8.323 -5.867 1.00 0.86 H new ATOM 0 HG2 PRO A 139 17.263 -7.088 -5.379 1.00 0.93 H new ATOM 0 HG3 PRO A 139 15.802 -6.147 -5.609 1.00 0.93 H new ATOM 0 HD2 PRO A 139 17.256 -6.783 -3.052 1.00 0.77 H new ATOM 0 HD3 PRO A 139 16.410 -5.316 -3.503 1.00 0.77 H new ATOM 1119 N ALA A 140 14.952 -9.563 -2.074 1.00 0.64 N ATOM 1120 CA ALA A 140 14.730 -10.774 -1.291 1.00 0.72 C ATOM 1121 C ALA A 140 13.549 -10.605 -0.338 1.00 0.64 C ATOM 1122 O ALA A 140 12.935 -11.581 0.088 1.00 0.77 O ATOM 1123 CB ALA A 140 15.984 -11.144 -0.515 1.00 0.89 C ATOM 0 H ALA A 140 15.765 -9.018 -1.786 1.00 0.64 H new ATOM 0 HA ALA A 140 14.494 -11.582 -1.984 1.00 0.72 H new ATOM 0 HB1 ALA A 140 15.800 -12.049 0.063 1.00 0.89 H new ATOM 0 HB2 ALA A 140 16.804 -11.318 -1.211 1.00 0.89 H new ATOM 0 HB3 ALA A 140 16.248 -10.330 0.160 1.00 0.89 H new ATOM 1129 N ASN A 141 13.230 -9.361 -0.015 1.00 0.54 N ATOM 1130 CA ASN A 141 12.119 -9.057 0.880 1.00 0.54 C ATOM 1131 C ASN A 141 11.172 -8.084 0.192 1.00 0.42 C ATOM 1132 O ASN A 141 10.731 -7.098 0.778 1.00 0.42 O ATOM 1133 CB ASN A 141 12.621 -8.450 2.199 1.00 0.69 C ATOM 1134 CG ASN A 141 13.654 -9.315 2.900 1.00 0.82 C ATOM 1135 OD1 ASN A 141 13.315 -10.216 3.667 1.00 1.10 O ATOM 1136 ND2 ASN A 141 14.927 -9.033 2.663 1.00 1.02 N ATOM 0 H ASN A 141 13.727 -8.540 -0.361 1.00 0.54 H new ATOM 0 HA ASN A 141 11.595 -9.984 1.112 1.00 0.54 H new ATOM 0 HB2 ASN A 141 13.053 -7.469 1.999 1.00 0.69 H new ATOM 0 HB3 ASN A 141 11.773 -8.295 2.866 1.00 0.69 H new ATOM 0 HD21 ASN A 141 15.662 -9.570 3.123 1.00 1.02 H new ATOM 0 HD22 ASN A 141 15.171 -8.279 2.021 1.00 1.02 H new ATOM 1143 N SER A 142 10.878 -8.372 -1.067 1.00 0.36 N ATOM 1144 CA SER A 142 10.091 -7.476 -1.901 1.00 0.31 C ATOM 1145 C SER A 142 8.594 -7.727 -1.732 1.00 0.26 C ATOM 1146 O SER A 142 7.766 -6.966 -2.238 1.00 0.26 O ATOM 1147 CB SER A 142 10.502 -7.656 -3.362 1.00 0.37 C ATOM 1148 OG SER A 142 10.632 -9.034 -3.684 1.00 1.23 O ATOM 0 H SER A 142 11.176 -9.227 -1.537 1.00 0.36 H new ATOM 0 HA SER A 142 10.286 -6.450 -1.590 1.00 0.31 H new ATOM 0 HB2 SER A 142 9.759 -7.194 -4.013 1.00 0.37 H new ATOM 0 HB3 SER A 142 11.447 -7.145 -3.544 1.00 0.37 H new ATOM 0 HG SER A 142 11.545 -9.331 -3.489 1.00 1.23 H new ATOM 1154 N THR A 143 8.249 -8.797 -1.025 1.00 0.30 N ATOM 1155 CA THR A 143 6.856 -9.115 -0.771 1.00 0.31 C ATOM 1156 C THR A 143 6.337 -8.275 0.387 1.00 0.25 C ATOM 1157 O THR A 143 6.576 -8.583 1.557 1.00 0.34 O ATOM 1158 CB THR A 143 6.661 -10.610 -0.457 1.00 0.41 C ATOM 1159 OG1 THR A 143 7.351 -11.405 -1.433 1.00 0.48 O ATOM 1160 CG2 THR A 143 5.181 -10.976 -0.450 1.00 0.45 C ATOM 0 H THR A 143 8.915 -9.455 -0.620 1.00 0.30 H new ATOM 0 HA THR A 143 6.292 -8.886 -1.675 1.00 0.31 H new ATOM 0 HB THR A 143 7.070 -10.809 0.533 1.00 0.41 H new ATOM 0 HG1 THR A 143 7.226 -12.355 -1.229 1.00 0.48 H new ATOM 0 HG21 THR A 143 5.070 -12.037 -0.226 1.00 0.45 H new ATOM 0 HG22 THR A 143 4.665 -10.389 0.309 1.00 0.45 H new ATOM 0 HG23 THR A 143 4.749 -10.765 -1.428 1.00 0.45 H new ATOM 1168 N ILE A 144 5.647 -7.205 0.046 1.00 0.20 N ATOM 1169 CA ILE A 144 5.107 -6.289 1.028 1.00 0.18 C ATOM 1170 C ILE A 144 3.716 -6.743 1.438 1.00 0.18 C ATOM 1171 O ILE A 144 2.881 -7.041 0.588 1.00 0.24 O ATOM 1172 CB ILE A 144 5.019 -4.854 0.459 1.00 0.21 C ATOM 1173 CG1 ILE A 144 6.376 -4.403 -0.095 1.00 0.22 C ATOM 1174 CG2 ILE A 144 4.523 -3.880 1.519 1.00 0.27 C ATOM 1175 CD1 ILE A 144 7.485 -4.376 0.934 1.00 0.25 C ATOM 0 H ILE A 144 5.445 -6.947 -0.920 1.00 0.20 H new ATOM 0 HA ILE A 144 5.773 -6.285 1.891 1.00 0.18 H new ATOM 0 HB ILE A 144 4.301 -4.861 -0.361 1.00 0.21 H new ATOM 0 HG12 ILE A 144 6.665 -5.070 -0.907 1.00 0.22 H new ATOM 0 HG13 ILE A 144 6.268 -3.407 -0.524 1.00 0.22 H new ATOM 0 HG21 ILE A 144 4.469 -2.877 1.095 1.00 0.27 H new ATOM 0 HG22 ILE A 144 3.533 -4.184 1.858 1.00 0.27 H new ATOM 0 HG23 ILE A 144 5.211 -3.880 2.364 1.00 0.27 H new ATOM 0 HD11 ILE A 144 8.411 -4.047 0.462 1.00 0.25 H new ATOM 0 HD12 ILE A 144 7.221 -3.686 1.736 1.00 0.25 H new ATOM 0 HD13 ILE A 144 7.623 -5.376 1.346 1.00 0.25 H new ATOM 1187 N THR A 145 3.467 -6.805 2.731 1.00 0.14 N ATOM 1188 CA THR A 145 2.142 -7.132 3.213 1.00 0.14 C ATOM 1189 C THR A 145 1.317 -5.861 3.281 1.00 0.14 C ATOM 1190 O THR A 145 1.518 -5.031 4.164 1.00 0.19 O ATOM 1191 CB THR A 145 2.188 -7.783 4.607 1.00 0.17 C ATOM 1192 OG1 THR A 145 3.126 -8.868 4.601 1.00 0.21 O ATOM 1193 CG2 THR A 145 0.814 -8.298 5.013 1.00 0.19 C ATOM 0 H THR A 145 4.159 -6.635 3.461 1.00 0.14 H new ATOM 0 HA THR A 145 1.694 -7.848 2.524 1.00 0.14 H new ATOM 0 HB THR A 145 2.501 -7.029 5.329 1.00 0.17 H new ATOM 0 HG1 THR A 145 3.155 -9.280 5.490 1.00 0.21 H new ATOM 0 HG21 THR A 145 0.874 -8.753 6.002 1.00 0.19 H new ATOM 0 HG22 THR A 145 0.107 -7.469 5.038 1.00 0.19 H new ATOM 0 HG23 THR A 145 0.476 -9.041 4.291 1.00 0.19 H new ATOM 1201 N VAL A 146 0.412 -5.687 2.335 1.00 0.14 N ATOM 1202 CA VAL A 146 -0.371 -4.475 2.293 1.00 0.15 C ATOM 1203 C VAL A 146 -1.801 -4.733 2.777 1.00 0.15 C ATOM 1204 O VAL A 146 -2.610 -5.403 2.127 1.00 0.19 O ATOM 1205 CB VAL A 146 -0.333 -3.812 0.895 1.00 0.15 C ATOM 1206 CG1 VAL A 146 -1.059 -4.633 -0.149 1.00 0.16 C ATOM 1207 CG2 VAL A 146 -0.884 -2.402 0.960 1.00 0.20 C ATOM 0 H VAL A 146 0.206 -6.361 1.598 1.00 0.14 H new ATOM 0 HA VAL A 146 0.081 -3.761 2.981 1.00 0.15 H new ATOM 0 HB VAL A 146 0.711 -3.764 0.586 1.00 0.15 H new ATOM 0 HG11 VAL A 146 -1.005 -4.127 -1.113 1.00 0.16 H new ATOM 0 HG12 VAL A 146 -0.593 -5.615 -0.228 1.00 0.16 H new ATOM 0 HG13 VAL A 146 -2.103 -4.749 0.141 1.00 0.16 H new ATOM 0 HG21 VAL A 146 -0.849 -1.952 -0.032 1.00 0.20 H new ATOM 0 HG22 VAL A 146 -1.916 -2.430 1.310 1.00 0.20 H new ATOM 0 HG23 VAL A 146 -0.284 -1.808 1.649 1.00 0.20 H new ATOM 1217 N MET A 147 -2.083 -4.233 3.965 1.00 0.17 N ATOM 1218 CA MET A 147 -3.388 -4.379 4.572 1.00 0.18 C ATOM 1219 C MET A 147 -4.283 -3.234 4.135 1.00 0.15 C ATOM 1220 O MET A 147 -4.151 -2.112 4.624 1.00 0.19 O ATOM 1221 CB MET A 147 -3.270 -4.396 6.101 1.00 0.24 C ATOM 1222 CG MET A 147 -2.353 -5.481 6.640 1.00 0.26 C ATOM 1223 SD MET A 147 -2.297 -5.500 8.444 1.00 0.95 S ATOM 1224 CE MET A 147 -1.185 -6.876 8.735 1.00 1.62 C ATOM 0 H MET A 147 -1.413 -3.715 4.534 1.00 0.17 H new ATOM 0 HA MET A 147 -3.824 -5.324 4.248 1.00 0.18 H new ATOM 0 HB2 MET A 147 -2.904 -3.426 6.437 1.00 0.24 H new ATOM 0 HB3 MET A 147 -4.263 -4.528 6.530 1.00 0.24 H new ATOM 0 HG2 MET A 147 -2.692 -6.452 6.279 1.00 0.26 H new ATOM 0 HG3 MET A 147 -1.347 -5.330 6.249 1.00 0.26 H new ATOM 0 HE1 MET A 147 -1.106 -7.059 9.807 1.00 1.62 H new ATOM 0 HE2 MET A 147 -1.573 -7.768 8.242 1.00 1.62 H new ATOM 0 HE3 MET A 147 -0.200 -6.639 8.334 1.00 1.62 H new ATOM 1234 N ILE A 148 -5.178 -3.511 3.203 1.00 0.12 N ATOM 1235 CA ILE A 148 -6.071 -2.489 2.686 1.00 0.09 C ATOM 1236 C ILE A 148 -7.523 -2.871 2.902 1.00 0.10 C ATOM 1237 O ILE A 148 -7.915 -4.013 2.644 1.00 0.14 O ATOM 1238 CB ILE A 148 -5.879 -2.256 1.176 1.00 0.11 C ATOM 1239 CG1 ILE A 148 -4.437 -1.877 0.856 1.00 0.12 C ATOM 1240 CG2 ILE A 148 -6.840 -1.178 0.701 1.00 0.19 C ATOM 1241 CD1 ILE A 148 -4.164 -1.733 -0.625 1.00 0.14 C ATOM 0 H ILE A 148 -5.306 -4.434 2.789 1.00 0.12 H new ATOM 0 HA ILE A 148 -5.825 -1.578 3.232 1.00 0.09 H new ATOM 0 HB ILE A 148 -6.096 -3.185 0.648 1.00 0.11 H new ATOM 0 HG12 ILE A 148 -4.198 -0.938 1.354 1.00 0.12 H new ATOM 0 HG13 ILE A 148 -3.771 -2.635 1.268 1.00 0.12 H new ATOM 0 HG21 ILE A 148 -6.703 -1.014 -0.368 1.00 0.19 H new ATOM 0 HG22 ILE A 148 -7.865 -1.495 0.891 1.00 0.19 H new ATOM 0 HG23 ILE A 148 -6.641 -0.251 1.239 1.00 0.19 H new ATOM 0 HD11 ILE A 148 -3.119 -1.462 -0.778 1.00 0.14 H new ATOM 0 HD12 ILE A 148 -4.371 -2.678 -1.127 1.00 0.14 H new ATOM 0 HD13 ILE A 148 -4.805 -0.954 -1.039 1.00 0.14 H new ATOM 1253 N LYS A 149 -8.311 -1.915 3.359 1.00 0.12 N ATOM 1254 CA LYS A 149 -9.754 -2.088 3.437 1.00 0.16 C ATOM 1255 C LYS A 149 -10.453 -0.867 2.850 1.00 0.22 C ATOM 1256 O LYS A 149 -10.604 0.151 3.526 1.00 0.34 O ATOM 1257 CB LYS A 149 -10.197 -2.297 4.885 1.00 0.22 C ATOM 1258 CG LYS A 149 -9.581 -3.520 5.535 1.00 0.35 C ATOM 1259 CD LYS A 149 -10.129 -4.808 4.939 1.00 0.66 C ATOM 1260 CE LYS A 149 -9.702 -6.027 5.743 1.00 0.76 C ATOM 1261 NZ LYS A 149 -10.372 -6.086 7.069 1.00 1.18 N ATOM 0 H LYS A 149 -7.977 -1.007 3.683 1.00 0.12 H new ATOM 0 HA LYS A 149 -10.029 -2.973 2.862 1.00 0.16 H new ATOM 0 HB2 LYS A 149 -9.934 -1.414 5.468 1.00 0.22 H new ATOM 0 HB3 LYS A 149 -11.283 -2.387 4.915 1.00 0.22 H new ATOM 0 HG2 LYS A 149 -8.499 -3.493 5.410 1.00 0.35 H new ATOM 0 HG3 LYS A 149 -9.779 -3.502 6.607 1.00 0.35 H new ATOM 0 HD2 LYS A 149 -11.217 -4.758 4.904 1.00 0.66 H new ATOM 0 HD3 LYS A 149 -9.781 -4.910 3.911 1.00 0.66 H new ATOM 0 HE2 LYS A 149 -9.933 -6.931 5.180 1.00 0.76 H new ATOM 0 HE3 LYS A 149 -8.621 -6.007 5.884 1.00 0.76 H new ATOM 0 HZ1 LYS A 149 -10.244 -7.032 7.481 1.00 1.18 H new ATOM 0 HZ2 LYS A 149 -9.954 -5.373 7.701 1.00 1.18 H new ATOM 0 HZ3 LYS A 149 -11.388 -5.894 6.954 1.00 1.18 H new ATOM 1275 N PRO A 150 -10.866 -0.941 1.577 1.00 0.23 N ATOM 1276 CA PRO A 150 -11.552 0.165 0.906 1.00 0.30 C ATOM 1277 C PRO A 150 -12.926 0.429 1.512 1.00 0.45 C ATOM 1278 O PRO A 150 -13.535 -0.458 2.112 1.00 0.78 O ATOM 1279 CB PRO A 150 -11.695 -0.313 -0.548 1.00 0.47 C ATOM 1280 CG PRO A 150 -10.780 -1.485 -0.673 1.00 0.44 C ATOM 1281 CD PRO A 150 -10.710 -2.102 0.693 1.00 0.29 C ATOM 0 HA PRO A 150 -11.001 1.101 1.000 1.00 0.30 H new ATOM 0 HB2 PRO A 150 -12.725 -0.593 -0.770 1.00 0.47 H new ATOM 0 HB3 PRO A 150 -11.421 0.475 -1.249 1.00 0.47 H new ATOM 0 HG2 PRO A 150 -11.158 -2.199 -1.405 1.00 0.44 H new ATOM 0 HG3 PRO A 150 -9.792 -1.174 -1.012 1.00 0.44 H new ATOM 0 HD2 PRO A 150 -11.500 -2.837 0.847 1.00 0.29 H new ATOM 0 HD3 PRO A 150 -9.762 -2.613 0.859 1.00 0.29 H new