USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 500 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 133 THR OG1 : rot -157:sc= 1.22 USER MOD Set 1.2: A 172 GLN : amide:sc= 0.868 K(o=2.1,f=-0.5) USER MOD Single : A 134 GLN : amide:sc=-0.00257 K(o=-0.0026,f=-1.4) USER MOD Single : A 140 ASN : amide:sc= 0.403 K(o=0.4,f=-3!) USER MOD Single : A 144 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.96) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 ASN : amide:sc= -0.175 X(o=-0.17,f=-0.17) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot -160:sc= -1.04 USER MOD Single : A 152 SER OG : rot -89:sc= 1.25 USER MOD Single : A 154 MET CE :methyl -158:sc= -1.15 (180deg=-2.74!) USER MOD Single : A 155 MET CE :methyl 167:sc= -0.0105 (180deg=-0.0951) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.2) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 49:sc= -4.11! USER MOD Single : A 168 LYS NZ :NH3+ 147:sc= -0.681 (180deg=-2.66!) USER MOD Single : A 169 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 170 ASN : amide:sc= -0.0363 K(o=-0.036,f=-1.2!) USER MOD Single : A 176 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 180 THR OG1 : rot -55:sc= 1.03 USER MOD Single : A 185 MET CE :methyl -141:sc= -2.83 (180deg=-4.66!) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl -111:sc= -7.73! (180deg=-10.8!) USER MOD Single : A 190 THR OG1 : rot 51:sc= 0.925 USER MOD Single : A 192 MET CE :methyl -144:sc= -0.352 (180deg=-2!) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 63.211 -1.331 -4.715 1.00 0.14 N ATOM 92 CA THR A 133 62.267 -0.979 -5.766 1.00 0.14 C ATOM 93 C THR A 133 61.595 -2.198 -6.373 1.00 0.13 C ATOM 94 O THR A 133 60.433 -2.139 -6.743 1.00 0.15 O ATOM 95 CB THR A 133 62.998 -0.212 -6.872 1.00 0.18 C ATOM 96 OG1 THR A 133 63.862 -1.101 -7.567 1.00 0.16 O ATOM 97 CG2 THR A 133 63.821 0.927 -6.266 1.00 0.30 C ATOM 0 HA THR A 133 61.492 -0.362 -5.312 1.00 0.14 H new ATOM 0 HB THR A 133 62.265 0.207 -7.562 1.00 0.18 H new ATOM 0 HG1 THR A 133 64.579 -0.590 -7.997 1.00 0.16 H new ATOM 0 HG21 THR A 133 64.337 1.466 -7.061 1.00 0.30 H new ATOM 0 HG22 THR A 133 63.160 1.611 -5.734 1.00 0.30 H new ATOM 0 HG23 THR A 133 64.554 0.517 -5.571 1.00 0.30 H new ATOM 105 N GLN A 134 62.316 -3.300 -6.469 1.00 0.13 N ATOM 106 CA GLN A 134 61.756 -4.501 -7.078 1.00 0.14 C ATOM 107 C GLN A 134 60.463 -4.950 -6.392 1.00 0.14 C ATOM 108 O GLN A 134 59.479 -5.266 -7.064 1.00 0.16 O ATOM 109 CB GLN A 134 62.781 -5.633 -7.030 1.00 0.14 C ATOM 110 CG GLN A 134 63.985 -5.269 -7.902 1.00 0.15 C ATOM 111 CD GLN A 134 65.041 -6.366 -7.822 1.00 0.19 C ATOM 112 OE1 GLN A 134 65.036 -7.170 -6.889 1.00 0.91 O ATOM 113 NE2 GLN A 134 65.954 -6.449 -8.751 1.00 0.81 N ATOM 0 H GLN A 134 63.277 -3.393 -6.140 1.00 0.13 H new ATOM 0 HA GLN A 134 61.513 -4.258 -8.113 1.00 0.14 H new ATOM 0 HB2 GLN A 134 63.101 -5.804 -6.002 1.00 0.14 H new ATOM 0 HB3 GLN A 134 62.331 -6.561 -7.382 1.00 0.14 H new ATOM 0 HG2 GLN A 134 63.667 -5.134 -8.936 1.00 0.15 H new ATOM 0 HG3 GLN A 134 64.409 -4.321 -7.572 1.00 0.15 H new ATOM 0 HE21 GLN A 134 65.958 -5.783 -9.523 1.00 0.81 H new ATOM 0 HE22 GLN A 134 66.664 -7.180 -8.705 1.00 0.81 H new ATOM 122 N LEU A 135 60.451 -4.969 -5.065 1.00 0.12 N ATOM 123 CA LEU A 135 59.267 -5.427 -4.344 1.00 0.14 C ATOM 124 C LEU A 135 58.021 -4.609 -4.686 1.00 0.14 C ATOM 125 O LEU A 135 57.012 -5.169 -5.115 1.00 0.17 O ATOM 126 CB LEU A 135 59.538 -5.327 -2.852 1.00 0.15 C ATOM 127 CG LEU A 135 60.700 -6.243 -2.491 1.00 0.21 C ATOM 128 CD1 LEU A 135 61.119 -5.979 -1.048 1.00 0.24 C ATOM 129 CD2 LEU A 135 60.254 -7.697 -2.640 1.00 0.26 C ATOM 0 H LEU A 135 61.230 -4.679 -4.474 1.00 0.12 H new ATOM 0 HA LEU A 135 59.070 -6.457 -4.642 1.00 0.14 H new ATOM 0 HB2 LEU A 135 59.773 -4.298 -2.581 1.00 0.15 H new ATOM 0 HB3 LEU A 135 58.648 -5.609 -2.289 1.00 0.15 H new ATOM 0 HG LEU A 135 61.545 -6.051 -3.153 1.00 0.21 H new ATOM 0 HD11 LEU A 135 61.951 -6.633 -0.785 1.00 0.24 H new ATOM 0 HD12 LEU A 135 61.428 -4.939 -0.943 1.00 0.24 H new ATOM 0 HD13 LEU A 135 60.278 -6.177 -0.383 1.00 0.24 H new ATOM 0 HD21 LEU A 135 61.081 -8.359 -2.383 1.00 0.26 H new ATOM 0 HD22 LEU A 135 59.414 -7.890 -1.973 1.00 0.26 H new ATOM 0 HD23 LEU A 135 59.949 -7.880 -3.670 1.00 0.26 H new ATOM 141 N PHE A 136 58.085 -3.294 -4.501 1.00 0.12 N ATOM 142 CA PHE A 136 56.942 -2.447 -4.835 1.00 0.12 C ATOM 143 C PHE A 136 56.805 -2.143 -6.325 1.00 0.13 C ATOM 144 O PHE A 136 55.699 -1.891 -6.803 1.00 0.14 O ATOM 145 CB PHE A 136 56.808 -1.203 -3.953 1.00 0.10 C ATOM 146 CG PHE A 136 58.069 -0.631 -3.379 1.00 0.09 C ATOM 147 CD1 PHE A 136 59.028 0.010 -4.184 1.00 0.08 C ATOM 148 CD2 PHE A 136 58.248 -0.704 -1.986 1.00 0.09 C ATOM 149 CE1 PHE A 136 60.175 0.571 -3.582 1.00 0.08 C ATOM 150 CE2 PHE A 136 59.389 -0.147 -1.389 1.00 0.08 C ATOM 151 CZ PHE A 136 60.354 0.491 -2.184 1.00 0.08 C ATOM 0 H PHE A 136 58.896 -2.799 -4.130 1.00 0.12 H new ATOM 0 HA PHE A 136 56.078 -3.064 -4.590 1.00 0.12 H new ATOM 0 HB2 PHE A 136 56.320 -0.424 -4.539 1.00 0.10 H new ATOM 0 HB3 PHE A 136 56.140 -1.445 -3.126 1.00 0.10 H new ATOM 0 HD1 PHE A 136 58.888 0.072 -5.253 1.00 0.08 H new ATOM 0 HD2 PHE A 136 57.504 -1.191 -1.373 1.00 0.09 H new ATOM 0 HE1 PHE A 136 60.918 1.063 -4.193 1.00 0.08 H new ATOM 0 HE2 PHE A 136 59.525 -0.209 -0.319 1.00 0.08 H new ATOM 0 HZ PHE A 136 61.233 0.920 -1.726 1.00 0.08 H new ATOM 161 N ALA A 137 57.907 -2.163 -7.063 1.00 0.14 N ATOM 162 CA ALA A 137 57.841 -1.883 -8.499 1.00 0.16 C ATOM 163 C ALA A 137 56.978 -2.950 -9.178 1.00 0.18 C ATOM 164 O ALA A 137 56.382 -2.712 -10.228 1.00 0.21 O ATOM 165 CB ALA A 137 59.239 -1.874 -9.120 1.00 0.17 C ATOM 0 H ALA A 137 58.841 -2.365 -6.705 1.00 0.14 H new ATOM 0 HA ALA A 137 57.399 -0.897 -8.645 1.00 0.16 H new ATOM 0 HB1 ALA A 137 59.162 -1.664 -10.187 1.00 0.17 H new ATOM 0 HB2 ALA A 137 59.845 -1.105 -8.641 1.00 0.17 H new ATOM 0 HB3 ALA A 137 59.708 -2.847 -8.975 1.00 0.17 H new ATOM 171 N ASP A 138 56.924 -4.130 -8.554 1.00 0.18 N ATOM 172 CA ASP A 138 56.121 -5.252 -9.046 1.00 0.21 C ATOM 173 C ASP A 138 54.663 -4.751 -9.184 1.00 0.22 C ATOM 174 O ASP A 138 54.379 -3.616 -8.799 1.00 0.23 O ATOM 175 CB ASP A 138 56.191 -6.355 -7.971 1.00 0.21 C ATOM 176 CG ASP A 138 56.100 -7.760 -8.566 1.00 0.37 C ATOM 177 OD1 ASP A 138 56.180 -7.887 -9.774 1.00 0.61 O ATOM 178 OD2 ASP A 138 55.950 -8.694 -7.796 1.00 0.35 O ATOM 0 H ASP A 138 57.435 -4.334 -7.695 1.00 0.18 H new ATOM 0 HA ASP A 138 56.475 -5.632 -10.004 1.00 0.21 H new ATOM 0 HB2 ASP A 138 57.125 -6.259 -7.417 1.00 0.21 H new ATOM 0 HB3 ASP A 138 55.380 -6.213 -7.257 1.00 0.21 H new ATOM 183 N PRO A 139 53.735 -5.528 -9.701 1.00 0.24 N ATOM 184 CA PRO A 139 52.310 -5.087 -9.765 1.00 0.24 C ATOM 185 C PRO A 139 51.740 -4.891 -8.372 1.00 0.19 C ATOM 186 O PRO A 139 52.349 -5.305 -7.385 1.00 0.40 O ATOM 187 CB PRO A 139 51.571 -6.207 -10.498 1.00 0.30 C ATOM 188 CG PRO A 139 52.625 -7.010 -11.167 1.00 0.31 C ATOM 189 CD PRO A 139 53.890 -6.849 -10.325 1.00 0.40 C ATOM 0 HA PRO A 139 52.208 -4.130 -10.277 1.00 0.24 H new ATOM 0 HB2 PRO A 139 50.995 -6.818 -9.802 1.00 0.30 H new ATOM 0 HB3 PRO A 139 50.867 -5.802 -11.224 1.00 0.30 H new ATOM 0 HG2 PRO A 139 52.332 -8.058 -11.232 1.00 0.31 H new ATOM 0 HG3 PRO A 139 52.790 -6.662 -12.187 1.00 0.31 H new ATOM 0 HD2 PRO A 139 53.974 -7.637 -9.576 1.00 0.40 H new ATOM 0 HD3 PRO A 139 54.788 -6.897 -10.941 1.00 0.40 H new ATOM 197 N ASN A 140 50.570 -4.256 -8.313 1.00 0.32 N ATOM 198 CA ASN A 140 49.879 -3.907 -7.056 1.00 0.32 C ATOM 199 C ASN A 140 50.419 -4.627 -5.819 1.00 0.20 C ATOM 200 O ASN A 140 49.995 -5.740 -5.509 1.00 0.22 O ATOM 201 CB ASN A 140 48.381 -4.245 -7.178 1.00 0.42 C ATOM 202 CG ASN A 140 47.876 -3.996 -8.600 1.00 0.55 C ATOM 203 OD1 ASN A 140 48.388 -3.118 -9.294 1.00 0.62 O ATOM 204 ND2 ASN A 140 46.926 -4.742 -9.087 1.00 0.61 N ATOM 0 H ASN A 140 50.061 -3.962 -9.147 1.00 0.32 H new ATOM 0 HA ASN A 140 50.053 -2.840 -6.915 1.00 0.32 H new ATOM 0 HB2 ASN A 140 48.217 -5.288 -6.908 1.00 0.42 H new ATOM 0 HB3 ASN A 140 47.810 -3.640 -6.474 1.00 0.42 H new ATOM 0 HD21 ASN A 140 46.605 -4.599 -10.045 1.00 0.61 H new ATOM 0 HD22 ASN A 140 46.503 -5.469 -8.511 1.00 0.61 H new ATOM 211 N LEU A 141 51.350 -3.989 -5.119 1.00 0.13 N ATOM 212 CA LEU A 141 51.870 -4.571 -3.891 1.00 0.07 C ATOM 213 C LEU A 141 51.341 -3.767 -2.691 1.00 0.07 C ATOM 214 O LEU A 141 51.389 -4.222 -1.549 1.00 0.11 O ATOM 215 CB LEU A 141 53.405 -4.519 -3.916 1.00 0.08 C ATOM 216 CG LEU A 141 53.985 -5.056 -2.603 1.00 0.14 C ATOM 217 CD1 LEU A 141 53.764 -6.567 -2.514 1.00 0.23 C ATOM 218 CD2 LEU A 141 55.479 -4.746 -2.551 1.00 0.17 C ATOM 0 H LEU A 141 51.752 -3.087 -5.375 1.00 0.13 H new ATOM 0 HA LEU A 141 51.547 -5.608 -3.804 1.00 0.07 H new ATOM 0 HB2 LEU A 141 53.780 -5.107 -4.753 1.00 0.08 H new ATOM 0 HB3 LEU A 141 53.737 -3.493 -4.074 1.00 0.08 H new ATOM 0 HG LEU A 141 53.483 -4.578 -1.762 1.00 0.14 H new ATOM 0 HD11 LEU A 141 54.179 -6.941 -1.578 1.00 0.23 H new ATOM 0 HD12 LEU A 141 52.696 -6.781 -2.548 1.00 0.23 H new ATOM 0 HD13 LEU A 141 54.259 -7.057 -3.352 1.00 0.23 H new ATOM 0 HD21 LEU A 141 55.897 -5.126 -1.619 1.00 0.17 H new ATOM 0 HD22 LEU A 141 55.979 -5.223 -3.394 1.00 0.17 H new ATOM 0 HD23 LEU A 141 55.629 -3.668 -2.603 1.00 0.17 H new ATOM 230 N ILE A 142 50.816 -2.569 -2.968 1.00 0.07 N ATOM 231 CA ILE A 142 50.253 -1.724 -1.926 1.00 0.07 C ATOM 232 C ILE A 142 49.047 -2.376 -1.253 1.00 0.09 C ATOM 233 O ILE A 142 48.787 -2.107 -0.083 1.00 0.10 O ATOM 234 CB ILE A 142 49.892 -0.330 -2.490 1.00 0.09 C ATOM 235 CG1 ILE A 142 51.189 0.456 -2.759 1.00 0.09 C ATOM 236 CG2 ILE A 142 49.035 0.454 -1.478 1.00 0.11 C ATOM 237 CD1 ILE A 142 50.850 1.825 -3.365 1.00 0.11 C ATOM 0 H ILE A 142 50.772 -2.169 -3.905 1.00 0.07 H new ATOM 0 HA ILE A 142 51.016 -1.596 -1.158 1.00 0.07 H new ATOM 0 HB ILE A 142 49.326 -0.458 -3.413 1.00 0.09 H new ATOM 0 HG12 ILE A 142 51.745 0.586 -1.831 1.00 0.09 H new ATOM 0 HG13 ILE A 142 51.831 -0.104 -3.439 1.00 0.09 H new ATOM 0 HG21 ILE A 142 48.790 1.433 -1.890 1.00 0.11 H new ATOM 0 HG22 ILE A 142 48.116 -0.096 -1.277 1.00 0.11 H new ATOM 0 HG23 ILE A 142 49.593 0.581 -0.550 1.00 0.11 H new ATOM 0 HD11 ILE A 142 51.771 2.377 -3.554 1.00 0.11 H new ATOM 0 HD12 ILE A 142 50.312 1.685 -4.303 1.00 0.11 H new ATOM 0 HD13 ILE A 142 50.226 2.386 -2.670 1.00 0.11 H new ATOM 249 N GLU A 143 48.308 -3.237 -1.957 1.00 0.11 N ATOM 250 CA GLU A 143 47.123 -3.838 -1.341 1.00 0.12 C ATOM 251 C GLU A 143 47.529 -4.620 -0.094 1.00 0.12 C ATOM 252 O GLU A 143 46.944 -4.458 0.978 1.00 0.12 O ATOM 253 CB GLU A 143 46.448 -4.782 -2.336 1.00 0.14 C ATOM 254 CG GLU A 143 45.921 -3.978 -3.528 1.00 0.16 C ATOM 255 CD GLU A 143 45.187 -4.894 -4.508 1.00 0.17 C ATOM 256 OE1 GLU A 143 45.305 -6.102 -4.371 1.00 0.89 O ATOM 257 OE2 GLU A 143 44.518 -4.372 -5.384 1.00 0.88 O ATOM 0 H GLU A 143 48.498 -3.525 -2.917 1.00 0.11 H new ATOM 0 HA GLU A 143 46.427 -3.047 -1.061 1.00 0.12 H new ATOM 0 HB2 GLU A 143 47.158 -5.535 -2.678 1.00 0.14 H new ATOM 0 HB3 GLU A 143 45.629 -5.313 -1.851 1.00 0.14 H new ATOM 0 HG2 GLU A 143 45.247 -3.196 -3.178 1.00 0.16 H new ATOM 0 HG3 GLU A 143 46.749 -3.482 -4.035 1.00 0.16 H new ATOM 264 N ASN A 144 48.543 -5.466 -0.228 1.00 0.12 N ATOM 265 CA ASN A 144 49.053 -6.210 0.916 1.00 0.12 C ATOM 266 C ASN A 144 49.446 -5.229 2.013 1.00 0.11 C ATOM 267 O ASN A 144 49.165 -5.435 3.194 1.00 0.10 O ATOM 268 CB ASN A 144 50.276 -7.012 0.480 1.00 0.14 C ATOM 269 CG ASN A 144 49.913 -7.916 -0.693 1.00 0.15 C ATOM 270 OD1 ASN A 144 48.770 -8.358 -0.807 1.00 0.16 O ATOM 271 ND2 ASN A 144 50.810 -8.179 -1.605 1.00 0.17 N ATOM 0 H ASN A 144 49.024 -5.653 -1.108 1.00 0.12 H new ATOM 0 HA ASN A 144 48.288 -6.888 1.294 1.00 0.12 H new ATOM 0 HB2 ASN A 144 51.082 -6.336 0.194 1.00 0.14 H new ATOM 0 HB3 ASN A 144 50.644 -7.612 1.312 1.00 0.14 H new ATOM 0 HD21 ASN A 144 50.564 -8.751 -2.413 1.00 0.17 H new ATOM 0 HD22 ASN A 144 51.757 -7.812 -1.510 1.00 0.17 H new ATOM 278 N LEU A 145 50.102 -4.160 1.587 1.00 0.11 N ATOM 279 CA LEU A 145 50.530 -3.105 2.492 1.00 0.12 C ATOM 280 C LEU A 145 49.347 -2.467 3.214 1.00 0.11 C ATOM 281 O LEU A 145 49.499 -1.923 4.300 1.00 0.13 O ATOM 282 CB LEU A 145 51.319 -2.043 1.728 1.00 0.15 C ATOM 283 CG LEU A 145 52.505 -2.704 1.020 1.00 0.16 C ATOM 284 CD1 LEU A 145 53.355 -1.629 0.344 1.00 0.28 C ATOM 285 CD2 LEU A 145 53.362 -3.474 2.035 1.00 0.13 C ATOM 0 H LEU A 145 50.351 -4.000 0.611 1.00 0.11 H new ATOM 0 HA LEU A 145 51.174 -3.556 3.247 1.00 0.12 H new ATOM 0 HB2 LEU A 145 50.675 -1.549 1.000 1.00 0.15 H new ATOM 0 HB3 LEU A 145 51.673 -1.273 2.414 1.00 0.15 H new ATOM 0 HG LEU A 145 52.131 -3.401 0.270 1.00 0.16 H new ATOM 0 HD11 LEU A 145 54.200 -2.097 -0.161 1.00 0.28 H new ATOM 0 HD12 LEU A 145 52.749 -1.091 -0.385 1.00 0.28 H new ATOM 0 HD13 LEU A 145 53.723 -0.930 1.095 1.00 0.28 H new ATOM 0 HD21 LEU A 145 54.203 -3.940 1.522 1.00 0.13 H new ATOM 0 HD22 LEU A 145 53.736 -2.785 2.792 1.00 0.13 H new ATOM 0 HD23 LEU A 145 52.756 -4.244 2.513 1.00 0.13 H new ATOM 297 N LYS A 146 48.178 -2.519 2.601 1.00 0.11 N ATOM 298 CA LYS A 146 46.995 -1.930 3.208 1.00 0.11 C ATOM 299 C LYS A 146 46.550 -2.654 4.489 1.00 0.10 C ATOM 300 O LYS A 146 46.314 -2.014 5.513 1.00 0.11 O ATOM 301 CB LYS A 146 45.826 -1.942 2.217 1.00 0.11 C ATOM 302 CG LYS A 146 46.069 -0.904 1.119 1.00 0.13 C ATOM 303 CD LYS A 146 44.924 -0.955 0.106 1.00 0.15 C ATOM 304 CE LYS A 146 43.641 -0.438 0.760 1.00 0.74 C ATOM 305 NZ LYS A 146 42.550 -0.394 -0.255 1.00 1.20 N ATOM 0 H LYS A 146 48.021 -2.957 1.693 1.00 0.11 H new ATOM 0 HA LYS A 146 47.271 -0.910 3.474 1.00 0.11 H new ATOM 0 HB2 LYS A 146 45.720 -2.933 1.776 1.00 0.11 H new ATOM 0 HB3 LYS A 146 44.893 -1.723 2.737 1.00 0.11 H new ATOM 0 HG2 LYS A 146 46.139 0.093 1.555 1.00 0.13 H new ATOM 0 HG3 LYS A 146 47.018 -1.101 0.621 1.00 0.13 H new ATOM 0 HD2 LYS A 146 45.169 -0.350 -0.767 1.00 0.15 H new ATOM 0 HD3 LYS A 146 44.780 -1.977 -0.245 1.00 0.15 H new ATOM 0 HE2 LYS A 146 43.356 -1.086 1.589 1.00 0.74 H new ATOM 0 HE3 LYS A 146 43.807 0.556 1.175 1.00 0.74 H new ATOM 0 HZ1 LYS A 146 41.677 -0.043 0.188 1.00 1.20 H new ATOM 0 HZ2 LYS A 146 42.824 0.241 -1.032 1.00 1.20 H new ATOM 0 HZ3 LYS A 146 42.387 -1.350 -0.631 1.00 1.20 H new ATOM 319 N LYS A 147 46.428 -3.987 4.439 1.00 0.11 N ATOM 320 CA LYS A 147 45.891 -4.711 5.607 1.00 0.11 C ATOM 321 C LYS A 147 46.848 -5.097 6.766 1.00 0.13 C ATOM 322 O LYS A 147 46.480 -4.870 7.920 1.00 0.14 O ATOM 323 CB LYS A 147 45.214 -5.988 5.110 1.00 0.11 C ATOM 324 CG LYS A 147 43.998 -5.620 4.256 1.00 0.11 C ATOM 325 CD LYS A 147 43.250 -6.893 3.857 1.00 0.14 C ATOM 326 CE LYS A 147 42.101 -6.534 2.913 1.00 1.15 C ATOM 327 NZ LYS A 147 41.437 -7.782 2.441 1.00 1.69 N ATOM 0 H LYS A 147 46.681 -4.569 3.641 1.00 0.11 H new ATOM 0 HA LYS A 147 45.227 -3.978 6.064 1.00 0.11 H new ATOM 0 HB2 LYS A 147 45.917 -6.581 4.525 1.00 0.11 H new ATOM 0 HB3 LYS A 147 44.906 -6.602 5.956 1.00 0.11 H new ATOM 0 HG2 LYS A 147 43.337 -4.956 4.813 1.00 0.11 H new ATOM 0 HG3 LYS A 147 44.316 -5.078 3.365 1.00 0.11 H new ATOM 0 HD2 LYS A 147 43.931 -7.590 3.369 1.00 0.14 H new ATOM 0 HD3 LYS A 147 42.863 -7.394 4.745 1.00 0.14 H new ATOM 0 HE2 LYS A 147 41.380 -5.898 3.426 1.00 1.15 H new ATOM 0 HE3 LYS A 147 42.479 -5.966 2.063 1.00 1.15 H new ATOM 0 HZ1 LYS A 147 40.656 -7.538 1.799 1.00 1.69 H new ATOM 0 HZ2 LYS A 147 42.128 -8.373 1.936 1.00 1.69 H new ATOM 0 HZ3 LYS A 147 41.063 -8.307 3.258 1.00 1.69 H new ATOM 341 N ASN A 148 48.044 -5.664 6.527 1.00 0.15 N ATOM 342 CA ASN A 148 48.875 -6.080 7.684 1.00 0.18 C ATOM 343 C ASN A 148 49.976 -5.119 8.178 1.00 0.15 C ATOM 344 O ASN A 148 50.409 -5.251 9.324 1.00 0.17 O ATOM 345 CB ASN A 148 49.564 -7.392 7.290 1.00 0.23 C ATOM 346 CG ASN A 148 50.314 -7.989 8.479 1.00 0.32 C ATOM 347 OD1 ASN A 148 49.704 -8.584 9.367 1.00 0.77 O ATOM 348 ND2 ASN A 148 51.612 -7.862 8.545 1.00 0.23 N ATOM 0 H ASN A 148 48.444 -5.840 5.605 1.00 0.15 H new ATOM 0 HA ASN A 148 48.174 -6.135 8.517 1.00 0.18 H new ATOM 0 HB2 ASN A 148 48.822 -8.103 6.928 1.00 0.23 H new ATOM 0 HB3 ASN A 148 50.259 -7.211 6.470 1.00 0.23 H new ATOM 0 HD21 ASN A 148 52.124 -8.257 9.334 1.00 0.23 H new ATOM 0 HD22 ASN A 148 52.114 -7.368 7.807 1.00 0.23 H new ATOM 355 N PRO A 149 50.442 -4.185 7.407 1.00 0.11 N ATOM 356 CA PRO A 149 51.487 -3.239 7.862 1.00 0.09 C ATOM 357 C PRO A 149 50.970 -1.842 8.179 1.00 0.05 C ATOM 358 O PRO A 149 50.003 -1.369 7.585 1.00 0.04 O ATOM 359 CB PRO A 149 52.412 -3.193 6.660 1.00 0.11 C ATOM 360 CG PRO A 149 51.526 -3.437 5.478 1.00 0.13 C ATOM 361 CD PRO A 149 50.164 -3.939 6.004 1.00 0.12 C ATOM 0 HA PRO A 149 51.944 -3.563 8.797 1.00 0.09 H new ATOM 0 HB2 PRO A 149 52.913 -2.228 6.585 1.00 0.11 H new ATOM 0 HB3 PRO A 149 53.191 -3.952 6.732 1.00 0.11 H new ATOM 0 HG2 PRO A 149 51.398 -2.521 4.901 1.00 0.13 H new ATOM 0 HG3 PRO A 149 51.973 -4.174 4.811 1.00 0.13 H new ATOM 0 HD2 PRO A 149 49.378 -3.196 5.870 1.00 0.12 H new ATOM 0 HD3 PRO A 149 49.838 -4.843 5.490 1.00 0.12 H new ATOM 369 N LYS A 150 51.639 -1.190 9.121 1.00 0.06 N ATOM 370 CA LYS A 150 51.291 0.173 9.506 1.00 0.08 C ATOM 371 C LYS A 150 51.437 1.103 8.294 1.00 0.08 C ATOM 372 O LYS A 150 50.892 2.204 8.276 1.00 0.10 O ATOM 373 CB LYS A 150 52.201 0.655 10.637 1.00 0.11 C ATOM 374 CG LYS A 150 52.141 -0.335 11.800 1.00 0.12 C ATOM 375 CD LYS A 150 52.887 0.242 13.004 1.00 0.18 C ATOM 376 CE LYS A 150 52.945 -0.804 14.119 1.00 1.24 C ATOM 377 NZ LYS A 150 53.496 -0.182 15.356 1.00 1.87 N ATOM 0 H LYS A 150 52.428 -1.584 9.634 1.00 0.06 H new ATOM 0 HA LYS A 150 50.259 0.188 9.855 1.00 0.08 H new ATOM 0 HB2 LYS A 150 53.226 0.748 10.278 1.00 0.11 H new ATOM 0 HB3 LYS A 150 51.889 1.644 10.972 1.00 0.11 H new ATOM 0 HG2 LYS A 150 51.103 -0.537 12.065 1.00 0.12 H new ATOM 0 HG3 LYS A 150 52.586 -1.285 11.505 1.00 0.12 H new ATOM 0 HD2 LYS A 150 53.896 0.535 12.713 1.00 0.18 H new ATOM 0 HD3 LYS A 150 52.384 1.141 13.360 1.00 0.18 H new ATOM 0 HE2 LYS A 150 51.948 -1.201 14.312 1.00 1.24 H new ATOM 0 HE3 LYS A 150 53.569 -1.644 13.812 1.00 1.24 H new ATOM 0 HZ1 LYS A 150 53.536 -0.893 16.114 1.00 1.87 H new ATOM 0 HZ2 LYS A 150 54.454 0.177 15.167 1.00 1.87 H new ATOM 0 HZ3 LYS A 150 52.884 0.605 15.651 1.00 1.87 H new ATOM 391 N THR A 151 52.177 0.643 7.285 1.00 0.08 N ATOM 392 CA THR A 151 52.419 1.423 6.075 1.00 0.11 C ATOM 393 C THR A 151 51.095 1.821 5.404 1.00 0.10 C ATOM 394 O THR A 151 51.018 2.805 4.655 1.00 0.11 O ATOM 395 CB THR A 151 53.261 0.571 5.115 1.00 0.15 C ATOM 396 OG1 THR A 151 52.532 -0.595 4.759 1.00 0.14 O ATOM 397 CG2 THR A 151 54.566 0.167 5.802 1.00 0.16 C ATOM 0 H THR A 151 52.622 -0.275 7.284 1.00 0.08 H new ATOM 0 HA THR A 151 52.948 2.341 6.333 1.00 0.11 H new ATOM 0 HB THR A 151 53.488 1.148 4.218 1.00 0.15 H new ATOM 0 HG1 THR A 151 53.150 -1.277 4.422 1.00 0.14 H new ATOM 0 HG21 THR A 151 55.164 -0.438 5.120 1.00 0.16 H new ATOM 0 HG22 THR A 151 55.124 1.062 6.078 1.00 0.16 H new ATOM 0 HG23 THR A 151 54.341 -0.411 6.698 1.00 0.16 H new ATOM 405 N SER A 152 50.042 1.065 5.683 1.00 0.06 N ATOM 406 CA SER A 152 48.741 1.341 5.091 1.00 0.06 C ATOM 407 C SER A 152 48.211 2.711 5.490 1.00 0.05 C ATOM 408 O SER A 152 47.285 3.229 4.861 1.00 0.06 O ATOM 409 CB SER A 152 47.757 0.279 5.557 1.00 0.07 C ATOM 410 OG SER A 152 47.864 0.129 6.964 1.00 0.08 O ATOM 0 H SER A 152 50.062 0.261 6.311 1.00 0.06 H new ATOM 0 HA SER A 152 48.854 1.327 4.007 1.00 0.06 H new ATOM 0 HB2 SER A 152 46.740 0.564 5.286 1.00 0.07 H new ATOM 0 HB3 SER A 152 47.965 -0.669 5.061 1.00 0.07 H new ATOM 0 HG SER A 152 48.545 -0.544 7.170 1.00 0.08 H new ATOM 416 N GLU A 153 48.788 3.307 6.525 1.00 0.06 N ATOM 417 CA GLU A 153 48.333 4.616 6.953 1.00 0.08 C ATOM 418 C GLU A 153 48.483 5.613 5.810 1.00 0.08 C ATOM 419 O GLU A 153 47.578 6.405 5.535 1.00 0.09 O ATOM 420 CB GLU A 153 49.152 5.086 8.157 1.00 0.10 C ATOM 421 CG GLU A 153 48.825 4.216 9.374 1.00 0.13 C ATOM 422 CD GLU A 153 49.595 4.702 10.603 1.00 0.29 C ATOM 423 OE1 GLU A 153 50.487 5.523 10.444 1.00 0.14 O ATOM 424 OE2 GLU A 153 49.280 4.245 11.689 1.00 0.79 O ATOM 0 H GLU A 153 49.554 2.913 7.071 1.00 0.06 H new ATOM 0 HA GLU A 153 47.283 4.551 7.239 1.00 0.08 H new ATOM 0 HB2 GLU A 153 50.217 5.026 7.931 1.00 0.10 H new ATOM 0 HB3 GLU A 153 48.930 6.131 8.374 1.00 0.10 H new ATOM 0 HG2 GLU A 153 47.754 4.247 9.573 1.00 0.13 H new ATOM 0 HG3 GLU A 153 49.080 3.177 9.165 1.00 0.13 H new ATOM 431 N MET A 154 49.616 5.550 5.119 1.00 0.09 N ATOM 432 CA MET A 154 49.864 6.493 4.046 1.00 0.10 C ATOM 433 C MET A 154 48.897 6.292 2.903 1.00 0.09 C ATOM 434 O MET A 154 48.531 7.253 2.227 1.00 0.10 O ATOM 435 CB MET A 154 51.281 6.380 3.502 1.00 0.11 C ATOM 436 CG MET A 154 52.267 6.807 4.577 1.00 0.11 C ATOM 437 SD MET A 154 53.935 6.854 3.879 1.00 0.13 S ATOM 438 CE MET A 154 54.026 5.114 3.390 1.00 0.12 C ATOM 0 H MET A 154 50.359 4.870 5.280 1.00 0.09 H new ATOM 0 HA MET A 154 49.726 7.484 4.478 1.00 0.10 H new ATOM 0 HB2 MET A 154 51.484 5.355 3.193 1.00 0.11 H new ATOM 0 HB3 MET A 154 51.395 7.008 2.618 1.00 0.11 H new ATOM 0 HG2 MET A 154 51.996 7.789 4.965 1.00 0.11 H new ATOM 0 HG3 MET A 154 52.231 6.111 5.416 1.00 0.11 H new ATOM 0 HE1 MET A 154 55.070 4.816 3.298 1.00 0.12 H new ATOM 0 HE2 MET A 154 53.538 4.498 4.145 1.00 0.12 H new ATOM 0 HE3 MET A 154 53.525 4.979 2.432 1.00 0.12 H new ATOM 448 N MET A 155 48.471 5.052 2.662 1.00 0.08 N ATOM 449 CA MET A 155 47.561 4.789 1.554 1.00 0.08 C ATOM 450 C MET A 155 46.200 5.451 1.758 1.00 0.08 C ATOM 451 O MET A 155 45.602 5.950 0.805 1.00 0.10 O ATOM 452 CB MET A 155 47.345 3.274 1.415 1.00 0.08 C ATOM 453 CG MET A 155 48.691 2.531 1.367 1.00 0.08 C ATOM 454 SD MET A 155 49.712 3.158 0.009 1.00 0.10 S ATOM 455 CE MET A 155 51.298 2.527 0.608 1.00 0.08 C ATOM 0 H MET A 155 48.736 4.232 3.207 1.00 0.08 H new ATOM 0 HA MET A 155 48.017 5.205 0.656 1.00 0.08 H new ATOM 0 HB2 MET A 155 46.753 2.908 2.254 1.00 0.08 H new ATOM 0 HB3 MET A 155 46.777 3.065 0.509 1.00 0.08 H new ATOM 0 HG2 MET A 155 49.217 2.657 2.313 1.00 0.08 H new ATOM 0 HG3 MET A 155 48.519 1.462 1.238 1.00 0.08 H new ATOM 0 HE1 MET A 155 52.041 2.597 -0.187 1.00 0.08 H new ATOM 0 HE2 MET A 155 51.625 3.118 1.464 1.00 0.08 H new ATOM 0 HE3 MET A 155 51.185 1.485 0.908 1.00 0.08 H new ATOM 465 N LYS A 156 45.707 5.457 2.996 1.00 0.08 N ATOM 466 CA LYS A 156 44.383 6.002 3.265 1.00 0.09 C ATOM 467 C LYS A 156 44.353 7.515 3.468 1.00 0.10 C ATOM 468 O LYS A 156 43.280 8.114 3.378 1.00 0.11 O ATOM 469 CB LYS A 156 43.826 5.330 4.519 1.00 0.10 C ATOM 470 CG LYS A 156 43.630 3.836 4.254 1.00 0.13 C ATOM 471 CD LYS A 156 42.975 3.182 5.472 1.00 0.18 C ATOM 472 CE LYS A 156 42.894 1.669 5.257 1.00 1.14 C ATOM 473 NZ LYS A 156 41.679 1.135 5.936 1.00 1.61 N ATOM 0 H LYS A 156 46.197 5.096 3.814 1.00 0.08 H new ATOM 0 HA LYS A 156 43.780 5.798 2.380 1.00 0.09 H new ATOM 0 HB2 LYS A 156 44.509 5.475 5.356 1.00 0.10 H new ATOM 0 HB3 LYS A 156 42.877 5.788 4.799 1.00 0.10 H new ATOM 0 HG2 LYS A 156 43.007 3.691 3.371 1.00 0.13 H new ATOM 0 HG3 LYS A 156 44.590 3.364 4.047 1.00 0.13 H new ATOM 0 HD2 LYS A 156 43.552 3.402 6.370 1.00 0.18 H new ATOM 0 HD3 LYS A 156 41.977 3.592 5.626 1.00 0.18 H new ATOM 0 HE2 LYS A 156 42.857 1.444 4.191 1.00 1.14 H new ATOM 0 HE3 LYS A 156 43.787 1.186 5.654 1.00 1.14 H new ATOM 0 HZ1 LYS A 156 41.623 0.107 5.790 1.00 1.61 H new ATOM 0 HZ2 LYS A 156 41.733 1.338 6.955 1.00 1.61 H new ATOM 0 HZ3 LYS A 156 40.832 1.587 5.538 1.00 1.61 H new ATOM 487 N ASP A 157 45.494 8.149 3.737 1.00 0.09 N ATOM 488 CA ASP A 157 45.476 9.597 3.960 1.00 0.11 C ATOM 489 C ASP A 157 46.333 10.390 2.957 1.00 0.10 C ATOM 490 O ASP A 157 45.791 11.062 2.081 1.00 0.10 O ATOM 491 CB ASP A 157 45.927 9.898 5.395 1.00 0.13 C ATOM 492 CG ASP A 157 44.732 10.308 6.251 1.00 0.15 C ATOM 493 OD1 ASP A 157 44.212 11.389 6.028 1.00 0.96 O ATOM 494 OD2 ASP A 157 44.355 9.535 7.116 1.00 0.96 O ATOM 0 H ASP A 157 46.410 7.706 3.805 1.00 0.09 H new ATOM 0 HA ASP A 157 44.449 9.927 3.803 1.00 0.11 H new ATOM 0 HB2 ASP A 157 46.406 9.018 5.825 1.00 0.13 H new ATOM 0 HB3 ASP A 157 46.670 10.695 5.390 1.00 0.13 H new ATOM 499 N PRO A 158 47.640 10.332 3.058 1.00 0.09 N ATOM 500 CA PRO A 158 48.532 11.175 2.198 1.00 0.09 C ATOM 501 C PRO A 158 48.473 10.877 0.700 1.00 0.07 C ATOM 502 O PRO A 158 48.415 9.728 0.256 1.00 0.06 O ATOM 503 CB PRO A 158 49.939 10.912 2.737 1.00 0.09 C ATOM 504 CG PRO A 158 49.854 9.605 3.438 1.00 0.10 C ATOM 505 CD PRO A 158 48.429 9.500 3.979 1.00 0.10 C ATOM 0 HA PRO A 158 48.212 12.215 2.258 1.00 0.09 H new ATOM 0 HB2 PRO A 158 50.669 10.878 1.929 1.00 0.09 H new ATOM 0 HB3 PRO A 158 50.253 11.703 3.417 1.00 0.09 H new ATOM 0 HG2 PRO A 158 50.072 8.783 2.756 1.00 0.10 H new ATOM 0 HG3 PRO A 158 50.582 9.550 4.247 1.00 0.10 H new ATOM 0 HD2 PRO A 158 48.079 8.468 3.985 1.00 0.10 H new ATOM 0 HD3 PRO A 158 48.363 9.865 5.004 1.00 0.10 H new ATOM 513 N GLN A 159 48.507 11.965 -0.060 1.00 0.07 N ATOM 514 CA GLN A 159 48.485 11.929 -1.518 1.00 0.07 C ATOM 515 C GLN A 159 49.770 11.310 -2.060 1.00 0.06 C ATOM 516 O GLN A 159 49.839 10.902 -3.226 1.00 0.06 O ATOM 517 CB GLN A 159 48.311 13.337 -2.082 1.00 0.07 C ATOM 518 CG GLN A 159 46.859 13.781 -1.905 1.00 0.08 C ATOM 519 CD GLN A 159 45.954 12.983 -2.837 1.00 0.09 C ATOM 520 OE1 GLN A 159 44.950 12.422 -2.399 1.00 0.09 O ATOM 521 NE2 GLN A 159 46.252 12.898 -4.104 1.00 0.10 N ATOM 0 H GLN A 159 48.551 12.909 0.323 1.00 0.07 H new ATOM 0 HA GLN A 159 47.641 11.314 -1.830 1.00 0.07 H new ATOM 0 HB2 GLN A 159 48.979 14.030 -1.571 1.00 0.07 H new ATOM 0 HB3 GLN A 159 48.581 13.353 -3.138 1.00 0.07 H new ATOM 0 HG2 GLN A 159 46.549 13.635 -0.870 1.00 0.08 H new ATOM 0 HG3 GLN A 159 46.767 14.846 -2.118 1.00 0.08 H new ATOM 0 HE21 GLN A 159 47.085 13.364 -4.464 1.00 0.10 H new ATOM 0 HE22 GLN A 159 45.652 12.366 -4.734 1.00 0.10 H new ATOM 530 N LEU A 160 50.792 11.228 -1.212 1.00 0.07 N ATOM 531 CA LEU A 160 52.097 10.737 -1.622 1.00 0.08 C ATOM 532 C LEU A 160 51.994 9.339 -2.205 1.00 0.08 C ATOM 533 O LEU A 160 52.867 8.916 -2.954 1.00 0.08 O ATOM 534 CB LEU A 160 53.026 10.710 -0.407 1.00 0.10 C ATOM 535 CG LEU A 160 54.447 10.334 -0.829 1.00 0.12 C ATOM 536 CD1 LEU A 160 55.067 11.480 -1.630 1.00 0.13 C ATOM 537 CD2 LEU A 160 55.289 10.066 0.424 1.00 0.14 C ATOM 0 H LEU A 160 50.736 11.498 -0.230 1.00 0.07 H new ATOM 0 HA LEU A 160 52.494 11.402 -2.389 1.00 0.08 H new ATOM 0 HB2 LEU A 160 53.030 11.687 0.077 1.00 0.10 H new ATOM 0 HB3 LEU A 160 52.656 9.993 0.326 1.00 0.10 H new ATOM 0 HG LEU A 160 54.419 9.439 -1.450 1.00 0.12 H new ATOM 0 HD11 LEU A 160 56.079 11.209 -1.929 1.00 0.13 H new ATOM 0 HD12 LEU A 160 54.465 11.670 -2.518 1.00 0.13 H new ATOM 0 HD13 LEU A 160 55.099 12.379 -1.014 1.00 0.13 H new ATOM 0 HD21 LEU A 160 56.304 9.797 0.130 1.00 0.14 H new ATOM 0 HD22 LEU A 160 55.316 10.963 1.043 1.00 0.14 H new ATOM 0 HD23 LEU A 160 54.847 9.247 0.991 1.00 0.14 H new ATOM 549 N VAL A 161 50.932 8.616 -1.869 1.00 0.07 N ATOM 550 CA VAL A 161 50.767 7.259 -2.365 1.00 0.07 C ATOM 551 C VAL A 161 50.775 7.237 -3.890 1.00 0.06 C ATOM 552 O VAL A 161 51.494 6.454 -4.501 1.00 0.07 O ATOM 553 CB VAL A 161 49.439 6.705 -1.853 1.00 0.06 C ATOM 554 CG1 VAL A 161 49.273 5.251 -2.301 1.00 0.07 C ATOM 555 CG2 VAL A 161 49.420 6.780 -0.323 1.00 0.08 C ATOM 0 H VAL A 161 50.181 8.944 -1.262 1.00 0.07 H new ATOM 0 HA VAL A 161 51.595 6.646 -2.008 1.00 0.07 H new ATOM 0 HB VAL A 161 48.618 7.295 -2.260 1.00 0.06 H new ATOM 0 HG11 VAL A 161 48.324 4.863 -1.932 1.00 0.07 H new ATOM 0 HG12 VAL A 161 49.287 5.202 -3.390 1.00 0.07 H new ATOM 0 HG13 VAL A 161 50.090 4.651 -1.901 1.00 0.07 H new ATOM 0 HG21 VAL A 161 48.474 6.386 0.049 1.00 0.08 H new ATOM 0 HG22 VAL A 161 50.243 6.190 0.080 1.00 0.08 H new ATOM 0 HG23 VAL A 161 49.529 7.818 -0.008 1.00 0.08 H new ATOM 565 N ALA A 162 49.978 8.108 -4.500 1.00 0.06 N ATOM 566 CA ALA A 162 49.906 8.165 -5.955 1.00 0.06 C ATOM 567 C ALA A 162 51.285 8.489 -6.512 1.00 0.08 C ATOM 568 O ALA A 162 51.803 7.813 -7.404 1.00 0.08 O ATOM 569 CB ALA A 162 48.916 9.257 -6.370 1.00 0.07 C ATOM 0 H ALA A 162 49.379 8.777 -4.016 1.00 0.06 H new ATOM 0 HA ALA A 162 49.571 7.204 -6.346 1.00 0.06 H new ATOM 0 HB1 ALA A 162 48.859 9.303 -7.458 1.00 0.07 H new ATOM 0 HB2 ALA A 162 47.930 9.028 -5.965 1.00 0.07 H new ATOM 0 HB3 ALA A 162 49.252 10.219 -5.984 1.00 0.07 H new ATOM 575 N LYS A 163 51.876 9.530 -5.944 1.00 0.10 N ATOM 576 CA LYS A 163 53.200 9.971 -6.372 1.00 0.11 C ATOM 577 C LYS A 163 54.178 8.793 -6.338 1.00 0.11 C ATOM 578 O LYS A 163 54.918 8.550 -7.293 1.00 0.11 O ATOM 579 CB LYS A 163 53.706 11.089 -5.456 1.00 0.13 C ATOM 580 CG LYS A 163 52.733 12.272 -5.497 1.00 0.13 C ATOM 581 CD LYS A 163 52.709 12.869 -6.906 1.00 0.14 C ATOM 582 CE LYS A 163 51.885 14.158 -6.900 1.00 0.47 C ATOM 583 NZ LYS A 163 51.467 14.487 -8.292 1.00 1.17 N ATOM 0 H LYS A 163 51.466 10.083 -5.191 1.00 0.10 H new ATOM 0 HA LYS A 163 53.131 10.352 -7.391 1.00 0.11 H new ATOM 0 HB2 LYS A 163 53.802 10.720 -4.435 1.00 0.13 H new ATOM 0 HB3 LYS A 163 54.698 11.411 -5.773 1.00 0.13 H new ATOM 0 HG2 LYS A 163 51.733 11.943 -5.213 1.00 0.13 H new ATOM 0 HG3 LYS A 163 53.036 13.030 -4.775 1.00 0.13 H new ATOM 0 HD2 LYS A 163 53.725 13.076 -7.242 1.00 0.14 H new ATOM 0 HD3 LYS A 163 52.280 12.154 -7.608 1.00 0.14 H new ATOM 0 HE2 LYS A 163 51.008 14.038 -6.264 1.00 0.47 H new ATOM 0 HE3 LYS A 163 52.472 14.976 -6.482 1.00 0.47 H new ATOM 0 HZ1 LYS A 163 50.907 15.363 -8.288 1.00 1.17 H new ATOM 0 HZ2 LYS A 163 52.311 14.618 -8.886 1.00 1.17 H new ATOM 0 HZ3 LYS A 163 50.891 13.710 -8.675 1.00 1.17 H new ATOM 597 N LEU A 164 54.150 8.048 -5.241 1.00 0.11 N ATOM 598 CA LEU A 164 55.048 6.916 -5.066 1.00 0.11 C ATOM 599 C LEU A 164 54.801 5.833 -6.111 1.00 0.11 C ATOM 600 O LEU A 164 55.741 5.212 -6.590 1.00 0.15 O ATOM 601 CB LEU A 164 54.850 6.317 -3.674 1.00 0.11 C ATOM 602 CG LEU A 164 55.553 7.192 -2.636 1.00 0.09 C ATOM 603 CD1 LEU A 164 55.151 6.740 -1.231 1.00 0.10 C ATOM 604 CD2 LEU A 164 57.069 7.049 -2.800 1.00 0.10 C ATOM 0 H LEU A 164 53.515 8.208 -4.459 1.00 0.11 H new ATOM 0 HA LEU A 164 56.068 7.280 -5.184 1.00 0.11 H new ATOM 0 HB2 LEU A 164 53.787 6.246 -3.445 1.00 0.11 H new ATOM 0 HB3 LEU A 164 55.251 5.304 -3.642 1.00 0.11 H new ATOM 0 HG LEU A 164 55.264 8.233 -2.779 1.00 0.09 H new ATOM 0 HD11 LEU A 164 55.652 7.364 -0.491 1.00 0.10 H new ATOM 0 HD12 LEU A 164 54.071 6.834 -1.114 1.00 0.10 H new ATOM 0 HD13 LEU A 164 55.443 5.700 -1.086 1.00 0.10 H new ATOM 0 HD21 LEU A 164 57.575 7.671 -2.062 1.00 0.10 H new ATOM 0 HD22 LEU A 164 57.354 6.007 -2.653 1.00 0.10 H new ATOM 0 HD23 LEU A 164 57.358 7.367 -3.802 1.00 0.10 H new ATOM 616 N ILE A 165 53.532 5.622 -6.469 1.00 0.10 N ATOM 617 CA ILE A 165 53.177 4.574 -7.428 1.00 0.09 C ATOM 618 C ILE A 165 53.971 4.737 -8.722 1.00 0.08 C ATOM 619 O ILE A 165 54.464 3.754 -9.288 1.00 0.08 O ATOM 620 CB ILE A 165 51.662 4.575 -7.690 1.00 0.08 C ATOM 621 CG1 ILE A 165 50.954 4.059 -6.433 1.00 0.06 C ATOM 622 CG2 ILE A 165 51.322 3.652 -8.870 1.00 0.10 C ATOM 623 CD1 ILE A 165 49.439 4.223 -6.570 1.00 0.06 C ATOM 0 H ILE A 165 52.740 6.157 -6.113 1.00 0.10 H new ATOM 0 HA ILE A 165 53.439 3.606 -7.001 1.00 0.09 H new ATOM 0 HB ILE A 165 51.336 5.587 -7.930 1.00 0.08 H new ATOM 0 HG12 ILE A 165 51.200 3.009 -6.274 1.00 0.06 H new ATOM 0 HG13 ILE A 165 51.308 4.605 -5.558 1.00 0.06 H new ATOM 0 HG21 ILE A 165 50.246 3.664 -9.043 1.00 0.10 H new ATOM 0 HG22 ILE A 165 51.837 4.001 -9.765 1.00 0.10 H new ATOM 0 HG23 ILE A 165 51.642 2.635 -8.641 1.00 0.10 H new ATOM 0 HD11 ILE A 165 48.950 3.852 -5.669 1.00 0.06 H new ATOM 0 HD12 ILE A 165 49.198 5.277 -6.706 1.00 0.06 H new ATOM 0 HD13 ILE A 165 49.088 3.657 -7.433 1.00 0.06 H new ATOM 635 N GLY A 166 54.114 5.969 -9.191 1.00 0.08 N ATOM 636 CA GLY A 166 54.869 6.190 -10.413 1.00 0.08 C ATOM 637 C GLY A 166 56.329 5.885 -10.130 1.00 0.07 C ATOM 638 O GLY A 166 57.025 5.234 -10.917 1.00 0.08 O ATOM 0 H GLY A 166 53.729 6.808 -8.758 1.00 0.08 H new ATOM 0 HA2 GLY A 166 54.495 5.550 -11.212 1.00 0.08 H new ATOM 0 HA3 GLY A 166 54.754 7.220 -10.750 1.00 0.08 H new ATOM 642 N TYR A 167 56.774 6.374 -8.981 1.00 0.08 N ATOM 643 CA TYR A 167 58.137 6.182 -8.516 1.00 0.09 C ATOM 644 C TYR A 167 58.491 4.699 -8.324 1.00 0.08 C ATOM 645 O TYR A 167 59.660 4.341 -8.333 1.00 0.07 O ATOM 646 CB TYR A 167 58.292 7.001 -7.226 1.00 0.10 C ATOM 647 CG TYR A 167 59.680 7.113 -6.655 1.00 0.09 C ATOM 648 CD1 TYR A 167 60.665 7.866 -7.330 1.00 0.10 C ATOM 649 CD2 TYR A 167 59.962 6.551 -5.394 1.00 0.08 C ATOM 650 CE1 TYR A 167 61.939 8.039 -6.754 1.00 0.09 C ATOM 651 CE2 TYR A 167 61.237 6.721 -4.819 1.00 0.07 C ATOM 652 CZ TYR A 167 62.228 7.464 -5.500 1.00 0.08 C ATOM 653 OH TYR A 167 63.479 7.630 -4.941 1.00 0.08 O ATOM 0 H TYR A 167 56.194 6.918 -8.342 1.00 0.08 H new ATOM 0 HA TYR A 167 58.845 6.531 -9.268 1.00 0.09 H new ATOM 0 HB2 TYR A 167 57.921 8.008 -7.417 1.00 0.10 H new ATOM 0 HB3 TYR A 167 57.646 6.562 -6.465 1.00 0.10 H new ATOM 0 HD1 TYR A 167 60.442 8.310 -8.289 1.00 0.10 H new ATOM 0 HD2 TYR A 167 59.202 5.991 -4.869 1.00 0.08 H new ATOM 0 HE1 TYR A 167 62.694 8.612 -7.273 1.00 0.09 H new ATOM 0 HE2 TYR A 167 61.457 6.283 -3.857 1.00 0.07 H new ATOM 0 HH TYR A 167 63.728 8.577 -4.973 1.00 0.08 H new ATOM 663 N LYS A 168 57.493 3.840 -8.129 1.00 0.08 N ATOM 664 CA LYS A 168 57.771 2.400 -7.994 1.00 0.09 C ATOM 665 C LYS A 168 58.101 1.747 -9.349 1.00 0.08 C ATOM 666 O LYS A 168 58.927 0.838 -9.423 1.00 0.10 O ATOM 667 CB LYS A 168 56.574 1.629 -7.385 1.00 0.12 C ATOM 668 CG LYS A 168 55.789 2.504 -6.402 1.00 0.21 C ATOM 669 CD LYS A 168 54.765 1.665 -5.610 1.00 0.27 C ATOM 670 CE LYS A 168 53.880 0.827 -6.545 1.00 0.22 C ATOM 671 NZ LYS A 168 52.523 0.687 -5.948 1.00 1.14 N ATOM 0 H LYS A 168 56.509 4.099 -8.061 1.00 0.08 H new ATOM 0 HA LYS A 168 58.632 2.336 -7.328 1.00 0.09 H new ATOM 0 HB2 LYS A 168 55.912 1.292 -8.183 1.00 0.12 H new ATOM 0 HB3 LYS A 168 56.936 0.738 -6.873 1.00 0.12 H new ATOM 0 HG2 LYS A 168 56.478 2.989 -5.711 1.00 0.21 H new ATOM 0 HG3 LYS A 168 55.273 3.295 -6.946 1.00 0.21 H new ATOM 0 HD2 LYS A 168 55.290 1.007 -4.918 1.00 0.27 H new ATOM 0 HD3 LYS A 168 54.139 2.325 -5.010 1.00 0.27 H new ATOM 0 HE2 LYS A 168 53.812 1.304 -7.523 1.00 0.22 H new ATOM 0 HE3 LYS A 168 54.324 -0.156 -6.700 1.00 0.22 H new ATOM 0 HZ1 LYS A 168 51.812 0.651 -6.706 1.00 1.14 H new ATOM 0 HZ2 LYS A 168 52.478 -0.189 -5.389 1.00 1.14 H new ATOM 0 HZ3 LYS A 168 52.330 1.501 -5.331 1.00 1.14 H new ATOM 685 N GLN A 169 57.447 2.222 -10.412 1.00 0.08 N ATOM 686 CA GLN A 169 57.593 1.608 -11.742 1.00 0.09 C ATOM 687 C GLN A 169 58.913 1.886 -12.497 1.00 0.11 C ATOM 688 O GLN A 169 59.559 0.953 -12.975 1.00 0.12 O ATOM 689 CB GLN A 169 56.430 2.062 -12.624 1.00 0.09 C ATOM 690 CG GLN A 169 55.116 1.518 -12.058 1.00 0.09 C ATOM 691 CD GLN A 169 53.941 2.002 -12.902 1.00 0.11 C ATOM 692 OE1 GLN A 169 54.067 2.972 -13.649 1.00 1.02 O ATOM 693 NE2 GLN A 169 52.797 1.378 -12.827 1.00 0.98 N ATOM 0 H GLN A 169 56.816 3.023 -10.383 1.00 0.08 H new ATOM 0 HA GLN A 169 57.600 0.535 -11.548 1.00 0.09 H new ATOM 0 HB2 GLN A 169 56.396 3.151 -12.667 1.00 0.09 H new ATOM 0 HB3 GLN A 169 56.573 1.707 -13.644 1.00 0.09 H new ATOM 0 HG2 GLN A 169 55.140 0.428 -12.045 1.00 0.09 H new ATOM 0 HG3 GLN A 169 54.992 1.846 -11.026 1.00 0.09 H new ATOM 0 HE21 GLN A 169 52.694 0.574 -12.207 1.00 0.98 H new ATOM 0 HE22 GLN A 169 52.006 1.694 -13.388 1.00 0.98 H new ATOM 702 N ASN A 170 59.309 3.156 -12.602 1.00 0.10 N ATOM 703 CA ASN A 170 60.506 3.497 -13.413 1.00 0.12 C ATOM 704 C ASN A 170 61.791 3.939 -12.682 1.00 0.11 C ATOM 705 O ASN A 170 62.885 3.683 -13.187 1.00 0.13 O ATOM 706 CB ASN A 170 60.122 4.598 -14.401 1.00 0.14 C ATOM 707 CG ASN A 170 61.076 4.588 -15.590 1.00 0.17 C ATOM 708 OD1 ASN A 170 61.569 3.531 -15.983 1.00 1.03 O ATOM 709 ND2 ASN A 170 61.367 5.710 -16.190 1.00 1.06 N ATOM 0 H ASN A 170 58.846 3.949 -12.158 1.00 0.10 H new ATOM 0 HA ASN A 170 60.780 2.546 -13.870 1.00 0.12 H new ATOM 0 HB2 ASN A 170 59.098 4.449 -14.744 1.00 0.14 H new ATOM 0 HB3 ASN A 170 60.154 5.569 -13.907 1.00 0.14 H new ATOM 0 HD21 ASN A 170 62.004 5.712 -16.986 1.00 1.06 H new ATOM 0 HD22 ASN A 170 60.957 6.585 -15.862 1.00 1.06 H new ATOM 716 N PRO A 171 61.722 4.573 -11.551 1.00 0.09 N ATOM 717 CA PRO A 171 62.929 5.146 -10.893 1.00 0.08 C ATOM 718 C PRO A 171 63.550 4.334 -9.750 1.00 0.07 C ATOM 719 O PRO A 171 63.125 4.404 -8.599 1.00 0.07 O ATOM 720 CB PRO A 171 62.390 6.458 -10.357 1.00 0.09 C ATOM 721 CG PRO A 171 60.983 6.152 -9.968 1.00 0.08 C ATOM 722 CD PRO A 171 60.530 4.929 -10.796 1.00 0.08 C ATOM 0 HA PRO A 171 63.753 5.199 -11.605 1.00 0.08 H new ATOM 0 HB2 PRO A 171 62.971 6.807 -9.503 1.00 0.09 H new ATOM 0 HB3 PRO A 171 62.431 7.243 -11.113 1.00 0.09 H new ATOM 0 HG2 PRO A 171 60.918 5.939 -8.901 1.00 0.08 H new ATOM 0 HG3 PRO A 171 60.336 7.008 -10.162 1.00 0.08 H new ATOM 0 HD2 PRO A 171 60.200 4.110 -10.156 1.00 0.08 H new ATOM 0 HD3 PRO A 171 59.696 5.175 -11.454 1.00 0.08 H new ATOM 730 N GLN A 172 64.582 3.565 -10.106 1.00 0.09 N ATOM 731 CA GLN A 172 65.356 2.767 -9.140 1.00 0.09 C ATOM 732 C GLN A 172 65.845 3.653 -7.968 1.00 0.08 C ATOM 733 O GLN A 172 66.309 3.156 -6.939 1.00 0.09 O ATOM 734 CB GLN A 172 66.557 2.118 -9.834 1.00 0.12 C ATOM 735 CG GLN A 172 66.069 1.192 -10.952 1.00 0.13 C ATOM 736 CD GLN A 172 65.239 0.053 -10.367 1.00 0.14 C ATOM 737 OE1 GLN A 172 65.662 -0.598 -9.412 1.00 0.71 O ATOM 738 NE2 GLN A 172 64.074 -0.226 -10.885 1.00 0.76 N ATOM 0 H GLN A 172 64.907 3.475 -11.069 1.00 0.09 H new ATOM 0 HA GLN A 172 64.707 1.987 -8.742 1.00 0.09 H new ATOM 0 HB2 GLN A 172 67.211 2.887 -10.245 1.00 0.12 H new ATOM 0 HB3 GLN A 172 67.145 1.553 -9.111 1.00 0.12 H new ATOM 0 HG2 GLN A 172 65.472 1.757 -11.668 1.00 0.13 H new ATOM 0 HG3 GLN A 172 66.922 0.788 -11.498 1.00 0.13 H new ATOM 0 HE21 GLN A 172 63.725 0.315 -11.676 1.00 0.76 H new ATOM 0 HE22 GLN A 172 63.512 -0.985 -10.498 1.00 0.76 H new ATOM 747 N ALA A 173 65.720 4.970 -8.150 1.00 0.08 N ATOM 748 CA ALA A 173 66.146 5.975 -7.181 1.00 0.08 C ATOM 749 C ALA A 173 65.473 5.786 -5.809 1.00 0.07 C ATOM 750 O ALA A 173 65.821 6.478 -4.854 1.00 0.08 O ATOM 751 CB ALA A 173 65.804 7.366 -7.714 1.00 0.09 C ATOM 0 H ALA A 173 65.311 5.373 -8.993 1.00 0.08 H new ATOM 0 HA ALA A 173 67.222 5.863 -7.044 1.00 0.08 H new ATOM 0 HB1 ALA A 173 66.121 8.120 -6.993 1.00 0.09 H new ATOM 0 HB2 ALA A 173 66.319 7.530 -8.660 1.00 0.09 H new ATOM 0 HB3 ALA A 173 64.728 7.442 -7.869 1.00 0.09 H new ATOM 757 N ILE A 174 64.523 4.852 -5.702 1.00 0.06 N ATOM 758 CA ILE A 174 63.783 4.676 -4.453 1.00 0.07 C ATOM 759 C ILE A 174 64.725 4.325 -3.307 1.00 0.08 C ATOM 760 O ILE A 174 64.457 4.648 -2.151 1.00 0.11 O ATOM 761 CB ILE A 174 62.758 3.552 -4.585 1.00 0.06 C ATOM 762 CG1 ILE A 174 61.913 3.778 -5.854 1.00 0.06 C ATOM 763 CG2 ILE A 174 61.879 3.531 -3.324 1.00 0.08 C ATOM 764 CD1 ILE A 174 60.719 2.827 -5.901 1.00 0.07 C ATOM 0 H ILE A 174 64.253 4.217 -6.453 1.00 0.06 H new ATOM 0 HA ILE A 174 63.278 5.619 -4.243 1.00 0.07 H new ATOM 0 HB ILE A 174 63.256 2.587 -4.678 1.00 0.06 H new ATOM 0 HG12 ILE A 174 61.561 4.809 -5.880 1.00 0.06 H new ATOM 0 HG13 ILE A 174 62.533 3.630 -6.738 1.00 0.06 H new ATOM 0 HG21 ILE A 174 61.143 2.732 -3.407 1.00 0.08 H new ATOM 0 HG22 ILE A 174 62.504 3.359 -2.448 1.00 0.08 H new ATOM 0 HG23 ILE A 174 61.366 4.487 -3.222 1.00 0.08 H new ATOM 0 HD11 ILE A 174 60.143 3.011 -6.808 1.00 0.07 H new ATOM 0 HD12 ILE A 174 61.074 1.797 -5.900 1.00 0.07 H new ATOM 0 HD13 ILE A 174 60.087 2.994 -5.029 1.00 0.07 H new ATOM 776 N GLY A 175 65.829 3.663 -3.636 1.00 0.09 N ATOM 777 CA GLY A 175 66.789 3.250 -2.620 1.00 0.12 C ATOM 778 C GLY A 175 67.262 4.446 -1.796 1.00 0.12 C ATOM 779 O GLY A 175 67.530 4.322 -0.600 1.00 0.13 O ATOM 0 H GLY A 175 66.080 3.403 -4.590 1.00 0.09 H new ATOM 0 HA2 GLY A 175 66.333 2.509 -1.963 1.00 0.12 H new ATOM 0 HA3 GLY A 175 67.644 2.771 -3.096 1.00 0.12 H new ATOM 783 N GLN A 176 67.362 5.601 -2.444 1.00 0.11 N ATOM 784 CA GLN A 176 67.816 6.811 -1.771 1.00 0.12 C ATOM 785 C GLN A 176 66.668 7.568 -1.107 1.00 0.13 C ATOM 786 O GLN A 176 66.895 8.382 -0.212 1.00 0.16 O ATOM 787 CB GLN A 176 68.511 7.731 -2.777 1.00 0.13 C ATOM 788 CG GLN A 176 69.748 7.029 -3.341 1.00 0.13 C ATOM 789 CD GLN A 176 70.425 7.916 -4.382 1.00 1.08 C ATOM 790 OE1 GLN A 176 69.810 8.846 -4.903 1.00 1.93 O ATOM 791 NE2 GLN A 176 71.664 7.681 -4.718 1.00 1.60 N ATOM 0 H GLN A 176 67.136 5.724 -3.431 1.00 0.11 H new ATOM 0 HA GLN A 176 68.512 6.507 -0.989 1.00 0.12 H new ATOM 0 HB2 GLN A 176 67.826 7.988 -3.585 1.00 0.13 H new ATOM 0 HB3 GLN A 176 68.798 8.665 -2.294 1.00 0.13 H new ATOM 0 HG2 GLN A 176 70.446 6.803 -2.535 1.00 0.13 H new ATOM 0 HG3 GLN A 176 69.463 6.079 -3.792 1.00 0.13 H new ATOM 0 HE21 GLN A 176 72.172 6.910 -4.285 1.00 1.60 H new ATOM 0 HE22 GLN A 176 72.124 8.269 -5.413 1.00 1.60 H new ATOM 800 N ASP A 177 65.439 7.302 -1.541 1.00 0.11 N ATOM 801 CA ASP A 177 64.297 8.011 -0.981 1.00 0.11 C ATOM 802 C ASP A 177 63.818 7.388 0.325 1.00 0.10 C ATOM 803 O ASP A 177 63.177 8.068 1.125 1.00 0.10 O ATOM 804 CB ASP A 177 63.144 8.098 -1.985 1.00 0.10 C ATOM 805 CG ASP A 177 63.269 9.372 -2.829 1.00 0.12 C ATOM 806 OD1 ASP A 177 64.097 10.208 -2.501 1.00 0.13 O ATOM 807 OD2 ASP A 177 62.508 9.511 -3.770 1.00 0.12 O ATOM 0 H ASP A 177 65.213 6.617 -2.262 1.00 0.11 H new ATOM 0 HA ASP A 177 64.638 9.022 -0.760 1.00 0.11 H new ATOM 0 HB2 ASP A 177 63.150 7.222 -2.633 1.00 0.10 H new ATOM 0 HB3 ASP A 177 62.191 8.096 -1.456 1.00 0.10 H new ATOM 812 N LEU A 178 64.113 6.105 0.563 1.00 0.09 N ATOM 813 CA LEU A 178 63.693 5.484 1.822 1.00 0.08 C ATOM 814 C LEU A 178 64.195 6.339 2.988 1.00 0.10 C ATOM 815 O LEU A 178 63.517 6.507 4.002 1.00 0.11 O ATOM 816 CB LEU A 178 64.275 4.071 1.955 1.00 0.08 C ATOM 817 CG LEU A 178 63.909 3.189 0.754 1.00 0.07 C ATOM 818 CD1 LEU A 178 64.637 1.852 0.892 1.00 0.09 C ATOM 819 CD2 LEU A 178 62.402 2.919 0.732 1.00 0.06 C ATOM 0 H LEU A 178 64.623 5.495 -0.076 1.00 0.09 H new ATOM 0 HA LEU A 178 62.605 5.417 1.834 1.00 0.08 H new ATOM 0 HB2 LEU A 178 65.360 4.132 2.044 1.00 0.08 H new ATOM 0 HB3 LEU A 178 63.905 3.610 2.871 1.00 0.08 H new ATOM 0 HG LEU A 178 64.197 3.699 -0.165 1.00 0.07 H new ATOM 0 HD11 LEU A 178 64.387 1.213 0.045 1.00 0.09 H new ATOM 0 HD12 LEU A 178 65.713 2.024 0.912 1.00 0.09 H new ATOM 0 HD13 LEU A 178 64.330 1.365 1.817 1.00 0.09 H new ATOM 0 HD21 LEU A 178 62.157 2.292 -0.125 1.00 0.06 H new ATOM 0 HD22 LEU A 178 62.110 2.408 1.650 1.00 0.06 H new ATOM 0 HD23 LEU A 178 61.864 3.864 0.656 1.00 0.06 H new ATOM 831 N PHE A 179 65.400 6.870 2.812 1.00 0.13 N ATOM 832 CA PHE A 179 66.012 7.740 3.807 1.00 0.15 C ATOM 833 C PHE A 179 65.108 8.943 4.087 1.00 0.15 C ATOM 834 O PHE A 179 65.058 9.450 5.207 1.00 0.16 O ATOM 835 CB PHE A 179 67.369 8.222 3.299 1.00 0.19 C ATOM 836 CG PHE A 179 68.387 7.115 3.155 1.00 0.22 C ATOM 837 CD1 PHE A 179 69.143 6.703 4.272 1.00 0.26 C ATOM 838 CD2 PHE A 179 68.582 6.495 1.902 1.00 0.26 C ATOM 839 CE1 PHE A 179 70.095 5.670 4.137 1.00 0.32 C ATOM 840 CE2 PHE A 179 69.534 5.462 1.767 1.00 0.31 C ATOM 841 CZ PHE A 179 70.291 5.049 2.885 1.00 0.34 C ATOM 0 H PHE A 179 65.974 6.711 1.984 1.00 0.13 H new ATOM 0 HA PHE A 179 66.148 7.180 4.732 1.00 0.15 H new ATOM 0 HB2 PHE A 179 67.234 8.709 2.333 1.00 0.19 H new ATOM 0 HB3 PHE A 179 67.758 8.975 3.984 1.00 0.19 H new ATOM 0 HD1 PHE A 179 68.993 7.178 5.230 1.00 0.26 H new ATOM 0 HD2 PHE A 179 68.003 6.811 1.047 1.00 0.26 H new ATOM 0 HE1 PHE A 179 70.674 5.355 4.992 1.00 0.32 H new ATOM 0 HE2 PHE A 179 69.684 4.987 0.808 1.00 0.31 H new ATOM 0 HZ PHE A 179 71.020 4.258 2.782 1.00 0.34 H new ATOM 851 N THR A 180 64.397 9.389 3.053 1.00 0.15 N ATOM 852 CA THR A 180 63.491 10.531 3.187 1.00 0.17 C ATOM 853 C THR A 180 62.098 10.073 3.623 1.00 0.14 C ATOM 854 O THR A 180 61.364 10.819 4.272 1.00 0.14 O ATOM 855 CB THR A 180 63.390 11.285 1.857 1.00 0.20 C ATOM 856 OG1 THR A 180 62.712 10.479 0.905 1.00 0.19 O ATOM 857 CG2 THR A 180 64.793 11.615 1.344 1.00 0.22 C ATOM 0 H THR A 180 64.429 8.981 2.119 1.00 0.15 H new ATOM 0 HA THR A 180 63.896 11.196 3.950 1.00 0.17 H new ATOM 0 HB THR A 180 62.835 12.211 2.008 1.00 0.20 H new ATOM 0 HG1 THR A 180 63.163 9.612 0.829 1.00 0.19 H new ATOM 0 HG21 THR A 180 64.718 12.151 0.398 1.00 0.22 H new ATOM 0 HG22 THR A 180 65.310 12.238 2.074 1.00 0.22 H new ATOM 0 HG23 THR A 180 65.352 10.691 1.194 1.00 0.22 H new ATOM 865 N ASP A 181 61.743 8.843 3.262 1.00 0.13 N ATOM 866 CA ASP A 181 60.436 8.299 3.621 1.00 0.12 C ATOM 867 C ASP A 181 60.578 7.223 4.700 1.00 0.10 C ATOM 868 O ASP A 181 61.001 6.104 4.411 1.00 0.13 O ATOM 869 CB ASP A 181 59.742 7.707 2.394 1.00 0.15 C ATOM 870 CG ASP A 181 58.223 7.829 2.538 1.00 0.18 C ATOM 871 OD1 ASP A 181 57.770 8.174 3.619 1.00 0.20 O ATOM 872 OD2 ASP A 181 57.533 7.577 1.565 1.00 0.23 O ATOM 0 H ASP A 181 62.335 8.209 2.726 1.00 0.13 H new ATOM 0 HA ASP A 181 59.829 9.116 4.012 1.00 0.12 H new ATOM 0 HB2 ASP A 181 60.072 8.226 1.494 1.00 0.15 H new ATOM 0 HB3 ASP A 181 60.021 6.660 2.279 1.00 0.15 H new ATOM 877 N PRO A 182 60.236 7.533 5.928 1.00 0.09 N ATOM 878 CA PRO A 182 60.359 6.553 7.050 1.00 0.10 C ATOM 879 C PRO A 182 59.450 5.333 6.885 1.00 0.09 C ATOM 880 O PRO A 182 59.892 4.197 7.055 1.00 0.09 O ATOM 881 CB PRO A 182 59.965 7.348 8.303 1.00 0.14 C ATOM 882 CG PRO A 182 59.986 8.785 7.904 1.00 0.47 C ATOM 883 CD PRO A 182 59.707 8.820 6.407 1.00 0.15 C ATOM 0 HA PRO A 182 61.369 6.146 7.096 1.00 0.10 H new ATOM 0 HB2 PRO A 182 58.976 7.056 8.655 1.00 0.14 H new ATOM 0 HB3 PRO A 182 60.662 7.160 9.119 1.00 0.14 H new ATOM 0 HG2 PRO A 182 59.233 9.351 8.453 1.00 0.47 H new ATOM 0 HG3 PRO A 182 60.952 9.237 8.130 1.00 0.47 H new ATOM 0 HD2 PRO A 182 58.641 8.918 6.200 1.00 0.15 H new ATOM 0 HD3 PRO A 182 60.204 9.662 5.926 1.00 0.15 H new ATOM 891 N ARG A 183 58.181 5.568 6.554 1.00 0.09 N ATOM 892 CA ARG A 183 57.229 4.470 6.400 1.00 0.09 C ATOM 893 C ARG A 183 57.618 3.521 5.269 1.00 0.09 C ATOM 894 O ARG A 183 57.418 2.314 5.386 1.00 0.09 O ATOM 895 CB ARG A 183 55.824 5.009 6.143 1.00 0.10 C ATOM 896 CG ARG A 183 55.404 5.909 7.306 1.00 0.11 C ATOM 897 CD ARG A 183 53.954 6.332 7.105 1.00 0.11 C ATOM 898 NE ARG A 183 53.292 6.545 8.390 1.00 0.14 N ATOM 899 CZ ARG A 183 53.576 7.587 9.174 1.00 0.20 C ATOM 900 NH1 ARG A 183 54.491 8.459 8.831 1.00 0.22 N ATOM 901 NH2 ARG A 183 52.929 7.736 10.297 1.00 0.24 N ATOM 0 H ARG A 183 57.792 6.496 6.389 1.00 0.09 H new ATOM 0 HA ARG A 183 57.245 3.909 7.334 1.00 0.09 H new ATOM 0 HB2 ARG A 183 55.803 5.570 5.209 1.00 0.10 H new ATOM 0 HB3 ARG A 183 55.120 4.184 6.035 1.00 0.10 H new ATOM 0 HG2 ARG A 183 55.514 5.378 8.252 1.00 0.11 H new ATOM 0 HG3 ARG A 183 56.049 6.786 7.356 1.00 0.11 H new ATOM 0 HD2 ARG A 183 53.916 7.248 6.515 1.00 0.11 H new ATOM 0 HD3 ARG A 183 53.422 5.567 6.540 1.00 0.11 H new ATOM 0 HE ARG A 183 52.588 5.874 8.699 1.00 0.14 H new ATOM 0 HH11 ARG A 183 54.999 8.347 7.953 1.00 0.22 H new ATOM 0 HH12 ARG A 183 54.696 9.250 9.442 1.00 0.22 H new ATOM 0 HH21 ARG A 183 52.215 7.060 10.568 1.00 0.24 H new ATOM 0 HH22 ARG A 183 53.137 8.528 10.904 1.00 0.24 H new ATOM 915 N LEU A 184 58.180 4.047 4.177 1.00 0.09 N ATOM 916 CA LEU A 184 58.565 3.185 3.052 1.00 0.08 C ATOM 917 C LEU A 184 59.406 2.016 3.551 1.00 0.08 C ATOM 918 O LEU A 184 59.305 0.897 3.048 1.00 0.08 O ATOM 919 CB LEU A 184 59.367 3.969 2.007 1.00 0.08 C ATOM 920 CG LEU A 184 58.418 4.656 1.019 1.00 0.08 C ATOM 921 CD1 LEU A 184 59.216 5.612 0.126 1.00 0.09 C ATOM 922 CD2 LEU A 184 57.734 3.599 0.143 1.00 0.08 C ATOM 0 H LEU A 184 58.376 5.040 4.047 1.00 0.09 H new ATOM 0 HA LEU A 184 57.651 2.812 2.589 1.00 0.08 H new ATOM 0 HB2 LEU A 184 59.991 4.714 2.501 1.00 0.08 H new ATOM 0 HB3 LEU A 184 60.037 3.296 1.471 1.00 0.08 H new ATOM 0 HG LEU A 184 57.663 5.214 1.573 1.00 0.08 H new ATOM 0 HD11 LEU A 184 58.542 6.101 -0.577 1.00 0.09 H new ATOM 0 HD12 LEU A 184 59.704 6.365 0.744 1.00 0.09 H new ATOM 0 HD13 LEU A 184 59.970 5.051 -0.425 1.00 0.09 H new ATOM 0 HD21 LEU A 184 57.059 4.089 -0.559 1.00 0.08 H new ATOM 0 HD22 LEU A 184 58.489 3.040 -0.410 1.00 0.08 H new ATOM 0 HD23 LEU A 184 57.166 2.915 0.774 1.00 0.08 H new ATOM 934 N MET A 185 60.233 2.286 4.547 1.00 0.09 N ATOM 935 CA MET A 185 61.076 1.246 5.106 1.00 0.09 C ATOM 936 C MET A 185 60.219 0.161 5.759 1.00 0.10 C ATOM 937 O MET A 185 60.503 -1.023 5.618 1.00 0.11 O ATOM 938 CB MET A 185 62.048 1.842 6.119 1.00 0.11 C ATOM 939 CG MET A 185 63.061 2.723 5.391 1.00 0.11 C ATOM 940 SD MET A 185 64.277 3.351 6.576 1.00 0.10 S ATOM 941 CE MET A 185 65.174 4.430 5.432 1.00 0.22 C ATOM 0 H MET A 185 60.338 3.204 4.979 1.00 0.09 H new ATOM 0 HA MET A 185 61.652 0.791 4.300 1.00 0.09 H new ATOM 0 HB2 MET A 185 61.505 2.429 6.859 1.00 0.11 H new ATOM 0 HB3 MET A 185 62.562 1.046 6.658 1.00 0.11 H new ATOM 0 HG2 MET A 185 63.561 2.151 4.609 1.00 0.11 H new ATOM 0 HG3 MET A 185 62.552 3.553 4.902 1.00 0.11 H new ATOM 0 HE1 MET A 185 66.242 4.378 5.644 1.00 0.22 H new ATOM 0 HE2 MET A 185 64.991 4.106 4.407 1.00 0.22 H new ATOM 0 HE3 MET A 185 64.830 5.457 5.555 1.00 0.22 H new ATOM 951 N THR A 186 59.154 0.558 6.457 1.00 0.10 N ATOM 952 CA THR A 186 58.285 -0.419 7.117 1.00 0.11 C ATOM 953 C THR A 186 57.716 -1.377 6.072 1.00 0.09 C ATOM 954 O THR A 186 57.625 -2.585 6.294 1.00 0.09 O ATOM 955 CB THR A 186 57.151 0.300 7.858 1.00 0.13 C ATOM 956 OG1 THR A 186 57.707 1.219 8.787 1.00 0.17 O ATOM 957 CG2 THR A 186 56.285 -0.720 8.604 1.00 0.13 C ATOM 0 H THR A 186 58.875 1.531 6.579 1.00 0.10 H new ATOM 0 HA THR A 186 58.864 -0.987 7.845 1.00 0.11 H new ATOM 0 HB THR A 186 56.532 0.834 7.137 1.00 0.13 H new ATOM 0 HG1 THR A 186 56.985 1.682 9.261 1.00 0.17 H new ATOM 0 HG21 THR A 186 55.482 -0.202 9.128 1.00 0.13 H new ATOM 0 HG22 THR A 186 55.857 -1.425 7.891 1.00 0.13 H new ATOM 0 HG23 THR A 186 56.899 -1.260 9.325 1.00 0.13 H new ATOM 965 N ILE A 187 57.336 -0.816 4.928 1.00 0.09 N ATOM 966 CA ILE A 187 56.816 -1.615 3.820 1.00 0.11 C ATOM 967 C ILE A 187 57.832 -2.695 3.454 1.00 0.12 C ATOM 968 O ILE A 187 57.486 -3.855 3.228 1.00 0.12 O ATOM 969 CB ILE A 187 56.583 -0.706 2.604 1.00 0.13 C ATOM 970 CG1 ILE A 187 55.515 0.339 2.937 1.00 0.17 C ATOM 971 CG2 ILE A 187 56.132 -1.539 1.405 1.00 0.23 C ATOM 972 CD1 ILE A 187 55.351 1.305 1.761 1.00 0.20 C ATOM 0 H ILE A 187 57.378 0.186 4.743 1.00 0.09 H new ATOM 0 HA ILE A 187 55.876 -2.081 4.115 1.00 0.11 H new ATOM 0 HB ILE A 187 57.517 -0.202 2.355 1.00 0.13 H new ATOM 0 HG12 ILE A 187 54.566 -0.153 3.151 1.00 0.17 H new ATOM 0 HG13 ILE A 187 55.798 0.889 3.834 1.00 0.17 H new ATOM 0 HG21 ILE A 187 55.970 -0.885 0.548 1.00 0.23 H new ATOM 0 HG22 ILE A 187 56.901 -2.272 1.161 1.00 0.23 H new ATOM 0 HG23 ILE A 187 55.203 -2.055 1.649 1.00 0.23 H new ATOM 0 HD11 ILE A 187 54.590 2.047 2.003 1.00 0.20 H new ATOM 0 HD12 ILE A 187 56.299 1.807 1.568 1.00 0.20 H new ATOM 0 HD13 ILE A 187 55.047 0.750 0.874 1.00 0.20 H new ATOM 984 N MET A 188 59.088 -2.285 3.405 1.00 0.13 N ATOM 985 CA MET A 188 60.170 -3.194 3.074 1.00 0.16 C ATOM 986 C MET A 188 60.204 -4.358 4.058 1.00 0.16 C ATOM 987 O MET A 188 60.349 -5.511 3.671 1.00 0.20 O ATOM 988 CB MET A 188 61.492 -2.448 3.142 1.00 0.18 C ATOM 989 CG MET A 188 61.468 -1.249 2.187 1.00 0.39 C ATOM 990 SD MET A 188 62.662 -1.502 0.850 1.00 0.81 S ATOM 991 CE MET A 188 61.474 -2.011 -0.416 1.00 0.25 C ATOM 0 H MET A 188 59.383 -1.326 3.591 1.00 0.13 H new ATOM 0 HA MET A 188 60.009 -3.582 2.068 1.00 0.16 H new ATOM 0 HB2 MET A 188 61.675 -2.108 4.161 1.00 0.18 H new ATOM 0 HB3 MET A 188 62.311 -3.117 2.878 1.00 0.18 H new ATOM 0 HG2 MET A 188 60.467 -1.122 1.774 1.00 0.39 H new ATOM 0 HG3 MET A 188 61.706 -0.335 2.731 1.00 0.39 H new ATOM 0 HE1 MET A 188 61.616 -3.067 -0.645 1.00 0.25 H new ATOM 0 HE2 MET A 188 60.460 -1.852 -0.048 1.00 0.25 H new ATOM 0 HE3 MET A 188 61.629 -1.420 -1.319 1.00 0.25 H new ATOM 1001 N ALA A 189 60.067 -4.028 5.335 1.00 0.14 N ATOM 1002 CA ALA A 189 60.072 -5.031 6.402 1.00 0.16 C ATOM 1003 C ALA A 189 59.073 -6.162 6.127 1.00 0.14 C ATOM 1004 O ALA A 189 59.444 -7.332 6.119 1.00 0.15 O ATOM 1005 CB ALA A 189 59.726 -4.356 7.730 1.00 0.16 C ATOM 0 H ALA A 189 59.950 -3.069 5.663 1.00 0.14 H new ATOM 0 HA ALA A 189 61.068 -5.471 6.447 1.00 0.16 H new ATOM 0 HB1 ALA A 189 59.729 -5.099 8.527 1.00 0.16 H new ATOM 0 HB2 ALA A 189 60.465 -3.585 7.950 1.00 0.16 H new ATOM 0 HB3 ALA A 189 58.738 -3.902 7.661 1.00 0.16 H new ATOM 1011 N THR A 190 57.808 -5.813 5.897 1.00 0.11 N ATOM 1012 CA THR A 190 56.784 -6.832 5.619 1.00 0.09 C ATOM 1013 C THR A 190 57.202 -7.734 4.450 1.00 0.08 C ATOM 1014 O THR A 190 57.178 -8.960 4.558 1.00 0.10 O ATOM 1015 CB THR A 190 55.447 -6.159 5.269 1.00 0.09 C ATOM 1016 OG1 THR A 190 55.694 -4.900 4.652 1.00 0.09 O ATOM 1017 CG2 THR A 190 54.591 -5.975 6.528 1.00 0.12 C ATOM 0 H THR A 190 57.467 -4.852 5.896 1.00 0.11 H new ATOM 0 HA THR A 190 56.673 -7.440 6.517 1.00 0.09 H new ATOM 0 HB THR A 190 54.900 -6.798 4.575 1.00 0.09 H new ATOM 0 HG1 THR A 190 56.328 -5.016 3.914 1.00 0.09 H new ATOM 0 HG21 THR A 190 53.649 -5.497 6.261 1.00 0.12 H new ATOM 0 HG22 THR A 190 54.390 -6.948 6.977 1.00 0.12 H new ATOM 0 HG23 THR A 190 55.125 -5.349 7.243 1.00 0.12 H new ATOM 1025 N LEU A 191 57.584 -7.112 3.344 1.00 0.09 N ATOM 1026 CA LEU A 191 58.003 -7.856 2.153 1.00 0.10 C ATOM 1027 C LEU A 191 59.173 -8.794 2.468 1.00 0.11 C ATOM 1028 O LEU A 191 59.128 -9.991 2.186 1.00 0.12 O ATOM 1029 CB LEU A 191 58.445 -6.870 1.072 1.00 0.12 C ATOM 1030 CG LEU A 191 57.241 -6.095 0.537 1.00 0.13 C ATOM 1031 CD1 LEU A 191 57.695 -4.697 0.086 1.00 0.15 C ATOM 1032 CD2 LEU A 191 56.647 -6.856 -0.653 1.00 0.15 C ATOM 0 H LEU A 191 57.614 -6.098 3.241 1.00 0.09 H new ATOM 0 HA LEU A 191 57.157 -8.452 1.810 1.00 0.10 H new ATOM 0 HB2 LEU A 191 59.180 -6.177 1.481 1.00 0.12 H new ATOM 0 HB3 LEU A 191 58.932 -7.407 0.258 1.00 0.12 H new ATOM 0 HG LEU A 191 56.487 -5.993 1.318 1.00 0.13 H new ATOM 0 HD11 LEU A 191 56.838 -4.142 -0.296 1.00 0.15 H new ATOM 0 HD12 LEU A 191 58.125 -4.163 0.934 1.00 0.15 H new ATOM 0 HD13 LEU A 191 58.444 -4.794 -0.700 1.00 0.15 H new ATOM 0 HD21 LEU A 191 55.787 -6.310 -1.041 1.00 0.15 H new ATOM 0 HD22 LEU A 191 57.399 -6.952 -1.436 1.00 0.15 H new ATOM 0 HD23 LEU A 191 56.331 -7.848 -0.330 1.00 0.15 H new ATOM 1044 N MET A 192 60.210 -8.218 3.054 1.00 0.11 N ATOM 1045 CA MET A 192 61.426 -8.940 3.412 1.00 0.14 C ATOM 1046 C MET A 192 61.231 -9.878 4.598 1.00 0.13 C ATOM 1047 O MET A 192 62.044 -10.774 4.824 1.00 0.16 O ATOM 1048 CB MET A 192 62.517 -7.943 3.759 1.00 0.15 C ATOM 1049 CG MET A 192 62.910 -7.155 2.509 1.00 0.18 C ATOM 1050 SD MET A 192 63.740 -8.252 1.333 1.00 0.28 S ATOM 1051 CE MET A 192 65.163 -8.663 2.373 1.00 0.96 C ATOM 0 H MET A 192 60.234 -7.228 3.298 1.00 0.11 H new ATOM 0 HA MET A 192 61.701 -9.548 2.550 1.00 0.14 H new ATOM 0 HB2 MET A 192 62.168 -7.262 4.535 1.00 0.15 H new ATOM 0 HB3 MET A 192 63.386 -8.465 4.160 1.00 0.15 H new ATOM 0 HG2 MET A 192 62.024 -6.717 2.050 1.00 0.18 H new ATOM 0 HG3 MET A 192 63.569 -6.330 2.780 1.00 0.18 H new ATOM 0 HE1 MET A 192 66.053 -8.758 1.751 1.00 0.96 H new ATOM 0 HE2 MET A 192 65.317 -7.873 3.108 1.00 0.96 H new ATOM 0 HE3 MET A 192 64.977 -9.606 2.887 1.00 0.96 H new ATOM 1061 N GLY A 193 60.164 -9.677 5.352 1.00 0.14 N ATOM 1062 CA GLY A 193 59.924 -10.472 6.542 1.00 0.19 C ATOM 1063 C GLY A 193 59.002 -11.645 6.227 1.00 0.22 C ATOM 1064 O GLY A 193 58.533 -12.336 7.132 1.00 0.32 O ATOM 0 H GLY A 193 59.452 -8.972 5.161 1.00 0.14 H new ATOM 0 HA2 GLY A 193 60.871 -10.842 6.936 1.00 0.19 H new ATOM 0 HA3 GLY A 193 59.478 -9.850 7.318 1.00 0.19 H new