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 -35:sc= -0.222 USER MOD Set 1.2: A 172 GLN : amide:sc= -0.452 X(o=-0.67,f=-0.54) USER MOD Single : A 134 GLN : amide:sc=-0.00328 K(o=-0.0033,f=-0.88) USER MOD Single : A 140 ASN : amide:sc= -0.025 K(o=-0.025,f=-0.89) USER MOD Single : A 144 ASN : amide:sc= -0.135 K(o=-0.14,f=-0.79) 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= -0.0806 X(o=-0.081,f=-0.081) USER MOD Single : A 150 LYS NZ :NH3+ -141:sc=-0.00722 (180deg=-0.319) USER MOD Single : A 151 THR OG1 : rot -160:sc= -0.768 USER MOD Single : A 152 SER OG : rot -98:sc= 1.27 USER MOD Single : A 154 MET CE :methyl -159:sc= -0.765 (180deg=-1.96!) USER MOD Single : A 155 MET CE :methyl 180:sc= -0.0285 (180deg=-0.0285) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.53) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 52:sc= -1.68 USER MOD Single : A 168 LYS NZ :NH3+ 176:sc= -0.0504 (180deg=-0.108) USER MOD Single : A 169 GLN : amide:sc=-0.00165 K(o=-0.0017,f=-0.81) USER MOD Single : A 170 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 176 GLN : amide:sc= -0.0835 X(o=-0.083,f=-0.45) USER MOD Single : A 180 THR OG1 : rot -28:sc= 1.12 USER MOD Single : A 185 MET CE :methyl -151:sc= -1.2 (180deg=-1.94) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl 136:sc= -5.88! (180deg=-9.95!) USER MOD Single : A 190 THR OG1 : rot 35:sc= 0.986 USER MOD Single : A 192 MET CE :methyl -130:sc= -0.288 (180deg=-1.3) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 62.959 -1.151 -5.005 1.00 0.00 N ATOM 92 CA THR A 133 61.910 -0.850 -5.976 1.00 0.00 C ATOM 93 C THR A 133 61.242 -2.104 -6.506 1.00 0.00 C ATOM 94 O THR A 133 60.032 -2.125 -6.660 1.00 0.00 O ATOM 95 CB THR A 133 62.499 -0.049 -7.136 1.00 0.00 C ATOM 96 OG1 THR A 133 63.535 -0.798 -7.761 1.00 0.00 O ATOM 97 CG2 THR A 133 63.058 1.264 -6.593 1.00 0.00 C ATOM 0 HA THR A 133 61.146 -0.264 -5.465 1.00 0.00 H new ATOM 0 HB THR A 133 61.725 0.159 -7.874 1.00 0.00 H new ATOM 0 HG1 THR A 133 64.016 -1.319 -7.084 1.00 0.00 H new ATOM 0 HG21 THR A 133 63.482 1.845 -7.412 1.00 0.00 H new ATOM 0 HG22 THR A 133 62.257 1.833 -6.121 1.00 0.00 H new ATOM 0 HG23 THR A 133 63.835 1.053 -5.858 1.00 0.00 H new ATOM 105 N GLN A 134 62.010 -3.170 -6.705 1.00 0.00 N ATOM 106 CA GLN A 134 61.466 -4.391 -7.306 1.00 0.00 C ATOM 107 C GLN A 134 60.229 -4.885 -6.547 1.00 0.00 C ATOM 108 O GLN A 134 59.208 -5.200 -7.161 1.00 0.00 O ATOM 109 CB GLN A 134 62.532 -5.487 -7.325 1.00 0.00 C ATOM 110 CG GLN A 134 63.649 -5.098 -8.295 1.00 0.00 C ATOM 111 CD GLN A 134 64.750 -6.155 -8.278 1.00 0.00 C ATOM 112 OE1 GLN A 134 65.029 -6.747 -7.235 1.00 0.00 O ATOM 113 NE2 GLN A 134 65.396 -6.428 -9.379 1.00 0.00 N ATOM 0 H GLN A 134 63.000 -3.218 -6.464 1.00 0.00 H new ATOM 0 HA GLN A 134 61.167 -4.155 -8.327 1.00 0.00 H new ATOM 0 HB2 GLN A 134 62.939 -5.630 -6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.088 -6.435 -7.627 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.247 -4.997 -9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.061 -4.128 -8.017 1.00 0.00 H new ATOM 0 HE21 GLN A 134 65.163 -5.937 -10.242 1.00 0.00 H new ATOM 0 HE22 GLN A 134 66.133 -7.133 -9.376 1.00 0.00 H new ATOM 122 N LEU A 135 60.292 -4.860 -5.216 1.00 0.00 N ATOM 123 CA LEU A 135 59.181 -5.355 -4.405 1.00 0.00 C ATOM 124 C LEU A 135 57.905 -4.546 -4.630 1.00 0.00 C ATOM 125 O LEU A 135 56.869 -5.109 -4.987 1.00 0.00 O ATOM 126 CB LEU A 135 59.554 -5.277 -2.931 1.00 0.00 C ATOM 127 CG LEU A 135 60.711 -6.224 -2.636 1.00 0.00 C ATOM 128 CD1 LEU A 135 61.231 -5.952 -1.226 1.00 0.00 C ATOM 129 CD2 LEU A 135 60.215 -7.669 -2.728 1.00 0.00 C ATOM 0 H LEU A 135 61.087 -4.508 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 135 58.991 -6.386 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 135 59.834 -4.256 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 135 58.693 -5.538 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 135 61.512 -6.068 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 135 62.059 -6.626 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 135 61.575 -4.920 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 135 60.430 -6.116 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 135 61.039 -8.351 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 135 59.419 -7.827 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.833 -7.860 -3.731 1.00 0.00 H new ATOM 141 N PHE A 136 57.983 -3.228 -4.432 1.00 0.00 N ATOM 142 CA PHE A 136 56.845 -2.358 -4.733 1.00 0.00 C ATOM 143 C PHE A 136 56.655 -2.028 -6.215 1.00 0.00 C ATOM 144 O PHE A 136 55.518 -1.856 -6.656 1.00 0.00 O ATOM 145 CB PHE A 136 56.747 -1.128 -3.816 1.00 0.00 C ATOM 146 CG PHE A 136 58.028 -0.586 -3.236 1.00 0.00 C ATOM 147 CD1 PHE A 136 59.006 0.063 -4.024 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.205 -0.698 -1.841 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.167 0.591 -3.398 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.358 -0.174 -1.223 1.00 0.00 C ATOM 151 CZ PHE A 136 60.341 0.472 -2.002 1.00 0.00 C ATOM 0 H PHE A 136 58.807 -2.747 -4.071 1.00 0.00 H new ATOM 0 HA PHE A 136 55.981 -2.976 -4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.268 -0.327 -4.379 1.00 0.00 H new ATOM 0 HB3 PHE A 136 56.083 -1.378 -2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.872 0.157 -5.092 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.452 -1.189 -1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.920 1.086 -3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.489 -0.267 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.225 0.875 -1.531 1.00 0.00 H new ATOM 161 N ALA A 137 57.724 -2.035 -7.004 1.00 0.00 N ATOM 162 CA ALA A 137 57.590 -1.791 -8.450 1.00 0.00 C ATOM 163 C ALA A 137 56.654 -2.827 -9.087 1.00 0.00 C ATOM 164 O ALA A 137 56.040 -2.567 -10.122 1.00 0.00 O ATOM 165 CB ALA A 137 58.955 -1.844 -9.141 1.00 0.00 C ATOM 0 H ALA A 137 58.678 -2.203 -6.683 1.00 0.00 H new ATOM 0 HA ALA A 137 57.166 -0.795 -8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 137 58.830 -1.661 -10.208 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.608 -1.082 -8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.401 -2.827 -8.991 1.00 0.00 H new ATOM 171 N ASP A 138 56.554 -4.002 -8.456 1.00 0.00 N ATOM 172 CA ASP A 138 55.522 -4.988 -8.805 1.00 0.00 C ATOM 173 C ASP A 138 54.122 -4.348 -8.732 1.00 0.00 C ATOM 174 O ASP A 138 53.884 -3.478 -7.892 1.00 0.00 O ATOM 175 CB ASP A 138 55.600 -6.161 -7.808 1.00 0.00 C ATOM 176 CG ASP A 138 55.157 -7.483 -8.445 1.00 0.00 C ATOM 177 OD1 ASP A 138 54.984 -7.526 -9.649 1.00 0.00 O ATOM 178 OD2 ASP A 138 54.996 -8.439 -7.704 1.00 0.00 O ATOM 0 H ASP A 138 57.174 -4.295 -7.701 1.00 0.00 H new ATOM 0 HA ASP A 138 55.692 -5.343 -9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.622 -6.259 -7.442 1.00 0.00 H new ATOM 0 HB3 ASP A 138 54.971 -5.946 -6.944 1.00 0.00 H new ATOM 183 N PRO A 139 53.206 -4.745 -9.591 1.00 0.00 N ATOM 184 CA PRO A 139 51.754 -4.437 -9.389 1.00 0.00 C ATOM 185 C PRO A 139 51.200 -5.116 -8.141 1.00 0.00 C ATOM 186 O PRO A 139 51.808 -6.045 -7.611 1.00 0.00 O ATOM 187 CB PRO A 139 51.060 -4.961 -10.657 1.00 0.00 C ATOM 188 CG PRO A 139 52.064 -5.826 -11.335 1.00 0.00 C ATOM 189 CD PRO A 139 53.428 -5.265 -10.951 1.00 0.00 C ATOM 0 HA PRO A 139 51.588 -3.371 -9.237 1.00 0.00 H new ATOM 0 HB2 PRO A 139 50.161 -5.525 -10.407 1.00 0.00 H new ATOM 0 HB3 PRO A 139 50.751 -4.139 -11.303 1.00 0.00 H new ATOM 0 HG2 PRO A 139 51.965 -6.863 -11.016 1.00 0.00 H new ATOM 0 HG3 PRO A 139 51.926 -5.811 -12.416 1.00 0.00 H new ATOM 0 HD2 PRO A 139 54.199 -6.035 -10.967 1.00 0.00 H new ATOM 0 HD3 PRO A 139 53.748 -4.479 -11.636 1.00 0.00 H new ATOM 197 N ASN A 140 50.001 -4.682 -7.730 1.00 0.00 N ATOM 198 CA ASN A 140 49.453 -4.920 -6.375 1.00 0.00 C ATOM 199 C ASN A 140 50.451 -5.496 -5.360 1.00 0.00 C ATOM 200 O ASN A 140 50.448 -6.702 -5.093 1.00 0.00 O ATOM 201 CB ASN A 140 48.250 -5.871 -6.480 1.00 0.00 C ATOM 202 CG ASN A 140 47.233 -5.348 -7.494 1.00 0.00 C ATOM 203 OD1 ASN A 140 47.108 -4.138 -7.683 1.00 0.00 O ATOM 204 ND2 ASN A 140 46.511 -6.196 -8.172 1.00 0.00 N ATOM 0 H ASN A 140 49.372 -4.149 -8.331 1.00 0.00 H new ATOM 0 HA ASN A 140 49.173 -3.938 -5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.590 -6.863 -6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 140 47.777 -5.975 -5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 140 45.840 -5.857 -8.862 1.00 0.00 H new ATOM 0 HD22 ASN A 140 46.617 -7.198 -8.013 1.00 0.00 H new ATOM 211 N LEU A 141 51.325 -4.649 -4.819 1.00 0.00 N ATOM 212 CA LEU A 141 51.958 -4.965 -3.540 1.00 0.00 C ATOM 213 C LEU A 141 51.419 -4.057 -2.421 1.00 0.00 C ATOM 214 O LEU A 141 51.516 -4.402 -1.243 1.00 0.00 O ATOM 215 CB LEU A 141 53.477 -4.788 -3.659 1.00 0.00 C ATOM 216 CG LEU A 141 54.173 -5.318 -2.397 1.00 0.00 C ATOM 217 CD1 LEU A 141 54.075 -6.851 -2.343 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.644 -4.892 -2.404 1.00 0.00 C ATOM 0 H LEU A 141 51.606 -3.760 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 141 51.726 -6.000 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.845 -5.320 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.718 -3.734 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 141 53.680 -4.902 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 141 54.572 -7.216 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 141 53.026 -7.148 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.557 -7.278 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 141 56.136 -5.269 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 141 56.137 -5.299 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.708 -3.804 -2.422 1.00 0.00 H new ATOM 230 N ILE A 142 50.736 -2.966 -2.792 1.00 0.00 N ATOM 231 CA ILE A 142 50.171 -2.063 -1.793 1.00 0.00 C ATOM 232 C ILE A 142 49.054 -2.749 -0.997 1.00 0.00 C ATOM 233 O ILE A 142 48.864 -2.440 0.177 1.00 0.00 O ATOM 234 CB ILE A 142 49.689 -0.745 -2.457 1.00 0.00 C ATOM 235 CG1 ILE A 142 50.909 0.174 -2.694 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.680 -0.010 -1.549 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.483 1.428 -3.475 1.00 0.00 C ATOM 0 H ILE A 142 50.566 -2.694 -3.760 1.00 0.00 H new ATOM 0 HA ILE A 142 50.954 -1.803 -1.081 1.00 0.00 H new ATOM 0 HB ILE A 142 49.201 -0.988 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.347 0.463 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.678 -0.365 -3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.356 0.910 -2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.816 -0.650 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.154 0.230 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.350 2.068 -3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 142 50.066 1.133 -4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 142 49.730 1.973 -2.905 1.00 0.00 H new ATOM 249 N GLU A 143 48.337 -3.697 -1.606 1.00 0.00 N ATOM 250 CA GLU A 143 47.174 -4.292 -0.934 1.00 0.00 C ATOM 251 C GLU A 143 47.598 -5.073 0.310 1.00 0.00 C ATOM 252 O GLU A 143 47.104 -4.827 1.411 1.00 0.00 O ATOM 253 CB GLU A 143 46.462 -5.244 -1.895 1.00 0.00 C ATOM 254 CG GLU A 143 45.761 -4.435 -2.986 1.00 0.00 C ATOM 255 CD GLU A 143 44.995 -5.365 -3.922 1.00 0.00 C ATOM 256 OE1 GLU A 143 44.381 -6.299 -3.430 1.00 0.00 O ATOM 257 OE2 GLU A 143 45.033 -5.131 -5.118 1.00 0.00 O ATOM 0 H GLU A 143 48.532 -4.063 -2.538 1.00 0.00 H new ATOM 0 HA GLU A 143 46.506 -3.485 -0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.180 -5.932 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.736 -5.850 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.076 -3.718 -2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.495 -3.862 -3.552 1.00 0.00 H new ATOM 264 N ASN A 144 48.604 -5.929 0.155 1.00 0.00 N ATOM 265 CA ASN A 144 49.211 -6.613 1.300 1.00 0.00 C ATOM 266 C ASN A 144 49.693 -5.595 2.337 1.00 0.00 C ATOM 267 O ASN A 144 49.565 -5.800 3.545 1.00 0.00 O ATOM 268 CB ASN A 144 50.398 -7.451 0.815 1.00 0.00 C ATOM 269 CG ASN A 144 49.950 -8.440 -0.261 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.806 -8.894 -0.254 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.777 -8.763 -1.219 1.00 0.00 N ATOM 0 H ASN A 144 49.017 -6.167 -0.747 1.00 0.00 H new ATOM 0 HA ASN A 144 48.465 -7.258 1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 144 51.174 -6.797 0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.837 -7.991 1.654 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.475 -9.392 -1.963 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.725 -8.386 -1.223 1.00 0.00 H new ATOM 278 N LEU A 145 50.246 -4.502 1.831 1.00 0.00 N ATOM 279 CA LEU A 145 50.701 -3.400 2.672 1.00 0.00 C ATOM 280 C LEU A 145 49.540 -2.716 3.403 1.00 0.00 C ATOM 281 O LEU A 145 49.760 -2.027 4.396 1.00 0.00 O ATOM 282 CB LEU A 145 51.499 -2.401 1.834 1.00 0.00 C ATOM 283 CG LEU A 145 52.708 -3.126 1.233 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.386 -2.231 0.193 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.705 -3.471 2.348 1.00 0.00 C ATOM 0 H LEU A 145 50.392 -4.353 0.833 1.00 0.00 H new ATOM 0 HA LEU A 145 51.353 -3.810 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.874 -1.986 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.827 -1.565 2.452 1.00 0.00 H new ATOM 0 HG LEU A 145 52.374 -4.044 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.245 -2.752 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.677 -1.994 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.719 -1.309 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.565 -3.987 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 145 54.037 -2.554 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 145 53.222 -4.117 3.081 1.00 0.00 H new ATOM 297 N LYS A 146 48.332 -2.788 2.841 1.00 0.00 N ATOM 298 CA LYS A 146 47.158 -2.241 3.525 1.00 0.00 C ATOM 299 C LYS A 146 46.907 -2.956 4.860 1.00 0.00 C ATOM 300 O LYS A 146 46.702 -2.312 5.889 1.00 0.00 O ATOM 301 CB LYS A 146 45.903 -2.372 2.654 1.00 0.00 C ATOM 302 CG LYS A 146 46.023 -1.464 1.429 1.00 0.00 C ATOM 303 CD LYS A 146 44.693 -1.448 0.673 1.00 0.00 C ATOM 304 CE LYS A 146 43.703 -0.530 1.394 1.00 0.00 C ATOM 305 NZ LYS A 146 42.311 -0.910 1.020 1.00 0.00 N ATOM 0 H LYS A 146 48.142 -3.211 1.932 1.00 0.00 H new ATOM 0 HA LYS A 146 47.364 -1.187 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.775 -3.408 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 146 45.019 -2.103 3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.290 -0.453 1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.820 -1.820 0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 146 44.848 -1.101 -0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.288 -2.458 0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 146 43.836 -0.610 2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 146 43.892 0.509 1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 41.638 -0.287 1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 42.189 -0.812 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 42.134 -1.897 1.297 1.00 0.00 H new ATOM 319 N LYS A 147 46.884 -4.293 4.827 1.00 0.00 N ATOM 320 CA LYS A 147 46.324 -5.049 5.954 1.00 0.00 C ATOM 321 C LYS A 147 47.303 -5.288 7.122 1.00 0.00 C ATOM 322 O LYS A 147 46.924 -5.086 8.278 1.00 0.00 O ATOM 323 CB LYS A 147 45.816 -6.401 5.452 1.00 0.00 C ATOM 324 CG LYS A 147 44.652 -6.183 4.485 1.00 0.00 C ATOM 325 CD LYS A 147 44.068 -7.536 4.071 1.00 0.00 C ATOM 326 CE LYS A 147 42.987 -7.323 3.011 1.00 0.00 C ATOM 327 NZ LYS A 147 41.707 -6.947 3.675 1.00 0.00 N ATOM 0 H LYS A 147 47.235 -4.861 4.056 1.00 0.00 H new ATOM 0 HA LYS A 147 45.519 -4.432 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.621 -6.941 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.494 -7.015 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.883 -5.573 4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 147 44.994 -5.639 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 147 44.856 -8.179 3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 147 43.646 -8.043 4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 147 43.293 -6.540 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 147 42.852 -8.233 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 40.971 -6.802 2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 41.414 -7.708 4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 41.841 -6.068 4.215 1.00 0.00 H new ATOM 341 N ASN A 148 48.551 -5.700 6.843 1.00 0.00 N ATOM 342 CA ASN A 148 49.406 -6.194 7.944 1.00 0.00 C ATOM 343 C ASN A 148 50.459 -5.190 8.458 1.00 0.00 C ATOM 344 O ASN A 148 50.962 -5.367 9.571 1.00 0.00 O ATOM 345 CB ASN A 148 50.131 -7.457 7.462 1.00 0.00 C ATOM 346 CG ASN A 148 50.835 -8.153 8.626 1.00 0.00 C ATOM 347 OD1 ASN A 148 50.197 -8.853 9.412 1.00 0.00 O ATOM 348 ND2 ASN A 148 52.122 -7.999 8.780 1.00 0.00 N ATOM 0 H ASN A 148 48.977 -5.704 5.916 1.00 0.00 H new ATOM 0 HA ASN A 148 48.738 -6.381 8.785 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.416 -8.140 7.002 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.859 -7.194 6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.602 -8.459 9.553 1.00 0.00 H new ATOM 0 HD22 ASN A 148 52.648 -7.418 8.127 1.00 0.00 H new ATOM 355 N PRO A 149 50.810 -4.167 7.714 1.00 0.00 N ATOM 356 CA PRO A 149 51.809 -3.173 8.193 1.00 0.00 C ATOM 357 C PRO A 149 51.199 -1.815 8.531 1.00 0.00 C ATOM 358 O PRO A 149 50.244 -1.374 7.892 1.00 0.00 O ATOM 359 CB PRO A 149 52.772 -3.062 7.018 1.00 0.00 C ATOM 360 CG PRO A 149 51.950 -3.340 5.802 1.00 0.00 C ATOM 361 CD PRO A 149 50.658 -4.038 6.260 1.00 0.00 C ATOM 0 HA PRO A 149 52.278 -3.488 9.125 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.220 -2.070 6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.589 -3.777 7.111 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.718 -2.413 5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.500 -3.972 5.105 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.776 -3.451 6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.542 -5.012 5.784 1.00 0.00 H new ATOM 369 N LYS A 150 51.813 -1.126 9.496 1.00 0.00 N ATOM 370 CA LYS A 150 51.410 0.245 9.841 1.00 0.00 C ATOM 371 C LYS A 150 51.535 1.180 8.626 1.00 0.00 C ATOM 372 O LYS A 150 50.907 2.238 8.583 1.00 0.00 O ATOM 373 CB LYS A 150 52.280 0.798 10.982 1.00 0.00 C ATOM 374 CG LYS A 150 52.367 -0.214 12.128 1.00 0.00 C ATOM 375 CD LYS A 150 53.020 0.446 13.348 1.00 0.00 C ATOM 376 CE LYS A 150 54.509 0.694 13.077 1.00 0.00 C ATOM 377 NZ LYS A 150 54.713 2.120 12.694 1.00 0.00 N ATOM 0 H LYS A 150 52.587 -1.490 10.051 1.00 0.00 H new ATOM 0 HA LYS A 150 50.369 0.206 10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.280 1.022 10.610 1.00 0.00 H new ATOM 0 HB3 LYS A 150 51.859 1.735 11.347 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.371 -0.573 12.386 1.00 0.00 H new ATOM 0 HG3 LYS A 150 52.948 -1.082 11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 150 52.521 1.389 13.572 1.00 0.00 H new ATOM 0 HD3 LYS A 150 52.903 -0.193 14.223 1.00 0.00 H new ATOM 0 HE2 LYS A 150 55.096 0.457 13.965 1.00 0.00 H new ATOM 0 HE3 LYS A 150 54.859 0.038 12.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 55.425 2.178 11.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 53.815 2.520 12.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 55.042 2.658 13.521 1.00 0.00 H new ATOM 391 N THR A 151 52.315 0.760 7.625 1.00 0.00 N ATOM 392 CA THR A 151 52.535 1.563 6.418 1.00 0.00 C ATOM 393 C THR A 151 51.206 1.893 5.711 1.00 0.00 C ATOM 394 O THR A 151 51.093 2.888 4.978 1.00 0.00 O ATOM 395 CB THR A 151 53.449 0.782 5.466 1.00 0.00 C ATOM 396 OG1 THR A 151 52.803 -0.422 5.079 1.00 0.00 O ATOM 397 CG2 THR A 151 54.771 0.448 6.162 1.00 0.00 C ATOM 0 H THR A 151 52.806 -0.134 7.627 1.00 0.00 H new ATOM 0 HA THR A 151 53.001 2.506 6.705 1.00 0.00 H new ATOM 0 HB THR A 151 53.654 1.392 4.586 1.00 0.00 H new ATOM 0 HG1 THR A 151 53.470 -1.059 4.747 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.413 -0.107 5.477 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.269 1.371 6.459 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.574 -0.158 7.046 1.00 0.00 H new ATOM 405 N SER A 152 50.169 1.108 6.003 1.00 0.00 N ATOM 406 CA SER A 152 48.868 1.293 5.365 1.00 0.00 C ATOM 407 C SER A 152 48.248 2.658 5.678 1.00 0.00 C ATOM 408 O SER A 152 47.318 3.090 4.988 1.00 0.00 O ATOM 409 CB SER A 152 47.927 0.193 5.836 1.00 0.00 C ATOM 410 OG SER A 152 48.128 -0.038 7.222 1.00 0.00 O ATOM 0 H SER A 152 50.205 0.341 6.675 1.00 0.00 H new ATOM 0 HA SER A 152 49.018 1.245 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.892 0.480 5.650 1.00 0.00 H new ATOM 0 HB3 SER A 152 48.109 -0.723 5.273 1.00 0.00 H new ATOM 0 HG SER A 152 48.717 -0.812 7.343 1.00 0.00 H new ATOM 416 N GLU A 153 48.796 3.373 6.667 1.00 0.00 N ATOM 417 CA GLU A 153 48.326 4.723 6.965 1.00 0.00 C ATOM 418 C GLU A 153 48.427 5.606 5.722 1.00 0.00 C ATOM 419 O GLU A 153 47.417 6.140 5.248 1.00 0.00 O ATOM 420 CB GLU A 153 49.160 5.324 8.099 1.00 0.00 C ATOM 421 CG GLU A 153 48.648 4.801 9.445 1.00 0.00 C ATOM 422 CD GLU A 153 49.745 4.897 10.503 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.480 5.873 10.489 1.00 0.00 O ATOM 424 OE2 GLU A 153 49.833 3.991 11.316 1.00 0.00 O ATOM 0 H GLU A 153 49.554 3.043 7.264 1.00 0.00 H new ATOM 0 HA GLU A 153 47.282 4.672 7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.210 5.061 7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 153 49.098 6.412 8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.778 5.378 9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 153 48.323 3.766 9.341 1.00 0.00 H new ATOM 431 N MET A 154 49.599 5.591 5.081 1.00 0.00 N ATOM 432 CA MET A 154 49.835 6.485 3.953 1.00 0.00 C ATOM 433 C MET A 154 48.923 6.133 2.791 1.00 0.00 C ATOM 434 O MET A 154 48.609 6.993 1.966 1.00 0.00 O ATOM 435 CB MET A 154 51.274 6.408 3.455 1.00 0.00 C ATOM 436 CG MET A 154 52.235 6.826 4.564 1.00 0.00 C ATOM 437 SD MET A 154 53.918 6.914 3.896 1.00 0.00 S ATOM 438 CE MET A 154 54.046 5.197 3.338 1.00 0.00 C ATOM 0 H MET A 154 50.382 4.982 5.320 1.00 0.00 H new ATOM 0 HA MET A 154 49.631 7.494 4.312 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.501 5.393 3.130 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.402 7.056 2.588 1.00 0.00 H new ATOM 0 HG2 MET A 154 51.941 7.794 4.970 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.194 6.110 5.385 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.097 4.924 3.238 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.569 4.541 4.066 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.550 5.090 2.374 1.00 0.00 H new ATOM 448 N MET A 155 48.556 4.851 2.665 1.00 0.00 N ATOM 449 CA MET A 155 47.751 4.416 1.526 1.00 0.00 C ATOM 450 C MET A 155 46.343 5.013 1.579 1.00 0.00 C ATOM 451 O MET A 155 45.802 5.434 0.554 1.00 0.00 O ATOM 452 CB MET A 155 47.645 2.884 1.513 1.00 0.00 C ATOM 453 CG MET A 155 49.047 2.259 1.482 1.00 0.00 C ATOM 454 SD MET A 155 49.861 2.633 -0.094 1.00 0.00 S ATOM 455 CE MET A 155 51.552 2.254 0.426 1.00 0.00 C ATOM 0 H MET A 155 48.800 4.113 3.326 1.00 0.00 H new ATOM 0 HA MET A 155 48.244 4.765 0.619 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.105 2.541 2.396 1.00 0.00 H new ATOM 0 HB3 MET A 155 47.074 2.558 0.644 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.644 2.644 2.309 1.00 0.00 H new ATOM 0 HG3 MET A 155 48.976 1.180 1.616 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.235 2.419 -0.408 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.831 2.902 1.257 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.611 1.213 0.742 1.00 0.00 H new ATOM 465 N LYS A 156 45.755 5.049 2.779 1.00 0.00 N ATOM 466 CA LYS A 156 44.326 5.327 2.908 1.00 0.00 C ATOM 467 C LYS A 156 44.024 6.827 2.982 1.00 0.00 C ATOM 468 O LYS A 156 42.882 7.238 2.765 1.00 0.00 O ATOM 469 CB LYS A 156 43.806 4.653 4.176 1.00 0.00 C ATOM 470 CG LYS A 156 43.848 3.133 4.004 1.00 0.00 C ATOM 471 CD LYS A 156 43.223 2.463 5.228 1.00 0.00 C ATOM 472 CE LYS A 156 43.369 0.945 5.109 1.00 0.00 C ATOM 473 NZ LYS A 156 42.618 0.285 6.215 1.00 0.00 N ATOM 0 H LYS A 156 46.241 4.891 3.662 1.00 0.00 H new ATOM 0 HA LYS A 156 43.831 4.936 2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.412 4.949 5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.786 4.978 4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 156 43.308 2.843 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.878 2.799 3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 156 43.710 2.816 6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 156 42.170 2.733 5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 156 42.989 0.607 4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 156 44.422 0.666 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 42.717 -0.747 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 43.000 0.599 7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 41.612 0.542 6.153 1.00 0.00 H new ATOM 487 N ASP A 157 45.042 7.640 3.285 1.00 0.00 N ATOM 488 CA ASP A 157 44.844 9.093 3.342 1.00 0.00 C ATOM 489 C ASP A 157 45.709 9.833 2.307 1.00 0.00 C ATOM 490 O ASP A 157 45.206 10.230 1.255 1.00 0.00 O ATOM 491 CB ASP A 157 45.126 9.603 4.765 1.00 0.00 C ATOM 492 CG ASP A 157 43.821 9.778 5.538 1.00 0.00 C ATOM 493 OD1 ASP A 157 43.128 8.791 5.723 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.535 10.896 5.934 1.00 0.00 O ATOM 0 H ASP A 157 45.991 7.327 3.490 1.00 0.00 H new ATOM 0 HA ASP A 157 43.805 9.302 3.090 1.00 0.00 H new ATOM 0 HB2 ASP A 157 45.774 8.900 5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 157 45.658 10.553 4.718 1.00 0.00 H new ATOM 499 N PRO A 158 46.983 10.021 2.567 1.00 0.00 N ATOM 500 CA PRO A 158 47.788 11.079 1.873 1.00 0.00 C ATOM 501 C PRO A 158 47.947 10.853 0.368 1.00 0.00 C ATOM 502 O PRO A 158 47.969 9.721 -0.114 1.00 0.00 O ATOM 503 CB PRO A 158 49.151 11.034 2.571 1.00 0.00 C ATOM 504 CG PRO A 158 49.237 9.672 3.163 1.00 0.00 C ATOM 505 CD PRO A 158 47.811 9.301 3.553 1.00 0.00 C ATOM 0 HA PRO A 158 47.288 12.045 1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 158 49.962 11.209 1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.226 11.804 3.339 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.645 8.959 2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 158 49.895 9.664 4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.649 8.224 3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.581 9.611 4.572 1.00 0.00 H new ATOM 513 N GLN A 159 48.206 11.954 -0.344 1.00 0.00 N ATOM 514 CA GLN A 159 48.495 11.911 -1.782 1.00 0.00 C ATOM 515 C GLN A 159 49.743 11.065 -2.087 1.00 0.00 C ATOM 516 O GLN A 159 49.937 10.622 -3.223 1.00 0.00 O ATOM 517 CB GLN A 159 48.698 13.327 -2.319 1.00 0.00 C ATOM 518 CG GLN A 159 47.340 13.990 -2.557 1.00 0.00 C ATOM 519 CD GLN A 159 46.636 13.337 -3.743 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.241 13.152 -4.800 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.389 12.972 -3.630 1.00 0.00 N ATOM 0 H GLN A 159 48.222 12.893 0.055 1.00 0.00 H new ATOM 0 HA GLN A 159 47.640 11.447 -2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.281 13.915 -1.610 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.266 13.295 -3.249 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.722 13.901 -1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.475 15.055 -2.746 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.890 13.126 -2.754 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.913 12.532 -4.418 1.00 0.00 H new ATOM 530 N LEU A 160 50.557 10.805 -1.058 1.00 0.00 N ATOM 531 CA LEU A 160 51.870 10.197 -1.266 1.00 0.00 C ATOM 532 C LEU A 160 51.743 8.863 -2.013 1.00 0.00 C ATOM 533 O LEU A 160 52.689 8.422 -2.661 1.00 0.00 O ATOM 534 CB LEU A 160 52.554 9.961 0.083 1.00 0.00 C ATOM 535 CG LEU A 160 54.039 9.659 -0.138 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.758 10.924 -0.610 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.661 9.180 1.175 1.00 0.00 C ATOM 0 H LEU A 160 50.331 11.005 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 160 52.470 10.879 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.442 10.840 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 160 52.077 9.130 0.603 1.00 0.00 H new ATOM 0 HG LEU A 160 54.141 8.882 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.814 10.705 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.316 11.266 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.657 11.703 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.718 8.965 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.557 9.957 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 160 54.152 8.276 1.510 1.00 0.00 H new ATOM 549 N VAL A 161 50.561 8.232 -1.933 1.00 0.00 N ATOM 550 CA VAL A 161 50.312 6.969 -2.638 1.00 0.00 C ATOM 551 C VAL A 161 50.553 7.134 -4.138 1.00 0.00 C ATOM 552 O VAL A 161 51.404 6.461 -4.716 1.00 0.00 O ATOM 553 CB VAL A 161 48.860 6.508 -2.423 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.710 5.058 -2.895 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.480 6.592 -0.940 1.00 0.00 C ATOM 0 H VAL A 161 49.768 8.575 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 161 50.998 6.224 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 161 48.201 7.160 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.682 4.730 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 161 48.959 4.993 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.383 4.418 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.450 6.262 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.143 5.952 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.577 7.622 -0.597 1.00 0.00 H new ATOM 565 N ALA A 162 49.856 8.098 -4.747 1.00 0.00 N ATOM 566 CA ALA A 162 49.931 8.291 -6.196 1.00 0.00 C ATOM 567 C ALA A 162 51.370 8.587 -6.601 1.00 0.00 C ATOM 568 O ALA A 162 51.955 7.896 -7.440 1.00 0.00 O ATOM 569 CB ALA A 162 49.041 9.466 -6.608 1.00 0.00 C ATOM 0 H ALA A 162 49.239 8.751 -4.263 1.00 0.00 H new ATOM 0 HA ALA A 162 49.590 7.383 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 162 49.100 9.606 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 162 48.009 9.258 -6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.379 10.372 -6.106 1.00 0.00 H new ATOM 575 N LYS A 163 51.983 9.509 -5.856 1.00 0.00 N ATOM 576 CA LYS A 163 53.358 9.926 -6.137 1.00 0.00 C ATOM 577 C LYS A 163 54.290 8.711 -6.164 1.00 0.00 C ATOM 578 O LYS A 163 54.913 8.423 -7.186 1.00 0.00 O ATOM 579 CB LYS A 163 53.835 10.913 -5.068 1.00 0.00 C ATOM 580 CG LYS A 163 52.950 12.164 -5.087 1.00 0.00 C ATOM 581 CD LYS A 163 53.220 12.966 -6.363 1.00 0.00 C ATOM 582 CE LYS A 163 52.462 14.294 -6.302 1.00 0.00 C ATOM 583 NZ LYS A 163 52.754 15.090 -7.526 1.00 0.00 N ATOM 0 H LYS A 163 51.553 9.978 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 163 53.379 10.411 -7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.798 10.445 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.874 11.188 -5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.899 11.879 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 163 53.153 12.778 -4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 163 54.289 13.150 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 163 52.906 12.396 -7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 163 51.391 14.110 -6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 163 52.757 14.852 -5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 52.239 15.992 -7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 53.775 15.277 -7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 52.452 14.557 -8.367 1.00 0.00 H new ATOM 597 N LEU A 164 54.220 7.900 -5.108 1.00 0.00 N ATOM 598 CA LEU A 164 55.082 6.727 -4.981 1.00 0.00 C ATOM 599 C LEU A 164 54.856 5.734 -6.120 1.00 0.00 C ATOM 600 O LEU A 164 55.798 5.111 -6.592 1.00 0.00 O ATOM 601 CB LEU A 164 54.808 6.029 -3.647 1.00 0.00 C ATOM 602 CG LEU A 164 55.321 6.894 -2.494 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.826 6.317 -1.167 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.854 6.899 -2.501 1.00 0.00 C ATOM 0 H LEU A 164 53.575 8.035 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 164 56.116 7.069 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.739 5.851 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.297 5.055 -3.629 1.00 0.00 H new ATOM 0 HG LEU A 164 54.951 7.912 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.191 6.932 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.736 6.308 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.198 5.299 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.220 7.515 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.222 5.880 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.212 7.305 -3.447 1.00 0.00 H new ATOM 616 N ILE A 165 53.608 5.611 -6.575 1.00 0.00 N ATOM 617 CA ILE A 165 53.260 4.587 -7.562 1.00 0.00 C ATOM 618 C ILE A 165 54.014 4.830 -8.874 1.00 0.00 C ATOM 619 O ILE A 165 54.532 3.889 -9.480 1.00 0.00 O ATOM 620 CB ILE A 165 51.734 4.556 -7.770 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.104 3.944 -6.511 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.367 3.689 -8.987 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.582 4.105 -6.533 1.00 0.00 C ATOM 0 H ILE A 165 52.829 6.200 -6.280 1.00 0.00 H new ATOM 0 HA ILE A 165 53.565 3.608 -7.192 1.00 0.00 H new ATOM 0 HB ILE A 165 51.367 5.567 -7.946 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.362 2.887 -6.447 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.513 4.426 -5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.285 3.681 -9.115 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.835 4.100 -9.881 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.721 2.670 -8.828 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.156 3.664 -5.631 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.329 5.164 -6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.175 3.601 -7.410 1.00 0.00 H new ATOM 635 N GLY A 166 54.165 6.098 -9.253 1.00 0.00 N ATOM 636 CA GLY A 166 54.976 6.426 -10.421 1.00 0.00 C ATOM 637 C GLY A 166 56.444 6.200 -10.089 1.00 0.00 C ATOM 638 O GLY A 166 57.168 5.502 -10.807 1.00 0.00 O ATOM 0 H GLY A 166 53.746 6.898 -8.780 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.683 5.806 -11.268 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.812 7.463 -10.713 1.00 0.00 H new ATOM 642 N TYR A 167 56.859 6.785 -8.968 1.00 0.00 N ATOM 643 CA TYR A 167 58.209 6.599 -8.436 1.00 0.00 C ATOM 644 C TYR A 167 58.501 5.129 -8.100 1.00 0.00 C ATOM 645 O TYR A 167 59.652 4.755 -7.893 1.00 0.00 O ATOM 646 CB TYR A 167 58.357 7.492 -7.194 1.00 0.00 C ATOM 647 CG TYR A 167 59.730 7.549 -6.582 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.783 8.201 -7.266 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.947 7.011 -5.291 1.00 0.00 C ATOM 650 CE1 TYR A 167 62.061 8.304 -6.666 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.223 7.111 -4.689 1.00 0.00 C ATOM 652 CZ TYR A 167 62.283 7.757 -5.379 1.00 0.00 C ATOM 653 OH TYR A 167 63.533 7.855 -4.800 1.00 0.00 O ATOM 0 H TYR A 167 56.272 7.399 -8.404 1.00 0.00 H new ATOM 0 HA TYR A 167 58.937 6.884 -9.195 1.00 0.00 H new ATOM 0 HB2 TYR A 167 58.058 8.505 -7.462 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.657 7.143 -6.435 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.612 8.620 -8.246 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.139 6.524 -4.766 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.866 8.799 -7.189 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.391 6.697 -3.706 1.00 0.00 H new ATOM 0 HH TYR A 167 63.831 8.788 -4.820 1.00 0.00 H new ATOM 663 N LYS A 168 57.449 4.317 -7.991 1.00 0.00 N ATOM 664 CA LYS A 168 57.607 2.880 -7.761 1.00 0.00 C ATOM 665 C LYS A 168 58.024 2.143 -9.037 1.00 0.00 C ATOM 666 O LYS A 168 58.960 1.342 -9.022 1.00 0.00 O ATOM 667 CB LYS A 168 56.282 2.304 -7.239 1.00 0.00 C ATOM 668 CG LYS A 168 56.254 2.372 -5.701 1.00 0.00 C ATOM 669 CD LYS A 168 54.847 2.043 -5.162 1.00 0.00 C ATOM 670 CE LYS A 168 54.369 0.668 -5.652 1.00 0.00 C ATOM 671 NZ LYS A 168 53.078 0.823 -6.381 1.00 0.00 N ATOM 0 H LYS A 168 56.480 4.629 -8.058 1.00 0.00 H new ATOM 0 HA LYS A 168 58.398 2.738 -7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.443 2.864 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.169 1.271 -7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 168 56.979 1.670 -5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 168 56.551 3.368 -5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 168 54.860 2.059 -4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 168 54.143 2.811 -5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 168 55.118 0.223 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 168 54.243 -0.008 -4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 52.787 -0.096 -6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 52.348 1.167 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 53.197 1.506 -7.156 1.00 0.00 H new ATOM 685 N GLN A 169 57.325 2.424 -10.136 1.00 0.00 N ATOM 686 CA GLN A 169 57.441 1.594 -11.338 1.00 0.00 C ATOM 687 C GLN A 169 58.772 1.810 -12.074 1.00 0.00 C ATOM 688 O GLN A 169 59.467 0.848 -12.403 1.00 0.00 O ATOM 689 CB GLN A 169 56.284 1.902 -12.289 1.00 0.00 C ATOM 690 CG GLN A 169 54.965 1.463 -11.649 1.00 0.00 C ATOM 691 CD GLN A 169 53.796 1.815 -12.564 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.826 2.838 -13.249 1.00 0.00 O ATOM 693 NE2 GLN A 169 52.759 1.023 -12.615 1.00 0.00 N ATOM 0 H GLN A 169 56.680 3.209 -10.221 1.00 0.00 H new ATOM 0 HA GLN A 169 57.406 0.553 -11.016 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.256 2.969 -12.510 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.431 1.384 -13.237 1.00 0.00 H new ATOM 0 HG2 GLN A 169 54.981 0.389 -11.464 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.840 1.951 -10.683 1.00 0.00 H new ATOM 0 HE21 GLN A 169 52.736 0.176 -12.047 1.00 0.00 H new ATOM 0 HE22 GLN A 169 51.972 1.251 -13.223 1.00 0.00 H new ATOM 702 N ASN A 170 59.119 3.075 -12.321 1.00 0.00 N ATOM 703 CA ASN A 170 60.223 3.388 -13.249 1.00 0.00 C ATOM 704 C ASN A 170 61.570 3.681 -12.551 1.00 0.00 C ATOM 705 O ASN A 170 62.614 3.246 -13.040 1.00 0.00 O ATOM 706 CB ASN A 170 59.836 4.596 -14.103 1.00 0.00 C ATOM 707 CG ASN A 170 60.728 4.670 -15.337 1.00 0.00 C ATOM 708 OD1 ASN A 170 61.769 5.327 -15.313 1.00 0.00 O ATOM 709 ND2 ASN A 170 60.382 4.031 -16.421 1.00 0.00 N ATOM 0 H ASN A 170 58.666 3.889 -11.904 1.00 0.00 H new ATOM 0 HA ASN A 170 60.373 2.495 -13.856 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.791 4.519 -14.404 1.00 0.00 H new ATOM 0 HB3 ASN A 170 59.933 5.511 -13.519 1.00 0.00 H new ATOM 0 HD21 ASN A 170 60.974 4.075 -17.250 1.00 0.00 H new ATOM 0 HD22 ASN A 170 59.519 3.487 -16.439 1.00 0.00 H new ATOM 716 N PRO A 171 61.580 4.382 -11.437 1.00 0.00 N ATOM 717 CA PRO A 171 62.834 4.986 -10.899 1.00 0.00 C ATOM 718 C PRO A 171 63.466 4.206 -9.746 1.00 0.00 C ATOM 719 O PRO A 171 63.103 4.386 -8.583 1.00 0.00 O ATOM 720 CB PRO A 171 62.413 6.378 -10.456 1.00 0.00 C ATOM 721 CG PRO A 171 60.977 6.262 -10.095 1.00 0.00 C ATOM 722 CD PRO A 171 60.422 4.994 -10.763 1.00 0.00 C ATOM 0 HA PRO A 171 63.615 4.985 -11.659 1.00 0.00 H new ATOM 0 HB2 PRO A 171 63.005 6.715 -9.605 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.559 7.105 -11.255 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.859 6.206 -9.013 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.427 7.141 -10.430 1.00 0.00 H new ATOM 0 HD2 PRO A 171 59.990 4.316 -10.027 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.633 5.236 -11.475 1.00 0.00 H new ATOM 730 N GLN A 172 64.460 3.372 -10.073 1.00 0.00 N ATOM 731 CA GLN A 172 65.260 2.663 -9.051 1.00 0.00 C ATOM 732 C GLN A 172 65.740 3.590 -7.905 1.00 0.00 C ATOM 733 O GLN A 172 66.143 3.111 -6.840 1.00 0.00 O ATOM 734 CB GLN A 172 66.478 2.008 -9.708 1.00 0.00 C ATOM 735 CG GLN A 172 66.013 0.984 -10.749 1.00 0.00 C ATOM 736 CD GLN A 172 65.383 -0.219 -10.055 1.00 0.00 C ATOM 737 OE1 GLN A 172 65.954 -0.762 -9.110 1.00 0.00 O ATOM 738 NE2 GLN A 172 64.231 -0.671 -10.471 1.00 0.00 N ATOM 0 H GLN A 172 64.734 3.168 -11.034 1.00 0.00 H new ATOM 0 HA GLN A 172 64.606 1.911 -8.610 1.00 0.00 H new ATOM 0 HB2 GLN A 172 67.100 2.767 -10.183 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.093 1.519 -8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.291 1.443 -11.425 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.859 0.662 -11.357 1.00 0.00 H new ATOM 0 HE21 GLN A 172 63.759 -0.220 -11.255 1.00 0.00 H new ATOM 0 HE22 GLN A 172 63.803 -1.475 -10.012 1.00 0.00 H new ATOM 747 N ALA A 173 65.625 4.910 -8.098 1.00 0.00 N ATOM 748 CA ALA A 173 66.135 5.885 -7.135 1.00 0.00 C ATOM 749 C ALA A 173 65.487 5.730 -5.745 1.00 0.00 C ATOM 750 O ALA A 173 65.960 6.330 -4.780 1.00 0.00 O ATOM 751 CB ALA A 173 65.842 7.292 -7.655 1.00 0.00 C ATOM 0 H ALA A 173 65.181 5.325 -8.917 1.00 0.00 H new ATOM 0 HA ALA A 173 67.206 5.714 -7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.218 8.028 -6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.333 7.433 -8.618 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.766 7.419 -7.774 1.00 0.00 H new ATOM 757 N ILE A 174 64.441 4.892 -5.626 1.00 0.00 N ATOM 758 CA ILE A 174 63.685 4.795 -4.369 1.00 0.00 C ATOM 759 C ILE A 174 64.605 4.408 -3.208 1.00 0.00 C ATOM 760 O ILE A 174 64.370 4.802 -2.067 1.00 0.00 O ATOM 761 CB ILE A 174 62.564 3.750 -4.485 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.735 4.013 -5.770 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.669 3.831 -3.237 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.458 3.161 -5.815 1.00 0.00 C ATOM 0 H ILE A 174 64.106 4.283 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 174 63.249 5.775 -4.174 1.00 0.00 H new ATOM 0 HB ILE A 174 62.993 2.750 -4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.468 5.069 -5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.346 3.797 -6.646 1.00 0.00 H new ATOM 0 HG21 ILE A 174 60.871 3.092 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.266 3.630 -2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.234 4.828 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.908 3.377 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.725 2.104 -5.793 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.833 3.396 -4.953 1.00 0.00 H new ATOM 776 N GLY A 175 65.666 3.653 -3.515 1.00 0.00 N ATOM 777 CA GLY A 175 66.556 3.128 -2.479 1.00 0.00 C ATOM 778 C GLY A 175 67.117 4.249 -1.596 1.00 0.00 C ATOM 779 O GLY A 175 67.437 4.028 -0.427 1.00 0.00 O ATOM 0 H GLY A 175 65.926 3.394 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 175 66.013 2.414 -1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.378 2.585 -2.946 1.00 0.00 H new ATOM 783 N GLN A 176 67.231 5.451 -2.167 1.00 0.00 N ATOM 784 CA GLN A 176 67.757 6.598 -1.434 1.00 0.00 C ATOM 785 C GLN A 176 66.649 7.323 -0.674 1.00 0.00 C ATOM 786 O GLN A 176 66.883 7.881 0.399 1.00 0.00 O ATOM 787 CB GLN A 176 68.425 7.573 -2.408 1.00 0.00 C ATOM 788 CG GLN A 176 69.588 6.876 -3.119 1.00 0.00 C ATOM 789 CD GLN A 176 70.732 6.634 -2.140 1.00 0.00 C ATOM 790 OE1 GLN A 176 71.127 7.542 -1.408 1.00 0.00 O ATOM 791 NE2 GLN A 176 71.292 5.458 -2.083 1.00 0.00 N ATOM 0 H GLN A 176 66.966 5.652 -3.131 1.00 0.00 H new ATOM 0 HA GLN A 176 68.488 6.232 -0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.698 7.927 -3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.787 8.449 -1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 176 69.252 5.928 -3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 176 69.935 7.488 -3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 176 70.964 4.707 -2.690 1.00 0.00 H new ATOM 0 HE22 GLN A 176 72.058 5.289 -1.431 1.00 0.00 H new ATOM 800 N ASP A 177 65.440 7.305 -1.240 1.00 0.00 N ATOM 801 CA ASP A 177 64.337 8.066 -0.668 1.00 0.00 C ATOM 802 C ASP A 177 63.800 7.398 0.593 1.00 0.00 C ATOM 803 O ASP A 177 63.125 8.049 1.389 1.00 0.00 O ATOM 804 CB ASP A 177 63.204 8.256 -1.691 1.00 0.00 C ATOM 805 CG ASP A 177 63.405 9.545 -2.502 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.272 10.332 -2.150 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.664 9.741 -3.451 1.00 0.00 O ATOM 0 H ASP A 177 65.206 6.779 -2.082 1.00 0.00 H new ATOM 0 HA ASP A 177 64.726 9.048 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 177 63.170 7.400 -2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.245 8.293 -1.174 1.00 0.00 H new ATOM 812 N LEU A 178 64.074 6.098 0.780 1.00 0.00 N ATOM 813 CA LEU A 178 63.693 5.427 2.029 1.00 0.00 C ATOM 814 C LEU A 178 64.276 6.194 3.228 1.00 0.00 C ATOM 815 O LEU A 178 63.576 6.504 4.191 1.00 0.00 O ATOM 816 CB LEU A 178 64.223 3.981 2.076 1.00 0.00 C ATOM 817 CG LEU A 178 63.922 3.188 0.792 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.699 1.873 0.850 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.429 2.859 0.699 1.00 0.00 C ATOM 0 H LEU A 178 64.547 5.503 0.099 1.00 0.00 H new ATOM 0 HA LEU A 178 62.604 5.408 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.300 4.000 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.780 3.465 2.928 1.00 0.00 H new ATOM 0 HG LEU A 178 64.211 3.785 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.501 1.293 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.766 2.084 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.385 1.303 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.236 2.298 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.134 2.260 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.853 3.784 0.686 1.00 0.00 H new ATOM 831 N PHE A 179 65.576 6.488 3.136 1.00 0.00 N ATOM 832 CA PHE A 179 66.276 7.278 4.152 1.00 0.00 C ATOM 833 C PHE A 179 65.529 8.580 4.476 1.00 0.00 C ATOM 834 O PHE A 179 65.557 9.052 5.614 1.00 0.00 O ATOM 835 CB PHE A 179 67.683 7.607 3.654 1.00 0.00 C ATOM 836 CG PHE A 179 68.578 6.396 3.536 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.286 5.926 4.668 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.707 5.730 2.293 1.00 0.00 C ATOM 839 CE1 PHE A 179 70.126 4.791 4.558 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.546 4.595 2.182 1.00 0.00 C ATOM 841 CZ PHE A 179 70.255 4.125 3.314 1.00 0.00 C ATOM 0 H PHE A 179 66.168 6.188 2.362 1.00 0.00 H new ATOM 0 HA PHE A 179 66.325 6.686 5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.611 8.092 2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 179 68.143 8.324 4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.186 6.433 5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 179 68.165 6.088 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.668 4.434 5.421 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.645 4.088 1.234 1.00 0.00 H new ATOM 0 HZ PHE A 179 70.894 3.259 3.229 1.00 0.00 H new ATOM 851 N THR A 180 64.868 9.148 3.470 1.00 0.00 N ATOM 852 CA THR A 180 64.101 10.385 3.657 1.00 0.00 C ATOM 853 C THR A 180 62.648 10.083 4.058 1.00 0.00 C ATOM 854 O THR A 180 61.987 10.907 4.691 1.00 0.00 O ATOM 855 CB THR A 180 64.113 11.220 2.369 1.00 0.00 C ATOM 856 OG1 THR A 180 63.332 10.570 1.376 1.00 0.00 O ATOM 857 CG2 THR A 180 65.550 11.380 1.863 1.00 0.00 C ATOM 0 H THR A 180 64.846 8.777 2.520 1.00 0.00 H new ATOM 0 HA THR A 180 64.573 10.949 4.461 1.00 0.00 H new ATOM 0 HB THR A 180 63.695 12.205 2.578 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.344 9.603 1.532 1.00 0.00 H new ATOM 0 HG21 THR A 180 65.550 11.974 0.949 1.00 0.00 H new ATOM 0 HG22 THR A 180 66.149 11.883 2.622 1.00 0.00 H new ATOM 0 HG23 THR A 180 65.975 10.397 1.658 1.00 0.00 H new ATOM 865 N ASP A 181 62.166 8.895 3.683 1.00 0.00 N ATOM 866 CA ASP A 181 60.787 8.505 3.964 1.00 0.00 C ATOM 867 C ASP A 181 60.737 7.428 5.057 1.00 0.00 C ATOM 868 O ASP A 181 61.125 6.285 4.812 1.00 0.00 O ATOM 869 CB ASP A 181 60.122 7.974 2.694 1.00 0.00 C ATOM 870 CG ASP A 181 58.602 8.152 2.763 1.00 0.00 C ATOM 871 OD1 ASP A 181 58.100 8.491 3.825 1.00 0.00 O ATOM 872 OD2 ASP A 181 57.960 7.952 1.746 1.00 0.00 O ATOM 0 H ASP A 181 62.711 8.190 3.186 1.00 0.00 H new ATOM 0 HA ASP A 181 60.250 9.386 4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.516 8.500 1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 181 60.364 6.919 2.565 1.00 0.00 H new ATOM 877 N PRO A 182 60.240 7.750 6.236 1.00 0.00 N ATOM 878 CA PRO A 182 60.229 6.776 7.375 1.00 0.00 C ATOM 879 C PRO A 182 59.435 5.508 7.056 1.00 0.00 C ATOM 880 O PRO A 182 59.967 4.399 7.135 1.00 0.00 O ATOM 881 CB PRO A 182 59.579 7.547 8.534 1.00 0.00 C ATOM 882 CG PRO A 182 59.692 8.988 8.172 1.00 0.00 C ATOM 883 CD PRO A 182 59.672 9.049 6.650 1.00 0.00 C ATOM 0 HA PRO A 182 61.236 6.428 7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 182 58.536 7.256 8.662 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.086 7.339 9.476 1.00 0.00 H new ATOM 0 HG2 PRO A 182 58.867 9.561 8.595 1.00 0.00 H new ATOM 0 HG3 PRO A 182 60.613 9.417 8.566 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.660 9.182 6.269 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.266 9.883 6.276 1.00 0.00 H new ATOM 891 N ARG A 183 58.162 5.679 6.692 1.00 0.00 N ATOM 892 CA ARG A 183 57.256 4.536 6.547 1.00 0.00 C ATOM 893 C ARG A 183 57.688 3.604 5.415 1.00 0.00 C ATOM 894 O ARG A 183 57.590 2.387 5.557 1.00 0.00 O ATOM 895 CB ARG A 183 55.820 5.002 6.296 1.00 0.00 C ATOM 896 CG ARG A 183 55.363 5.903 7.447 1.00 0.00 C ATOM 897 CD ARG A 183 53.891 6.264 7.253 1.00 0.00 C ATOM 898 NE ARG A 183 53.260 6.581 8.535 1.00 0.00 N ATOM 899 CZ ARG A 183 53.497 7.726 9.191 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.347 8.615 8.731 1.00 0.00 N ATOM 901 NH2 ARG A 183 52.867 7.960 10.308 1.00 0.00 N ATOM 0 H ARG A 183 57.739 6.586 6.494 1.00 0.00 H new ATOM 0 HA ARG A 183 57.300 3.983 7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.763 5.544 5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.157 4.141 6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.501 5.393 8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 183 55.970 6.808 7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.807 7.118 6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.367 5.433 6.780 1.00 0.00 H new ATOM 0 HE ARG A 183 52.615 5.905 8.945 1.00 0.00 H new ATOM 0 HH11 ARG A 183 54.843 8.442 7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.511 9.479 9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.204 7.276 10.672 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.037 8.827 10.818 1.00 0.00 H new ATOM 915 N LEU A 184 58.211 4.164 4.314 1.00 0.00 N ATOM 916 CA LEU A 184 58.612 3.342 3.155 1.00 0.00 C ATOM 917 C LEU A 184 59.513 2.184 3.597 1.00 0.00 C ATOM 918 O LEU A 184 59.412 1.069 3.081 1.00 0.00 O ATOM 919 CB LEU A 184 59.355 4.195 2.110 1.00 0.00 C ATOM 920 CG LEU A 184 58.356 4.818 1.124 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.074 5.854 0.248 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.760 3.724 0.224 1.00 0.00 C ATOM 0 H LEU A 184 58.366 5.166 4.199 1.00 0.00 H new ATOM 0 HA LEU A 184 57.704 2.939 2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 184 59.922 4.981 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.073 3.577 1.570 1.00 0.00 H new ATOM 0 HG LEU A 184 57.557 5.302 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.363 6.295 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.494 6.636 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 184 59.875 5.368 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 184 57.052 4.172 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.559 3.236 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.245 2.987 0.840 1.00 0.00 H new ATOM 934 N MET A 185 60.345 2.442 4.604 1.00 0.00 N ATOM 935 CA MET A 185 61.229 1.410 5.129 1.00 0.00 C ATOM 936 C MET A 185 60.430 0.302 5.821 1.00 0.00 C ATOM 937 O MET A 185 60.646 -0.874 5.554 1.00 0.00 O ATOM 938 CB MET A 185 62.236 2.020 6.099 1.00 0.00 C ATOM 939 CG MET A 185 63.258 2.836 5.312 1.00 0.00 C ATOM 940 SD MET A 185 64.628 3.303 6.396 1.00 0.00 S ATOM 941 CE MET A 185 65.853 3.571 5.091 1.00 0.00 C ATOM 0 H MET A 185 60.424 3.347 5.067 1.00 0.00 H new ATOM 0 HA MET A 185 61.768 0.967 4.292 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.724 2.655 6.822 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.737 1.234 6.664 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.631 2.255 4.469 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.786 3.728 4.900 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.850 3.365 5.480 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.645 2.904 4.254 1.00 0.00 H new ATOM 0 HE3 MET A 185 65.803 4.606 4.752 1.00 0.00 H new ATOM 951 N THR A 186 59.415 0.680 6.602 1.00 0.00 N ATOM 952 CA THR A 186 58.594 -0.308 7.318 1.00 0.00 C ATOM 953 C THR A 186 57.929 -1.267 6.320 1.00 0.00 C ATOM 954 O THR A 186 57.823 -2.470 6.565 1.00 0.00 O ATOM 955 CB THR A 186 57.523 0.419 8.150 1.00 0.00 C ATOM 956 OG1 THR A 186 58.158 1.354 9.011 1.00 0.00 O ATOM 957 CG2 THR A 186 56.725 -0.583 8.992 1.00 0.00 C ATOM 0 H THR A 186 59.142 1.651 6.756 1.00 0.00 H new ATOM 0 HA THR A 186 59.232 -0.889 7.984 1.00 0.00 H new ATOM 0 HB THR A 186 56.839 0.933 7.475 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.480 1.822 9.543 1.00 0.00 H new ATOM 0 HG21 THR A 186 55.972 -0.051 9.574 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.235 -1.301 8.335 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.400 -1.110 9.667 1.00 0.00 H new ATOM 965 N ILE A 187 57.514 -0.714 5.178 1.00 0.00 N ATOM 966 CA ILE A 187 56.990 -1.522 4.067 1.00 0.00 C ATOM 967 C ILE A 187 58.019 -2.584 3.658 1.00 0.00 C ATOM 968 O ILE A 187 57.688 -3.757 3.466 1.00 0.00 O ATOM 969 CB ILE A 187 56.687 -0.619 2.853 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.762 0.538 3.258 1.00 0.00 C ATOM 971 CG2 ILE A 187 55.991 -1.434 1.760 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.657 1.550 2.110 1.00 0.00 C ATOM 0 H ILE A 187 57.529 0.289 4.995 1.00 0.00 H new ATOM 0 HA ILE A 187 56.073 -2.011 4.396 1.00 0.00 H new ATOM 0 HB ILE A 187 57.631 -0.219 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.773 0.154 3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 187 56.148 1.028 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 187 55.780 -0.791 0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 187 56.640 -2.252 1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 187 55.057 -1.840 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 187 54.999 2.368 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.647 1.945 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.250 1.057 1.227 1.00 0.00 H new ATOM 984 N MET A 188 59.269 -2.150 3.555 1.00 0.00 N ATOM 985 CA MET A 188 60.361 -3.039 3.163 1.00 0.00 C ATOM 986 C MET A 188 60.495 -4.201 4.146 1.00 0.00 C ATOM 987 O MET A 188 60.698 -5.344 3.748 1.00 0.00 O ATOM 988 CB MET A 188 61.672 -2.259 3.129 1.00 0.00 C ATOM 989 CG MET A 188 61.543 -1.047 2.185 1.00 0.00 C ATOM 990 SD MET A 188 62.685 -1.203 0.790 1.00 0.00 S ATOM 991 CE MET A 188 61.552 -2.042 -0.347 1.00 0.00 C ATOM 0 H MET A 188 59.554 -1.188 3.737 1.00 0.00 H new ATOM 0 HA MET A 188 60.139 -3.438 2.173 1.00 0.00 H new ATOM 0 HB2 MET A 188 61.930 -1.922 4.133 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.481 -2.907 2.793 1.00 0.00 H new ATOM 0 HG2 MET A 188 60.519 -0.972 1.818 1.00 0.00 H new ATOM 0 HG3 MET A 188 61.753 -0.128 2.733 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.637 -1.598 -1.339 1.00 0.00 H new ATOM 0 HE2 MET A 188 61.807 -3.100 -0.400 1.00 0.00 H new ATOM 0 HE3 MET A 188 60.529 -1.933 0.013 1.00 0.00 H new ATOM 1001 N ALA A 189 60.373 -3.886 5.431 1.00 0.00 N ATOM 1002 CA ALA A 189 60.452 -4.894 6.498 1.00 0.00 C ATOM 1003 C ALA A 189 59.464 -6.047 6.282 1.00 0.00 C ATOM 1004 O ALA A 189 59.866 -7.208 6.228 1.00 0.00 O ATOM 1005 CB ALA A 189 60.167 -4.234 7.850 1.00 0.00 C ATOM 0 H ALA A 189 60.218 -2.935 5.767 1.00 0.00 H new ATOM 0 HA ALA A 189 61.459 -5.310 6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 189 60.226 -4.983 8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 189 60.903 -3.452 8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 189 59.169 -3.797 7.838 1.00 0.00 H new ATOM 1011 N THR A 190 58.177 -5.724 6.116 1.00 0.00 N ATOM 1012 CA THR A 190 57.147 -6.760 5.911 1.00 0.00 C ATOM 1013 C THR A 190 57.514 -7.672 4.731 1.00 0.00 C ATOM 1014 O THR A 190 57.455 -8.897 4.836 1.00 0.00 O ATOM 1015 CB THR A 190 55.783 -6.105 5.623 1.00 0.00 C ATOM 1016 OG1 THR A 190 55.981 -4.858 4.974 1.00 0.00 O ATOM 1017 CG2 THR A 190 55.000 -5.888 6.921 1.00 0.00 C ATOM 0 H THR A 190 57.822 -4.768 6.119 1.00 0.00 H new ATOM 0 HA THR A 190 57.089 -7.356 6.822 1.00 0.00 H new ATOM 0 HB THR A 190 55.209 -6.770 4.978 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.762 -4.916 4.384 1.00 0.00 H new ATOM 0 HG21 THR A 190 54.040 -5.424 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.833 -6.848 7.410 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.569 -5.237 7.585 1.00 0.00 H new ATOM 1025 N LEU A 191 57.888 -7.050 3.618 1.00 0.00 N ATOM 1026 CA LEU A 191 58.261 -7.790 2.407 1.00 0.00 C ATOM 1027 C LEU A 191 59.439 -8.737 2.665 1.00 0.00 C ATOM 1028 O LEU A 191 59.350 -9.940 2.414 1.00 0.00 O ATOM 1029 CB LEU A 191 58.651 -6.800 1.313 1.00 0.00 C ATOM 1030 CG LEU A 191 57.402 -6.074 0.805 1.00 0.00 C ATOM 1031 CD1 LEU A 191 57.786 -4.668 0.336 1.00 0.00 C ATOM 1032 CD2 LEU A 191 56.801 -6.861 -0.364 1.00 0.00 C ATOM 0 H LEU A 191 57.942 -6.036 3.524 1.00 0.00 H new ATOM 0 HA LEU A 191 57.403 -8.387 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.370 -6.079 1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 191 59.138 -7.325 0.491 1.00 0.00 H new ATOM 0 HG LEU A 191 56.668 -5.998 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 191 56.898 -4.150 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.217 -4.112 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.517 -4.740 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 191 55.911 -6.348 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.533 -6.934 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.530 -7.862 -0.028 1.00 0.00 H new ATOM 1044 N MET A 192 60.531 -8.177 3.170 1.00 0.00 N ATOM 1045 CA MET A 192 61.766 -8.931 3.374 1.00 0.00 C ATOM 1046 C MET A 192 61.664 -9.909 4.546 1.00 0.00 C ATOM 1047 O MET A 192 62.388 -10.905 4.592 1.00 0.00 O ATOM 1048 CB MET A 192 62.908 -7.961 3.634 1.00 0.00 C ATOM 1049 CG MET A 192 63.280 -7.259 2.324 1.00 0.00 C ATOM 1050 SD MET A 192 64.363 -8.332 1.347 1.00 0.00 S ATOM 1051 CE MET A 192 65.824 -8.219 2.409 1.00 0.00 C ATOM 0 H MET A 192 60.588 -7.197 3.448 1.00 0.00 H new ATOM 0 HA MET A 192 61.948 -9.514 2.471 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.614 -7.226 4.383 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.771 -8.495 4.032 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.379 -7.022 1.758 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.781 -6.314 2.535 1.00 0.00 H new ATOM 0 HE1 MET A 192 66.696 -7.972 1.803 1.00 0.00 H new ATOM 0 HE2 MET A 192 65.670 -7.442 3.158 1.00 0.00 H new ATOM 0 HE3 MET A 192 65.987 -9.175 2.906 1.00 0.00 H new ATOM 1061 N GLY A 193 60.764 -9.626 5.484 1.00 0.00 N ATOM 1062 CA GLY A 193 60.727 -10.351 6.750 1.00 0.00 C ATOM 1063 C GLY A 193 59.901 -11.633 6.632 1.00 0.00 C ATOM 1064 O GLY A 193 59.825 -12.419 7.576 1.00 0.00 O ATOM 0 H GLY A 193 60.052 -8.901 5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 193 61.742 -10.597 7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.303 -9.713 7.525 1.00 0.00 H new