USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=12 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 148:sc= 1.17 USER MOD Set 1.2: A 172 GLN : amide:sc= 0.937 K(o=2.1,f=-1.3) USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 140 ASN : amide:sc= -0.0297 K(o=-0.03,f=-0.94) USER MOD Single : A 144 ASN : amide:sc= -0.172 K(o=-0.17,f=-0.83) 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= -0.16 X(o=-0.16,f=-0.16) USER MOD Single : A 150 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00233) USER MOD Single : A 151 THR OG1 : rot -140:sc= -0.942 USER MOD Single : A 152 SER OG : rot -94:sc= 1.27 USER MOD Single : A 154 MET CE :methyl -159:sc= -0.742 (180deg=-1.98!) USER MOD Single : A 155 MET CE :methyl 180:sc= -0.0142 (180deg=-0.0142) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.53) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 58:sc= -1.94 USER MOD Single : A 168 LYS NZ :NH3+ 180:sc=-0.00468 (180deg=-0.00468) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 176 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 180 THR OG1 : rot -47:sc= 1.26 USER MOD Single : A 185 MET CE :methyl -132:sc= -0.575 (180deg=-1.41) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl 169:sc= -6.43! (180deg=-7.26!) USER MOD Single : A 190 THR OG1 : rot 40:sc= 0.994 USER MOD Single : A 192 MET CE :methyl -142:sc= -0.355 (180deg=-1.79!) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 63.025 -1.164 -5.156 1.00 0.00 N ATOM 92 CA THR A 133 61.926 -0.864 -6.070 1.00 0.00 C ATOM 93 C THR A 133 61.251 -2.123 -6.582 1.00 0.00 C ATOM 94 O THR A 133 60.044 -2.138 -6.749 1.00 0.00 O ATOM 95 CB THR A 133 62.453 -0.043 -7.245 1.00 0.00 C ATOM 96 OG1 THR A 133 63.474 -0.771 -7.912 1.00 0.00 O ATOM 97 CG2 THR A 133 63.018 1.275 -6.714 1.00 0.00 C ATOM 0 HA THR A 133 61.178 -0.294 -5.519 1.00 0.00 H new ATOM 0 HB THR A 133 61.645 0.162 -7.948 1.00 0.00 H new ATOM 0 HG1 THR A 133 63.460 -0.554 -8.868 1.00 0.00 H new ATOM 0 HG21 THR A 133 63.397 1.869 -7.545 1.00 0.00 H new ATOM 0 HG22 THR A 133 62.231 1.828 -6.202 1.00 0.00 H new ATOM 0 HG23 THR A 133 63.829 1.068 -6.016 1.00 0.00 H new ATOM 105 N GLN A 134 62.014 -3.200 -6.745 1.00 0.00 N ATOM 106 CA GLN A 134 61.465 -4.437 -7.308 1.00 0.00 C ATOM 107 C GLN A 134 60.225 -4.899 -6.537 1.00 0.00 C ATOM 108 O GLN A 134 59.203 -5.229 -7.144 1.00 0.00 O ATOM 109 CB GLN A 134 62.526 -5.539 -7.289 1.00 0.00 C ATOM 110 CG GLN A 134 63.669 -5.164 -8.236 1.00 0.00 C ATOM 111 CD GLN A 134 64.761 -6.228 -8.187 1.00 0.00 C ATOM 112 OE1 GLN A 134 65.008 -6.820 -7.136 1.00 0.00 O ATOM 113 NE2 GLN A 134 65.434 -6.509 -9.270 1.00 0.00 N ATOM 0 H GLN A 134 63.003 -3.246 -6.500 1.00 0.00 H new ATOM 0 HA GLN A 134 61.169 -4.233 -8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 134 62.908 -5.674 -6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.085 -6.488 -7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.291 -5.066 -9.254 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.082 -4.195 -7.955 1.00 0.00 H new ATOM 0 HE21 GLN A 134 65.228 -6.018 -10.140 1.00 0.00 H new ATOM 0 HE22 GLN A 134 66.165 -7.220 -9.246 1.00 0.00 H new ATOM 122 N LEU A 135 60.283 -4.831 -5.208 1.00 0.00 N ATOM 123 CA LEU A 135 59.177 -5.315 -4.384 1.00 0.00 C ATOM 124 C LEU A 135 57.891 -4.526 -4.637 1.00 0.00 C ATOM 125 O LEU A 135 56.860 -5.106 -4.986 1.00 0.00 O ATOM 126 CB LEU A 135 59.544 -5.173 -2.911 1.00 0.00 C ATOM 127 CG LEU A 135 60.748 -6.049 -2.581 1.00 0.00 C ATOM 128 CD1 LEU A 135 61.244 -5.700 -1.177 1.00 0.00 C ATOM 129 CD2 LEU A 135 60.330 -7.519 -2.628 1.00 0.00 C ATOM 0 H LEU A 135 61.072 -4.451 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 135 59.003 -6.358 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 135 59.770 -4.131 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 135 58.696 -5.458 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 135 61.545 -5.878 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 135 62.105 -6.321 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 135 61.533 -4.649 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 135 60.448 -5.881 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 135 61.188 -8.149 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 135 59.539 -7.696 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.965 -7.762 -3.626 1.00 0.00 H new ATOM 141 N PHE A 136 57.959 -3.204 -4.471 1.00 0.00 N ATOM 142 CA PHE A 136 56.820 -2.339 -4.793 1.00 0.00 C ATOM 143 C PHE A 136 56.635 -2.034 -6.280 1.00 0.00 C ATOM 144 O PHE A 136 55.499 -1.861 -6.724 1.00 0.00 O ATOM 145 CB PHE A 136 56.726 -1.096 -3.888 1.00 0.00 C ATOM 146 CG PHE A 136 58.014 -0.557 -3.313 1.00 0.00 C ATOM 147 CD1 PHE A 136 58.993 0.074 -4.111 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.202 -0.662 -1.916 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.165 0.591 -3.497 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.367 -0.149 -1.311 1.00 0.00 C ATOM 151 CZ PHE A 136 60.349 0.480 -2.102 1.00 0.00 C ATOM 0 H PHE A 136 58.780 -2.712 -4.120 1.00 0.00 H new ATOM 0 HA PHE A 136 55.949 -2.948 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.252 -0.298 -4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 136 56.060 -1.333 -3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.852 0.163 -5.178 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.448 -1.139 -1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.920 1.072 -4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.507 -0.238 -0.244 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.242 0.877 -1.641 1.00 0.00 H new ATOM 161 N ALA A 137 57.705 -2.055 -7.067 1.00 0.00 N ATOM 162 CA ALA A 137 57.567 -1.859 -8.520 1.00 0.00 C ATOM 163 C ALA A 137 56.646 -2.928 -9.124 1.00 0.00 C ATOM 164 O ALA A 137 56.038 -2.713 -10.173 1.00 0.00 O ATOM 165 CB ALA A 137 58.933 -1.912 -9.211 1.00 0.00 C ATOM 0 H ALA A 137 58.660 -2.202 -6.741 1.00 0.00 H new ATOM 0 HA ALA A 137 57.128 -0.875 -8.682 1.00 0.00 H new ATOM 0 HB1 ALA A 137 58.804 -1.765 -10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.574 -1.126 -8.811 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.394 -2.883 -9.031 1.00 0.00 H new ATOM 171 N ASP A 138 56.554 -4.080 -8.450 1.00 0.00 N ATOM 172 CA ASP A 138 55.532 -5.087 -8.768 1.00 0.00 C ATOM 173 C ASP A 138 54.127 -4.458 -8.726 1.00 0.00 C ATOM 174 O ASP A 138 53.884 -3.541 -7.941 1.00 0.00 O ATOM 175 CB ASP A 138 55.615 -6.220 -7.726 1.00 0.00 C ATOM 176 CG ASP A 138 55.190 -7.571 -8.311 1.00 0.00 C ATOM 177 OD1 ASP A 138 55.026 -7.665 -9.513 1.00 0.00 O ATOM 178 OD2 ASP A 138 55.035 -8.499 -7.533 1.00 0.00 O ATOM 0 H ASP A 138 57.173 -4.339 -7.682 1.00 0.00 H new ATOM 0 HA ASP A 138 55.710 -5.478 -9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.636 -6.293 -7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 138 54.979 -5.977 -6.875 1.00 0.00 H new ATOM 183 N PRO A 139 53.212 -4.916 -9.555 1.00 0.00 N ATOM 184 CA PRO A 139 51.757 -4.616 -9.360 1.00 0.00 C ATOM 185 C PRO A 139 51.219 -5.228 -8.071 1.00 0.00 C ATOM 186 O PRO A 139 51.842 -6.118 -7.494 1.00 0.00 O ATOM 187 CB PRO A 139 51.062 -5.223 -10.590 1.00 0.00 C ATOM 188 CG PRO A 139 52.078 -6.102 -11.233 1.00 0.00 C ATOM 189 CD PRO A 139 53.433 -5.496 -10.889 1.00 0.00 C ATOM 0 HA PRO A 139 51.578 -3.545 -9.269 1.00 0.00 H new ATOM 0 HB2 PRO A 139 50.179 -5.792 -10.300 1.00 0.00 H new ATOM 0 HB3 PRO A 139 50.728 -4.444 -11.275 1.00 0.00 H new ATOM 0 HG2 PRO A 139 52.002 -7.124 -10.861 1.00 0.00 H new ATOM 0 HG3 PRO A 139 51.931 -6.144 -12.312 1.00 0.00 H new ATOM 0 HD2 PRO A 139 54.220 -6.250 -10.875 1.00 0.00 H new ATOM 0 HD3 PRO A 139 53.731 -4.738 -11.613 1.00 0.00 H new ATOM 197 N ASN A 140 50.018 -4.784 -7.678 1.00 0.00 N ATOM 198 CA ASN A 140 49.473 -4.959 -6.311 1.00 0.00 C ATOM 199 C ASN A 140 50.472 -5.503 -5.278 1.00 0.00 C ATOM 200 O ASN A 140 50.478 -6.701 -4.982 1.00 0.00 O ATOM 201 CB ASN A 140 48.262 -5.905 -6.368 1.00 0.00 C ATOM 202 CG ASN A 140 47.253 -5.432 -7.414 1.00 0.00 C ATOM 203 OD1 ASN A 140 47.139 -4.233 -7.673 1.00 0.00 O ATOM 204 ND2 ASN A 140 46.527 -6.310 -8.047 1.00 0.00 N ATOM 0 H ASN A 140 49.384 -4.286 -8.303 1.00 0.00 H new ATOM 0 HA ASN A 140 49.202 -3.959 -5.973 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.595 -6.915 -6.608 1.00 0.00 H new ATOM 0 HB3 ASN A 140 47.784 -5.951 -5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 140 45.863 -6.005 -8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 140 46.623 -7.302 -7.831 1.00 0.00 H new ATOM 211 N LEU A 141 51.335 -4.634 -4.754 1.00 0.00 N ATOM 212 CA LEU A 141 51.977 -4.923 -3.470 1.00 0.00 C ATOM 213 C LEU A 141 51.430 -4.004 -2.362 1.00 0.00 C ATOM 214 O LEU A 141 51.531 -4.331 -1.178 1.00 0.00 O ATOM 215 CB LEU A 141 53.492 -4.724 -3.597 1.00 0.00 C ATOM 216 CG LEU A 141 54.198 -5.261 -2.346 1.00 0.00 C ATOM 217 CD1 LEU A 141 54.119 -6.797 -2.312 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.665 -4.816 -2.354 1.00 0.00 C ATOM 0 H LEU A 141 51.601 -3.748 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 141 51.759 -5.957 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.862 -5.240 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.719 -3.666 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 141 53.704 -4.864 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 141 54.623 -7.168 -1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 141 53.074 -7.107 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.603 -7.206 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 141 56.166 -5.198 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 141 56.159 -5.206 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.715 -3.727 -2.359 1.00 0.00 H new ATOM 230 N ILE A 142 50.733 -2.928 -2.750 1.00 0.00 N ATOM 231 CA ILE A 142 50.166 -2.009 -1.768 1.00 0.00 C ATOM 232 C ILE A 142 49.061 -2.689 -0.949 1.00 0.00 C ATOM 233 O ILE A 142 48.888 -2.375 0.227 1.00 0.00 O ATOM 234 CB ILE A 142 49.668 -0.713 -2.462 1.00 0.00 C ATOM 235 CG1 ILE A 142 50.874 0.221 -2.711 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.641 0.024 -1.578 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.437 1.449 -3.525 1.00 0.00 C ATOM 0 H ILE A 142 50.553 -2.679 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 142 50.949 -1.724 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 142 49.191 -0.984 -3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.299 0.539 -1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.656 -0.318 -3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.307 0.929 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.786 -0.626 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.104 0.291 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.296 2.099 -3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 142 50.034 1.125 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 142 49.671 1.996 -2.976 1.00 0.00 H new ATOM 249 N GLU A 143 48.342 -3.645 -1.543 1.00 0.00 N ATOM 250 CA GLU A 143 47.190 -4.241 -0.857 1.00 0.00 C ATOM 251 C GLU A 143 47.628 -4.982 0.406 1.00 0.00 C ATOM 252 O GLU A 143 47.121 -4.729 1.501 1.00 0.00 O ATOM 253 CB GLU A 143 46.493 -5.229 -1.793 1.00 0.00 C ATOM 254 CG GLU A 143 45.809 -4.459 -2.924 1.00 0.00 C ATOM 255 CD GLU A 143 45.065 -5.426 -3.842 1.00 0.00 C ATOM 256 OE1 GLU A 143 44.435 -6.335 -3.328 1.00 0.00 O ATOM 257 OE2 GLU A 143 45.136 -5.240 -5.045 1.00 0.00 O ATOM 0 H GLU A 143 48.529 -4.017 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 143 46.508 -3.438 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.218 -5.932 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.758 -5.815 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.112 -3.731 -2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.551 -3.901 -3.495 1.00 0.00 H new ATOM 264 N ASN A 144 48.652 -5.821 0.269 1.00 0.00 N ATOM 265 CA ASN A 144 49.262 -6.484 1.424 1.00 0.00 C ATOM 266 C ASN A 144 49.697 -5.456 2.470 1.00 0.00 C ATOM 267 O ASN A 144 49.569 -5.682 3.674 1.00 0.00 O ATOM 268 CB ASN A 144 50.478 -7.292 0.962 1.00 0.00 C ATOM 269 CG ASN A 144 50.069 -8.308 -0.104 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.938 -8.794 -0.102 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.916 -8.628 -1.045 1.00 0.00 N ATOM 0 H ASN A 144 49.078 -6.059 -0.627 1.00 0.00 H new ATOM 0 HA ASN A 144 48.525 -7.148 1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 144 51.238 -6.621 0.561 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.925 -7.807 1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.641 -9.281 -1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.853 -8.225 -1.046 1.00 0.00 H new ATOM 278 N LEU A 145 50.211 -4.330 1.986 1.00 0.00 N ATOM 279 CA LEU A 145 50.612 -3.234 2.865 1.00 0.00 C ATOM 280 C LEU A 145 49.423 -2.619 3.599 1.00 0.00 C ATOM 281 O LEU A 145 49.607 -1.971 4.627 1.00 0.00 O ATOM 282 CB LEU A 145 51.376 -2.162 2.086 1.00 0.00 C ATOM 283 CG LEU A 145 52.598 -2.793 1.407 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.324 -1.728 0.586 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.558 -3.364 2.460 1.00 0.00 C ATOM 0 H LEU A 145 50.360 -4.151 0.993 1.00 0.00 H new ATOM 0 HA LEU A 145 51.275 -3.657 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.725 -1.708 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.692 -1.365 2.759 1.00 0.00 H new ATOM 0 HG LEU A 145 52.264 -3.602 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.194 -2.172 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.649 -1.331 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.648 -0.920 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.420 -3.808 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 145 53.892 -2.563 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 145 53.044 -4.126 3.046 1.00 0.00 H new ATOM 297 N LYS A 146 48.226 -2.718 3.019 1.00 0.00 N ATOM 298 CA LYS A 146 47.028 -2.204 3.681 1.00 0.00 C ATOM 299 C LYS A 146 46.765 -2.929 5.008 1.00 0.00 C ATOM 300 O LYS A 146 46.523 -2.291 6.035 1.00 0.00 O ATOM 301 CB LYS A 146 45.801 -2.372 2.779 1.00 0.00 C ATOM 302 CG LYS A 146 45.980 -1.551 1.501 1.00 0.00 C ATOM 303 CD LYS A 146 44.698 -1.612 0.669 1.00 0.00 C ATOM 304 CE LYS A 146 43.610 -0.773 1.342 1.00 0.00 C ATOM 305 NZ LYS A 146 42.433 -0.667 0.434 1.00 0.00 N ATOM 0 H LYS A 146 48.062 -3.143 2.106 1.00 0.00 H new ATOM 0 HA LYS A 146 47.201 -1.147 3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.663 -3.424 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 146 44.904 -2.049 3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.214 -0.516 1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.820 -1.937 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 146 44.888 -1.240 -0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.366 -2.645 0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 146 43.315 -1.231 2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 146 43.994 0.220 1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 41.693 -0.097 0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 42.721 -0.212 -0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 42.063 -1.618 0.233 1.00 0.00 H new ATOM 319 N LYS A 147 46.773 -4.266 4.975 1.00 0.00 N ATOM 320 CA LYS A 147 46.191 -5.034 6.086 1.00 0.00 C ATOM 321 C LYS A 147 47.133 -5.253 7.288 1.00 0.00 C ATOM 322 O LYS A 147 46.708 -5.056 8.429 1.00 0.00 O ATOM 323 CB LYS A 147 45.725 -6.395 5.568 1.00 0.00 C ATOM 324 CG LYS A 147 44.573 -6.198 4.581 1.00 0.00 C ATOM 325 CD LYS A 147 44.023 -7.563 4.160 1.00 0.00 C ATOM 326 CE LYS A 147 42.944 -7.372 3.093 1.00 0.00 C ATOM 327 NZ LYS A 147 42.229 -8.661 2.872 1.00 0.00 N ATOM 0 H LYS A 147 47.163 -4.827 4.217 1.00 0.00 H new ATOM 0 HA LYS A 147 45.362 -4.432 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.551 -6.913 5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.402 -7.022 6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.784 -5.602 5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 147 44.920 -5.648 3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 147 44.828 -8.187 3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 147 43.607 -8.081 5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 147 42.239 -6.602 3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 147 43.395 -7.030 2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 41.495 -8.531 2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 42.906 -9.384 2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 41.786 -8.969 3.761 1.00 0.00 H new ATOM 341 N ASN A 148 48.400 -5.645 7.058 1.00 0.00 N ATOM 342 CA ASN A 148 49.225 -6.104 8.199 1.00 0.00 C ATOM 343 C ASN A 148 50.302 -5.103 8.673 1.00 0.00 C ATOM 344 O ASN A 148 50.784 -5.229 9.801 1.00 0.00 O ATOM 345 CB ASN A 148 49.921 -7.410 7.787 1.00 0.00 C ATOM 346 CG ASN A 148 50.690 -8.014 8.962 1.00 0.00 C ATOM 347 OD1 ASN A 148 50.093 -8.608 9.860 1.00 0.00 O ATOM 348 ND2 ASN A 148 51.990 -7.895 9.003 1.00 0.00 N ATOM 0 H ASN A 148 48.859 -5.656 6.147 1.00 0.00 H new ATOM 0 HA ASN A 148 48.543 -6.228 9.040 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.180 -8.124 7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.605 -7.217 6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.514 -8.295 9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 148 52.481 -7.402 8.257 1.00 0.00 H new ATOM 355 N PRO A 149 50.693 -4.139 7.875 1.00 0.00 N ATOM 356 CA PRO A 149 51.728 -3.156 8.303 1.00 0.00 C ATOM 357 C PRO A 149 51.169 -1.761 8.561 1.00 0.00 C ATOM 358 O PRO A 149 50.224 -1.325 7.904 1.00 0.00 O ATOM 359 CB PRO A 149 52.699 -3.148 7.131 1.00 0.00 C ATOM 360 CG PRO A 149 51.866 -3.448 5.929 1.00 0.00 C ATOM 361 CD PRO A 149 50.566 -4.106 6.413 1.00 0.00 C ATOM 0 HA PRO A 149 52.181 -3.435 9.254 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.193 -2.181 7.036 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.482 -3.895 7.264 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.649 -2.534 5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.400 -4.112 5.250 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.692 -3.533 6.103 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.452 -5.109 6.002 1.00 0.00 H new ATOM 369 N LYS A 150 51.810 -1.042 9.488 1.00 0.00 N ATOM 370 CA LYS A 150 51.446 0.353 9.770 1.00 0.00 C ATOM 371 C LYS A 150 51.555 1.224 8.506 1.00 0.00 C ATOM 372 O LYS A 150 50.951 2.293 8.431 1.00 0.00 O ATOM 373 CB LYS A 150 52.356 0.941 10.857 1.00 0.00 C ATOM 374 CG LYS A 150 52.410 0.006 12.068 1.00 0.00 C ATOM 375 CD LYS A 150 53.110 0.715 13.230 1.00 0.00 C ATOM 376 CE LYS A 150 53.268 -0.255 14.401 1.00 0.00 C ATOM 377 NZ LYS A 150 51.967 -0.383 15.117 1.00 0.00 N ATOM 0 H LYS A 150 52.580 -1.399 10.054 1.00 0.00 H new ATOM 0 HA LYS A 150 50.412 0.354 10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.360 1.090 10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 150 51.985 1.920 11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.401 -0.286 12.361 1.00 0.00 H new ATOM 0 HG3 LYS A 150 52.944 -0.909 11.811 1.00 0.00 H new ATOM 0 HD2 LYS A 150 54.087 1.079 12.912 1.00 0.00 H new ATOM 0 HD3 LYS A 150 52.531 1.585 13.541 1.00 0.00 H new ATOM 0 HE2 LYS A 150 53.594 -1.230 14.038 1.00 0.00 H new ATOM 0 HE3 LYS A 150 54.038 0.104 15.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 52.081 -1.016 15.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 51.658 0.554 15.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 51.253 -0.776 14.472 1.00 0.00 H new ATOM 391 N THR A 151 52.297 0.742 7.503 1.00 0.00 N ATOM 392 CA THR A 151 52.486 1.479 6.247 1.00 0.00 C ATOM 393 C THR A 151 51.131 1.809 5.584 1.00 0.00 C ATOM 394 O THR A 151 51.004 2.784 4.826 1.00 0.00 O ATOM 395 CB THR A 151 53.347 0.631 5.295 1.00 0.00 C ATOM 396 OG1 THR A 151 52.658 -0.570 4.983 1.00 0.00 O ATOM 397 CG2 THR A 151 54.685 0.293 5.964 1.00 0.00 C ATOM 0 H THR A 151 52.778 -0.157 7.536 1.00 0.00 H new ATOM 0 HA THR A 151 52.988 2.422 6.464 1.00 0.00 H new ATOM 0 HB THR A 151 53.536 1.195 4.381 1.00 0.00 H new ATOM 0 HG1 THR A 151 53.293 -1.316 4.966 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.290 -0.308 5.285 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.215 1.215 6.203 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.502 -0.269 6.880 1.00 0.00 H new ATOM 405 N SER A 152 50.090 1.066 5.963 1.00 0.00 N ATOM 406 CA SER A 152 48.764 1.249 5.375 1.00 0.00 C ATOM 407 C SER A 152 48.194 2.642 5.639 1.00 0.00 C ATOM 408 O SER A 152 47.285 3.085 4.930 1.00 0.00 O ATOM 409 CB SER A 152 47.816 0.211 5.964 1.00 0.00 C ATOM 410 OG SER A 152 48.046 0.107 7.361 1.00 0.00 O ATOM 0 H SER A 152 50.140 0.334 6.672 1.00 0.00 H new ATOM 0 HA SER A 152 48.863 1.131 4.296 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.781 0.497 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 152 47.973 -0.755 5.485 1.00 0.00 H new ATOM 0 HG SER A 152 48.682 -0.618 7.535 1.00 0.00 H new ATOM 416 N GLU A 153 48.755 3.362 6.613 1.00 0.00 N ATOM 417 CA GLU A 153 48.288 4.713 6.904 1.00 0.00 C ATOM 418 C GLU A 153 48.396 5.589 5.658 1.00 0.00 C ATOM 419 O GLU A 153 47.390 6.127 5.181 1.00 0.00 O ATOM 420 CB GLU A 153 49.117 5.318 8.039 1.00 0.00 C ATOM 421 CG GLU A 153 48.747 4.636 9.359 1.00 0.00 C ATOM 422 CD GLU A 153 49.340 5.402 10.540 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.458 5.880 10.417 1.00 0.00 O ATOM 424 OE2 GLU A 153 48.667 5.501 11.553 1.00 0.00 O ATOM 0 H GLU A 153 49.521 3.036 7.203 1.00 0.00 H new ATOM 0 HA GLU A 153 47.243 4.665 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.180 5.189 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 153 48.933 6.390 8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.663 4.586 9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 153 49.115 3.610 9.361 1.00 0.00 H new ATOM 431 N MET A 154 49.567 5.562 5.016 1.00 0.00 N ATOM 432 CA MET A 154 49.812 6.449 3.886 1.00 0.00 C ATOM 433 C MET A 154 48.888 6.113 2.729 1.00 0.00 C ATOM 434 O MET A 154 48.579 6.980 1.910 1.00 0.00 O ATOM 435 CB MET A 154 51.248 6.348 3.385 1.00 0.00 C ATOM 436 CG MET A 154 52.218 6.785 4.478 1.00 0.00 C ATOM 437 SD MET A 154 53.899 6.862 3.800 1.00 0.00 S ATOM 438 CE MET A 154 54.005 5.152 3.212 1.00 0.00 C ATOM 0 H MET A 154 50.344 4.947 5.256 1.00 0.00 H new ATOM 0 HA MET A 154 49.625 7.462 4.242 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.465 5.323 3.084 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.378 6.973 2.502 1.00 0.00 H new ATOM 0 HG2 MET A 154 51.927 7.760 4.869 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.183 6.084 5.312 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.052 4.870 3.101 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.525 4.489 3.932 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.502 5.067 2.249 1.00 0.00 H new ATOM 448 N MET A 155 48.507 4.836 2.600 1.00 0.00 N ATOM 449 CA MET A 155 47.687 4.419 1.464 1.00 0.00 C ATOM 450 C MET A 155 46.280 5.014 1.542 1.00 0.00 C ATOM 451 O MET A 155 45.733 5.459 0.532 1.00 0.00 O ATOM 452 CB MET A 155 47.584 2.887 1.424 1.00 0.00 C ATOM 453 CG MET A 155 48.986 2.260 1.384 1.00 0.00 C ATOM 454 SD MET A 155 49.819 2.688 -0.169 1.00 0.00 S ATOM 455 CE MET A 155 51.512 2.377 0.389 1.00 0.00 C ATOM 0 H MET A 155 48.748 4.091 3.254 1.00 0.00 H new ATOM 0 HA MET A 155 48.169 4.784 0.557 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.043 2.529 2.300 1.00 0.00 H new ATOM 0 HB3 MET A 155 47.014 2.577 0.548 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.575 2.614 2.230 1.00 0.00 H new ATOM 0 HG3 MET A 155 48.911 1.177 1.478 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.207 2.581 -0.426 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.742 3.027 1.233 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.608 1.336 0.696 1.00 0.00 H new ATOM 465 N LYS A 156 45.701 5.022 2.746 1.00 0.00 N ATOM 466 CA LYS A 156 44.271 5.286 2.891 1.00 0.00 C ATOM 467 C LYS A 156 43.957 6.784 2.967 1.00 0.00 C ATOM 468 O LYS A 156 42.810 7.188 2.765 1.00 0.00 O ATOM 469 CB LYS A 156 43.768 4.608 4.164 1.00 0.00 C ATOM 470 CG LYS A 156 43.835 3.089 3.996 1.00 0.00 C ATOM 471 CD LYS A 156 43.232 2.412 5.227 1.00 0.00 C ATOM 472 CE LYS A 156 43.403 0.896 5.112 1.00 0.00 C ATOM 473 NZ LYS A 156 42.848 0.238 6.329 1.00 0.00 N ATOM 0 H LYS A 156 46.194 4.851 3.622 1.00 0.00 H new ATOM 0 HA LYS A 156 43.770 4.888 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.373 4.917 5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.743 4.916 4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 156 43.293 2.787 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.870 2.772 3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 156 43.720 2.776 6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 156 42.175 2.664 5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 156 42.892 0.528 4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 156 44.458 0.646 5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 42.965 -0.792 6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 43.354 0.580 7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 41.837 0.466 6.417 1.00 0.00 H new ATOM 487 N ASP A 157 44.971 7.604 3.257 1.00 0.00 N ATOM 488 CA ASP A 157 44.765 9.056 3.317 1.00 0.00 C ATOM 489 C ASP A 157 45.626 9.802 2.283 1.00 0.00 C ATOM 490 O ASP A 157 45.120 10.196 1.231 1.00 0.00 O ATOM 491 CB ASP A 157 45.046 9.566 4.740 1.00 0.00 C ATOM 492 CG ASP A 157 43.740 9.744 5.513 1.00 0.00 C ATOM 493 OD1 ASP A 157 42.805 10.277 4.939 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.698 9.346 6.665 1.00 0.00 O ATOM 0 H ASP A 157 45.924 7.297 3.450 1.00 0.00 H new ATOM 0 HA ASP A 157 43.724 9.260 3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 157 45.692 8.862 5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 157 45.580 10.515 4.694 1.00 0.00 H new ATOM 499 N PRO A 158 46.898 9.995 2.544 1.00 0.00 N ATOM 500 CA PRO A 158 47.697 11.061 1.856 1.00 0.00 C ATOM 501 C PRO A 158 47.860 10.843 0.349 1.00 0.00 C ATOM 502 O PRO A 158 47.887 9.714 -0.138 1.00 0.00 O ATOM 503 CB PRO A 158 49.060 11.021 2.556 1.00 0.00 C ATOM 504 CG PRO A 158 49.156 9.657 3.136 1.00 0.00 C ATOM 505 CD PRO A 158 47.733 9.265 3.517 1.00 0.00 C ATOM 0 HA PRO A 158 47.191 12.023 1.931 1.00 0.00 H new ATOM 0 HB2 PRO A 158 49.871 11.208 1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.128 11.785 3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.575 8.955 2.416 1.00 0.00 H new ATOM 0 HG3 PRO A 158 49.810 9.648 4.008 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.582 8.188 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.499 9.553 4.542 1.00 0.00 H new ATOM 513 N GLN A 159 48.113 11.949 -0.356 1.00 0.00 N ATOM 514 CA GLN A 159 48.421 11.915 -1.791 1.00 0.00 C ATOM 515 C GLN A 159 49.671 11.070 -2.085 1.00 0.00 C ATOM 516 O GLN A 159 49.882 10.634 -3.221 1.00 0.00 O ATOM 517 CB GLN A 159 48.632 13.335 -2.318 1.00 0.00 C ATOM 518 CG GLN A 159 47.276 14.001 -2.568 1.00 0.00 C ATOM 519 CD GLN A 159 46.587 13.354 -3.766 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.203 13.177 -4.817 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.338 12.989 -3.669 1.00 0.00 N ATOM 0 H GLN A 159 48.111 12.886 0.046 1.00 0.00 H new ATOM 0 HA GLN A 159 47.572 11.455 -2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.207 13.918 -1.599 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.210 13.308 -3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.647 13.907 -1.683 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.414 15.067 -2.750 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.830 13.137 -2.797 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.870 12.556 -4.465 1.00 0.00 H new ATOM 530 N LEU A 160 50.471 10.803 -1.046 1.00 0.00 N ATOM 531 CA LEU A 160 51.785 10.191 -1.237 1.00 0.00 C ATOM 532 C LEU A 160 51.667 8.868 -2.005 1.00 0.00 C ATOM 533 O LEU A 160 52.623 8.433 -2.642 1.00 0.00 O ATOM 534 CB LEU A 160 52.440 9.932 0.123 1.00 0.00 C ATOM 535 CG LEU A 160 53.926 9.618 -0.071 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.667 10.883 -0.512 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.516 9.117 1.249 1.00 0.00 C ATOM 0 H LEU A 160 50.232 11.000 -0.074 1.00 0.00 H new ATOM 0 HA LEU A 160 52.400 10.878 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.324 10.805 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 160 51.945 9.100 0.623 1.00 0.00 H new ATOM 0 HG LEU A 160 54.036 8.850 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.724 10.656 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.248 11.241 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.557 11.654 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.574 8.893 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.403 9.886 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 160 53.991 8.214 1.563 1.00 0.00 H new ATOM 549 N VAL A 161 50.483 8.238 -1.951 1.00 0.00 N ATOM 550 CA VAL A 161 50.245 6.982 -2.671 1.00 0.00 C ATOM 551 C VAL A 161 50.508 7.157 -4.165 1.00 0.00 C ATOM 552 O VAL A 161 51.360 6.480 -4.737 1.00 0.00 O ATOM 553 CB VAL A 161 48.788 6.521 -2.482 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.642 5.075 -2.965 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.388 6.598 -1.003 1.00 0.00 C ATOM 0 H VAL A 161 49.681 8.577 -1.419 1.00 0.00 H new ATOM 0 HA VAL A 161 50.926 6.234 -2.265 1.00 0.00 H new ATOM 0 HB VAL A 161 48.138 7.176 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.611 4.749 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 161 48.907 5.015 -4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.304 4.430 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.355 6.269 -0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.042 5.954 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.482 7.626 -0.654 1.00 0.00 H new ATOM 565 N ALA A 162 49.820 8.125 -4.778 1.00 0.00 N ATOM 566 CA ALA A 162 49.922 8.332 -6.223 1.00 0.00 C ATOM 567 C ALA A 162 51.367 8.629 -6.600 1.00 0.00 C ATOM 568 O ALA A 162 51.964 7.946 -7.438 1.00 0.00 O ATOM 569 CB ALA A 162 49.041 9.513 -6.639 1.00 0.00 C ATOM 0 H ALA A 162 49.192 8.772 -4.300 1.00 0.00 H new ATOM 0 HA ALA A 162 49.589 7.429 -6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 162 49.120 9.664 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 162 48.004 9.303 -6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.371 10.413 -6.121 1.00 0.00 H new ATOM 575 N LYS A 163 51.972 9.537 -5.830 1.00 0.00 N ATOM 576 CA LYS A 163 53.352 9.952 -6.083 1.00 0.00 C ATOM 577 C LYS A 163 54.279 8.734 -6.110 1.00 0.00 C ATOM 578 O LYS A 163 54.917 8.455 -7.126 1.00 0.00 O ATOM 579 CB LYS A 163 53.815 10.922 -4.992 1.00 0.00 C ATOM 580 CG LYS A 163 52.931 12.173 -5.001 1.00 0.00 C ATOM 581 CD LYS A 163 53.214 12.996 -6.260 1.00 0.00 C ATOM 582 CE LYS A 163 52.444 14.316 -6.191 1.00 0.00 C ATOM 583 NZ LYS A 163 52.922 15.226 -7.271 1.00 0.00 N ATOM 0 H LYS A 163 51.531 9.995 -5.032 1.00 0.00 H new ATOM 0 HA LYS A 163 53.391 10.450 -7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.765 10.437 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.856 11.200 -5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.880 11.887 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 163 53.124 12.773 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 163 54.283 13.191 -6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 163 52.918 12.436 -7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 163 51.375 14.132 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 163 52.588 14.783 -5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 52.399 16.124 -7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 53.938 15.410 -7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 52.763 14.780 -8.197 1.00 0.00 H new ATOM 597 N LEU A 164 54.186 7.910 -5.067 1.00 0.00 N ATOM 598 CA LEU A 164 55.044 6.734 -4.934 1.00 0.00 C ATOM 599 C LEU A 164 54.841 5.753 -6.088 1.00 0.00 C ATOM 600 O LEU A 164 55.791 5.129 -6.542 1.00 0.00 O ATOM 601 CB LEU A 164 54.744 6.025 -3.612 1.00 0.00 C ATOM 602 CG LEU A 164 55.257 6.870 -2.443 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.739 6.287 -1.128 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.789 6.854 -2.432 1.00 0.00 C ATOM 0 H LEU A 164 53.524 8.036 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 164 56.079 7.074 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.671 5.862 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.218 5.044 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 164 54.903 7.895 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.104 6.888 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.649 6.294 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.094 5.262 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.153 7.456 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.141 5.829 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.164 7.266 -3.369 1.00 0.00 H new ATOM 616 N ILE A 165 53.602 5.635 -6.570 1.00 0.00 N ATOM 617 CA ILE A 165 53.277 4.623 -7.577 1.00 0.00 C ATOM 618 C ILE A 165 54.046 4.887 -8.875 1.00 0.00 C ATOM 619 O ILE A 165 54.572 3.955 -9.490 1.00 0.00 O ATOM 620 CB ILE A 165 51.753 4.584 -7.806 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.108 3.961 -6.561 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.410 3.726 -9.039 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.585 4.114 -6.608 1.00 0.00 C ATOM 0 H ILE A 165 52.816 6.219 -6.284 1.00 0.00 H new ATOM 0 HA ILE A 165 53.587 3.642 -7.216 1.00 0.00 H new ATOM 0 HB ILE A 165 51.381 5.594 -7.978 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.371 2.905 -6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.499 4.440 -5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.330 3.711 -9.183 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.888 4.150 -9.922 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.769 2.708 -8.886 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.147 3.666 -5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.327 5.172 -6.647 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.196 3.613 -7.495 1.00 0.00 H new ATOM 635 N GLY A 166 54.200 6.160 -9.235 1.00 0.00 N ATOM 636 CA GLY A 166 55.025 6.506 -10.387 1.00 0.00 C ATOM 637 C GLY A 166 56.491 6.275 -10.040 1.00 0.00 C ATOM 638 O GLY A 166 57.227 5.597 -10.762 1.00 0.00 O ATOM 0 H GLY A 166 53.773 6.953 -8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.742 5.899 -11.247 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.864 7.548 -10.665 1.00 0.00 H new ATOM 642 N TYR A 167 56.885 6.828 -8.893 1.00 0.00 N ATOM 643 CA TYR A 167 58.228 6.636 -8.348 1.00 0.00 C ATOM 644 C TYR A 167 58.526 5.160 -8.054 1.00 0.00 C ATOM 645 O TYR A 167 59.681 4.784 -7.880 1.00 0.00 O ATOM 646 CB TYR A 167 58.353 7.487 -7.078 1.00 0.00 C ATOM 647 CG TYR A 167 59.728 7.562 -6.469 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.757 8.266 -7.137 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.968 6.985 -5.200 1.00 0.00 C ATOM 650 CE1 TYR A 167 62.035 8.384 -6.542 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.244 7.100 -4.603 1.00 0.00 C ATOM 652 CZ TYR A 167 62.281 7.800 -5.276 1.00 0.00 C ATOM 653 OH TYR A 167 63.533 7.909 -4.700 1.00 0.00 O ATOM 0 H TYR A 167 56.285 7.419 -8.318 1.00 0.00 H new ATOM 0 HA TYR A 167 58.963 6.952 -9.088 1.00 0.00 H new ATOM 0 HB2 TYR A 167 58.023 8.500 -7.309 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.666 7.091 -6.330 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.567 8.713 -8.101 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.177 6.457 -4.688 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.822 8.919 -7.053 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.430 6.656 -3.636 1.00 0.00 H new ATOM 0 HH TYR A 167 63.767 8.856 -4.602 1.00 0.00 H new ATOM 663 N LYS A 168 57.479 4.342 -7.957 1.00 0.00 N ATOM 664 CA LYS A 168 57.645 2.900 -7.759 1.00 0.00 C ATOM 665 C LYS A 168 58.098 2.201 -9.044 1.00 0.00 C ATOM 666 O LYS A 168 59.069 1.441 -9.038 1.00 0.00 O ATOM 667 CB LYS A 168 56.312 2.299 -7.288 1.00 0.00 C ATOM 668 CG LYS A 168 56.242 2.326 -5.750 1.00 0.00 C ATOM 669 CD LYS A 168 54.824 1.971 -5.252 1.00 0.00 C ATOM 670 CE LYS A 168 54.359 0.609 -5.792 1.00 0.00 C ATOM 671 NZ LYS A 168 53.002 0.750 -6.392 1.00 0.00 N ATOM 0 H LYS A 168 56.508 4.651 -8.012 1.00 0.00 H new ATOM 0 HA LYS A 168 58.418 2.746 -7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.479 2.863 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.217 1.274 -7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 168 56.963 1.620 -5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 168 56.521 3.315 -5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 168 54.814 1.953 -4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 168 54.123 2.745 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 168 55.063 0.243 -6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 168 54.338 -0.126 -4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 52.687 -0.171 -6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 52.334 1.082 -5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 53.037 1.438 -7.171 1.00 0.00 H new ATOM 685 N GLN A 169 57.390 2.467 -10.140 1.00 0.00 N ATOM 686 CA GLN A 169 57.526 1.646 -11.346 1.00 0.00 C ATOM 687 C GLN A 169 58.847 1.902 -12.086 1.00 0.00 C ATOM 688 O GLN A 169 59.567 0.961 -12.422 1.00 0.00 O ATOM 689 CB GLN A 169 56.358 1.926 -12.293 1.00 0.00 C ATOM 690 CG GLN A 169 55.050 1.471 -11.641 1.00 0.00 C ATOM 691 CD GLN A 169 53.890 1.660 -12.611 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.696 0.845 -13.514 1.00 0.00 O ATOM 693 NE2 GLN A 169 53.102 2.692 -12.481 1.00 0.00 N ATOM 0 H GLN A 169 56.723 3.235 -10.220 1.00 0.00 H new ATOM 0 HA GLN A 169 57.522 0.604 -11.028 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.310 2.990 -12.524 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.508 1.402 -13.237 1.00 0.00 H new ATOM 0 HG2 GLN A 169 55.124 0.423 -11.350 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.870 2.042 -10.730 1.00 0.00 H new ATOM 0 HE21 GLN A 169 53.264 3.366 -11.733 1.00 0.00 H new ATOM 0 HE22 GLN A 169 52.324 2.824 -13.128 1.00 0.00 H new ATOM 702 N ASN A 170 59.158 3.176 -12.329 1.00 0.00 N ATOM 703 CA ASN A 170 60.243 3.525 -13.266 1.00 0.00 C ATOM 704 C ASN A 170 61.594 3.832 -12.582 1.00 0.00 C ATOM 705 O ASN A 170 62.639 3.424 -13.092 1.00 0.00 O ATOM 706 CB ASN A 170 59.823 4.740 -14.094 1.00 0.00 C ATOM 707 CG ASN A 170 60.667 4.826 -15.360 1.00 0.00 C ATOM 708 OD1 ASN A 170 61.644 5.573 -15.406 1.00 0.00 O ATOM 709 ND2 ASN A 170 60.349 4.101 -16.397 1.00 0.00 N ATOM 0 H ASN A 170 58.688 3.975 -11.903 1.00 0.00 H new ATOM 0 HA ASN A 170 60.401 2.645 -13.890 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.767 4.665 -14.355 1.00 0.00 H new ATOM 0 HB3 ASN A 170 59.942 5.650 -13.506 1.00 0.00 H new ATOM 0 HD21 ASN A 170 60.910 4.153 -17.247 1.00 0.00 H new ATOM 0 HD22 ASN A 170 59.539 3.482 -16.358 1.00 0.00 H new ATOM 716 N PRO A 171 61.607 4.514 -11.456 1.00 0.00 N ATOM 717 CA PRO A 171 62.855 5.140 -10.930 1.00 0.00 C ATOM 718 C PRO A 171 63.526 4.357 -9.803 1.00 0.00 C ATOM 719 O PRO A 171 63.175 4.502 -8.632 1.00 0.00 O ATOM 720 CB PRO A 171 62.404 6.512 -10.455 1.00 0.00 C ATOM 721 CG PRO A 171 60.982 6.346 -10.061 1.00 0.00 C ATOM 722 CD PRO A 171 60.445 5.080 -10.748 1.00 0.00 C ATOM 0 HA PRO A 171 63.623 5.173 -11.703 1.00 0.00 H new ATOM 0 HB2 PRO A 171 63.007 6.854 -9.614 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.508 7.255 -11.246 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.894 6.259 -8.978 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.399 7.218 -10.359 1.00 0.00 H new ATOM 0 HD2 PRO A 171 60.044 4.375 -10.020 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.637 5.318 -11.440 1.00 0.00 H new ATOM 730 N GLN A 172 64.535 3.556 -10.160 1.00 0.00 N ATOM 731 CA GLN A 172 65.365 2.843 -9.164 1.00 0.00 C ATOM 732 C GLN A 172 65.833 3.753 -8.000 1.00 0.00 C ATOM 733 O GLN A 172 66.257 3.261 -6.952 1.00 0.00 O ATOM 734 CB GLN A 172 66.593 2.236 -9.851 1.00 0.00 C ATOM 735 CG GLN A 172 66.146 1.235 -10.920 1.00 0.00 C ATOM 736 CD GLN A 172 65.548 -0.005 -10.262 1.00 0.00 C ATOM 737 OE1 GLN A 172 64.328 -0.167 -10.238 1.00 0.00 O ATOM 738 NE2 GLN A 172 66.339 -0.893 -9.725 1.00 0.00 N ATOM 0 H GLN A 172 64.802 3.380 -11.129 1.00 0.00 H new ATOM 0 HA GLN A 172 64.736 2.063 -8.735 1.00 0.00 H new ATOM 0 HB2 GLN A 172 67.194 3.024 -10.306 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.224 1.738 -9.115 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.410 1.698 -11.577 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.995 0.952 -11.542 1.00 0.00 H new ATOM 0 HE21 GLN A 172 67.349 -0.755 -9.747 1.00 0.00 H new ATOM 0 HE22 GLN A 172 65.947 -1.725 -9.284 1.00 0.00 H new ATOM 747 N ALA A 173 65.682 5.075 -8.160 1.00 0.00 N ATOM 748 CA ALA A 173 66.169 6.039 -7.175 1.00 0.00 C ATOM 749 C ALA A 173 65.529 5.834 -5.786 1.00 0.00 C ATOM 750 O ALA A 173 65.985 6.429 -4.810 1.00 0.00 O ATOM 751 CB ALA A 173 65.837 7.450 -7.658 1.00 0.00 C ATOM 0 H ALA A 173 65.224 5.498 -8.967 1.00 0.00 H new ATOM 0 HA ALA A 173 67.245 5.893 -7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.196 8.178 -6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.320 7.629 -8.619 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.758 7.552 -7.770 1.00 0.00 H new ATOM 757 N ILE A 174 64.512 4.959 -5.682 1.00 0.00 N ATOM 758 CA ILE A 174 63.761 4.815 -4.426 1.00 0.00 C ATOM 759 C ILE A 174 64.694 4.431 -3.273 1.00 0.00 C ATOM 760 O ILE A 174 64.444 4.791 -2.124 1.00 0.00 O ATOM 761 CB ILE A 174 62.669 3.741 -4.568 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.814 4.039 -5.826 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.790 3.738 -3.305 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.563 3.154 -5.885 1.00 0.00 C ATOM 0 H ILE A 174 64.197 4.352 -6.439 1.00 0.00 H new ATOM 0 HA ILE A 174 63.298 5.777 -4.207 1.00 0.00 H new ATOM 0 HB ILE A 174 63.126 2.758 -4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.518 5.088 -5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.415 3.879 -6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 174 61.015 2.978 -3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.406 3.518 -2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.325 4.716 -3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.990 3.393 -6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.860 2.106 -5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.948 3.333 -5.003 1.00 0.00 H new ATOM 776 N GLY A 175 65.786 3.728 -3.596 1.00 0.00 N ATOM 777 CA GLY A 175 66.701 3.222 -2.573 1.00 0.00 C ATOM 778 C GLY A 175 67.221 4.350 -1.673 1.00 0.00 C ATOM 779 O GLY A 175 67.531 4.124 -0.501 1.00 0.00 O ATOM 0 H GLY A 175 66.054 3.499 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 175 66.190 2.476 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.542 2.721 -3.052 1.00 0.00 H new ATOM 783 N GLN A 176 67.313 5.559 -2.230 1.00 0.00 N ATOM 784 CA GLN A 176 67.829 6.706 -1.487 1.00 0.00 C ATOM 785 C GLN A 176 66.720 7.407 -0.705 1.00 0.00 C ATOM 786 O GLN A 176 66.965 7.967 0.366 1.00 0.00 O ATOM 787 CB GLN A 176 68.474 7.702 -2.453 1.00 0.00 C ATOM 788 CG GLN A 176 69.679 7.046 -3.133 1.00 0.00 C ATOM 789 CD GLN A 176 70.306 8.012 -4.135 1.00 0.00 C ATOM 790 OE1 GLN A 176 69.606 8.823 -4.744 1.00 0.00 O ATOM 791 NE2 GLN A 176 71.594 7.972 -4.345 1.00 0.00 N ATOM 0 H GLN A 176 67.038 5.767 -3.190 1.00 0.00 H new ATOM 0 HA GLN A 176 68.571 6.339 -0.778 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.749 8.020 -3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.789 8.596 -1.914 1.00 0.00 H new ATOM 0 HG2 GLN A 176 70.416 6.757 -2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 176 69.367 6.134 -3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 176 72.172 7.300 -3.840 1.00 0.00 H new ATOM 0 HE22 GLN A 176 72.022 8.612 -5.014 1.00 0.00 H new ATOM 800 N ASP A 177 65.503 7.369 -1.247 1.00 0.00 N ATOM 801 CA ASP A 177 64.399 8.112 -0.654 1.00 0.00 C ATOM 802 C ASP A 177 63.883 7.426 0.607 1.00 0.00 C ATOM 803 O ASP A 177 63.216 8.066 1.419 1.00 0.00 O ATOM 804 CB ASP A 177 63.253 8.309 -1.659 1.00 0.00 C ATOM 805 CG ASP A 177 63.434 9.613 -2.452 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.300 10.401 -2.097 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.681 9.820 -3.387 1.00 0.00 O ATOM 0 H ASP A 177 65.261 6.839 -2.084 1.00 0.00 H new ATOM 0 HA ASP A 177 64.784 9.094 -0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 177 63.218 7.463 -2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.300 8.330 -1.130 1.00 0.00 H new ATOM 812 N LEU A 178 64.169 6.128 0.776 1.00 0.00 N ATOM 813 CA LEU A 178 63.791 5.433 2.013 1.00 0.00 C ATOM 814 C LEU A 178 64.363 6.177 3.230 1.00 0.00 C ATOM 815 O LEU A 178 63.662 6.434 4.209 1.00 0.00 O ATOM 816 CB LEU A 178 64.330 3.990 2.023 1.00 0.00 C ATOM 817 CG LEU A 178 63.987 3.230 0.733 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.687 1.872 0.764 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.477 2.996 0.638 1.00 0.00 C ATOM 0 H LEU A 178 64.650 5.549 0.088 1.00 0.00 H new ATOM 0 HA LEU A 178 62.702 5.410 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.412 4.010 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.915 3.456 2.878 1.00 0.00 H new ATOM 0 HG LEU A 178 64.315 3.818 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.452 1.321 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.765 2.020 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.344 1.305 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.250 2.456 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.145 2.409 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.960 3.955 0.633 1.00 0.00 H new ATOM 831 N PHE A 179 65.652 6.513 3.139 1.00 0.00 N ATOM 832 CA PHE A 179 66.335 7.290 4.177 1.00 0.00 C ATOM 833 C PHE A 179 65.555 8.561 4.541 1.00 0.00 C ATOM 834 O PHE A 179 65.550 8.984 5.698 1.00 0.00 O ATOM 835 CB PHE A 179 67.731 7.669 3.688 1.00 0.00 C ATOM 836 CG PHE A 179 68.673 6.492 3.583 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.368 6.037 4.730 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.860 5.844 2.338 1.00 0.00 C ATOM 839 CE1 PHE A 179 70.250 4.934 4.632 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.743 4.741 2.240 1.00 0.00 C ATOM 841 CZ PHE A 179 70.437 4.285 3.387 1.00 0.00 C ATOM 0 H PHE A 179 66.247 6.257 2.351 1.00 0.00 H new ATOM 0 HA PHE A 179 66.403 6.672 5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.648 8.146 2.712 1.00 0.00 H new ATOM 0 HB3 PHE A 179 68.158 8.406 4.368 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.225 6.531 5.679 1.00 0.00 H new ATOM 0 HD2 PHE A 179 68.330 6.191 1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.780 4.587 5.507 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.887 4.248 1.290 1.00 0.00 H new ATOM 0 HZ PHE A 179 71.109 3.443 3.313 1.00 0.00 H new ATOM 851 N THR A 180 64.904 9.158 3.544 1.00 0.00 N ATOM 852 CA THR A 180 64.106 10.370 3.771 1.00 0.00 C ATOM 853 C THR A 180 62.651 10.020 4.123 1.00 0.00 C ATOM 854 O THR A 180 61.952 10.810 4.759 1.00 0.00 O ATOM 855 CB THR A 180 64.132 11.272 2.527 1.00 0.00 C ATOM 856 OG1 THR A 180 63.353 10.681 1.495 1.00 0.00 O ATOM 857 CG2 THR A 180 65.573 11.456 2.042 1.00 0.00 C ATOM 0 H THR A 180 64.910 8.829 2.579 1.00 0.00 H new ATOM 0 HA THR A 180 64.548 10.903 4.612 1.00 0.00 H new ATOM 0 HB THR A 180 63.717 12.246 2.784 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.582 9.732 1.415 1.00 0.00 H new ATOM 0 HG21 THR A 180 65.581 12.097 1.160 1.00 0.00 H new ATOM 0 HG22 THR A 180 66.166 11.918 2.831 1.00 0.00 H new ATOM 0 HG23 THR A 180 65.999 10.485 1.789 1.00 0.00 H new ATOM 865 N ASP A 181 62.208 8.832 3.703 1.00 0.00 N ATOM 866 CA ASP A 181 60.829 8.404 3.930 1.00 0.00 C ATOM 867 C ASP A 181 60.772 7.300 4.994 1.00 0.00 C ATOM 868 O ASP A 181 61.185 6.169 4.731 1.00 0.00 O ATOM 869 CB ASP A 181 60.219 7.887 2.624 1.00 0.00 C ATOM 870 CG ASP A 181 58.701 8.106 2.610 1.00 0.00 C ATOM 871 OD1 ASP A 181 58.152 8.459 3.643 1.00 0.00 O ATOM 872 OD2 ASP A 181 58.110 7.921 1.559 1.00 0.00 O ATOM 0 H ASP A 181 62.784 8.153 3.206 1.00 0.00 H new ATOM 0 HA ASP A 181 60.258 9.263 4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.673 8.400 1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 181 60.439 6.826 2.509 1.00 0.00 H new ATOM 877 N PRO A 182 60.253 7.590 6.172 1.00 0.00 N ATOM 878 CA PRO A 182 60.231 6.590 7.286 1.00 0.00 C ATOM 879 C PRO A 182 59.427 5.337 6.935 1.00 0.00 C ATOM 880 O PRO A 182 59.948 4.222 6.995 1.00 0.00 O ATOM 881 CB PRO A 182 59.584 7.337 8.463 1.00 0.00 C ATOM 882 CG PRO A 182 59.693 8.785 8.130 1.00 0.00 C ATOM 883 CD PRO A 182 59.673 8.875 6.609 1.00 0.00 C ATOM 0 HA PRO A 182 61.235 6.229 7.510 1.00 0.00 H new ATOM 0 HB2 PRO A 182 58.542 7.042 8.589 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.095 7.111 9.399 1.00 0.00 H new ATOM 0 HG2 PRO A 182 58.866 9.347 8.564 1.00 0.00 H new ATOM 0 HG3 PRO A 182 60.613 9.209 8.533 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.660 9.006 6.229 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.260 9.721 6.251 1.00 0.00 H new ATOM 891 N ARG A 183 58.160 5.527 6.563 1.00 0.00 N ATOM 892 CA ARG A 183 57.239 4.398 6.405 1.00 0.00 C ATOM 893 C ARG A 183 57.662 3.473 5.265 1.00 0.00 C ATOM 894 O ARG A 183 57.537 2.256 5.386 1.00 0.00 O ATOM 895 CB ARG A 183 55.809 4.888 6.159 1.00 0.00 C ATOM 896 CG ARG A 183 55.373 5.790 7.319 1.00 0.00 C ATOM 897 CD ARG A 183 53.897 6.153 7.153 1.00 0.00 C ATOM 898 NE ARG A 183 53.292 6.454 8.451 1.00 0.00 N ATOM 899 CZ ARG A 183 53.556 7.581 9.126 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.399 8.473 8.664 1.00 0.00 N ATOM 901 NH2 ARG A 183 52.956 7.795 10.264 1.00 0.00 N ATOM 0 H ARG A 183 57.751 6.441 6.367 1.00 0.00 H new ATOM 0 HA ARG A 183 57.272 3.833 7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.758 5.436 5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.132 4.038 6.070 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.529 5.280 8.269 1.00 0.00 H new ATOM 0 HG3 ARG A 183 55.981 6.694 7.339 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.801 7.015 6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.365 5.328 6.680 1.00 0.00 H new ATOM 0 HE ARG A 183 52.644 5.780 8.858 1.00 0.00 H new ATOM 0 HH11 ARG A 183 54.870 8.316 7.773 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.584 9.323 9.196 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.296 7.109 10.629 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.147 8.648 10.789 1.00 0.00 H new ATOM 915 N LEU A 184 58.207 4.040 4.179 1.00 0.00 N ATOM 916 CA LEU A 184 58.634 3.225 3.023 1.00 0.00 C ATOM 917 C LEU A 184 59.528 2.066 3.479 1.00 0.00 C ATOM 918 O LEU A 184 59.449 0.957 2.948 1.00 0.00 O ATOM 919 CB LEU A 184 59.401 4.088 2.005 1.00 0.00 C ATOM 920 CG LEU A 184 58.427 4.737 1.014 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.181 5.749 0.146 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.818 3.660 0.108 1.00 0.00 C ATOM 0 H LEU A 184 58.362 5.042 4.073 1.00 0.00 H new ATOM 0 HA LEU A 184 57.738 2.822 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 184 59.967 4.860 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.122 3.473 1.466 1.00 0.00 H new ATOM 0 HG LEU A 184 57.635 5.241 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.489 6.211 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.619 6.519 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 184 59.972 5.239 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 184 57.126 4.124 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.612 3.157 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.282 2.932 0.717 1.00 0.00 H new ATOM 934 N MET A 185 60.340 2.321 4.499 1.00 0.00 N ATOM 935 CA MET A 185 61.212 1.285 5.035 1.00 0.00 C ATOM 936 C MET A 185 60.401 0.199 5.747 1.00 0.00 C ATOM 937 O MET A 185 60.666 -0.984 5.579 1.00 0.00 O ATOM 938 CB MET A 185 62.226 1.897 5.997 1.00 0.00 C ATOM 939 CG MET A 185 63.250 2.703 5.204 1.00 0.00 C ATOM 940 SD MET A 185 64.455 3.436 6.341 1.00 0.00 S ATOM 941 CE MET A 185 65.844 3.522 5.183 1.00 0.00 C ATOM 0 H MET A 185 60.412 3.225 4.966 1.00 0.00 H new ATOM 0 HA MET A 185 61.743 0.824 4.202 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.719 2.539 6.717 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.725 1.112 6.565 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.757 2.059 4.485 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.750 3.486 4.634 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.738 3.117 5.657 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.611 2.940 4.291 1.00 0.00 H new ATOM 0 HE3 MET A 185 66.020 4.561 4.903 1.00 0.00 H new ATOM 951 N THR A 186 59.352 0.591 6.467 1.00 0.00 N ATOM 952 CA THR A 186 58.530 -0.385 7.194 1.00 0.00 C ATOM 953 C THR A 186 57.874 -1.365 6.213 1.00 0.00 C ATOM 954 O THR A 186 57.734 -2.556 6.503 1.00 0.00 O ATOM 955 CB THR A 186 57.454 0.347 8.011 1.00 0.00 C ATOM 956 OG1 THR A 186 58.074 1.335 8.822 1.00 0.00 O ATOM 957 CG2 THR A 186 56.700 -0.644 8.906 1.00 0.00 C ATOM 0 H THR A 186 59.051 1.561 6.565 1.00 0.00 H new ATOM 0 HA THR A 186 59.169 -0.950 7.872 1.00 0.00 H new ATOM 0 HB THR A 186 56.746 0.816 7.327 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.391 1.806 9.344 1.00 0.00 H new ATOM 0 HG21 THR A 186 55.941 -0.112 9.479 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.222 -1.403 8.286 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.401 -1.123 9.590 1.00 0.00 H new ATOM 965 N ILE A 187 57.502 -0.852 5.037 1.00 0.00 N ATOM 966 CA ILE A 187 57.051 -1.707 3.931 1.00 0.00 C ATOM 967 C ILE A 187 58.124 -2.754 3.612 1.00 0.00 C ATOM 968 O ILE A 187 57.826 -3.935 3.432 1.00 0.00 O ATOM 969 CB ILE A 187 56.787 -0.851 2.678 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.668 0.160 2.964 1.00 0.00 C ATOM 971 CG2 ILE A 187 56.385 -1.753 1.505 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.524 1.129 1.786 1.00 0.00 C ATOM 0 H ILE A 187 57.503 0.146 4.825 1.00 0.00 H new ATOM 0 HA ILE A 187 56.130 -2.208 4.227 1.00 0.00 H new ATOM 0 HB ILE A 187 57.698 -0.312 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.727 -0.364 3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 187 55.891 0.714 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 187 56.200 -1.141 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 187 57.190 -2.458 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 187 55.479 -2.302 1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 187 54.728 1.843 1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.462 1.665 1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.280 0.570 0.883 1.00 0.00 H new ATOM 984 N MET A 188 59.371 -2.298 3.577 1.00 0.00 N ATOM 985 CA MET A 188 60.493 -3.179 3.282 1.00 0.00 C ATOM 986 C MET A 188 60.591 -4.303 4.312 1.00 0.00 C ATOM 987 O MET A 188 60.900 -5.441 3.971 1.00 0.00 O ATOM 988 CB MET A 188 61.794 -2.381 3.261 1.00 0.00 C ATOM 989 CG MET A 188 61.927 -1.677 1.918 1.00 0.00 C ATOM 990 SD MET A 188 62.413 -2.894 0.684 1.00 0.00 S ATOM 991 CE MET A 188 61.427 -2.229 -0.666 1.00 0.00 C ATOM 0 H MET A 188 59.629 -1.326 3.749 1.00 0.00 H new ATOM 0 HA MET A 188 60.327 -3.624 2.301 1.00 0.00 H new ATOM 0 HB2 MET A 188 61.800 -1.651 4.070 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.644 -3.044 3.424 1.00 0.00 H new ATOM 0 HG2 MET A 188 60.982 -1.211 1.639 1.00 0.00 H new ATOM 0 HG3 MET A 188 62.669 -0.881 1.979 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.717 -2.711 -1.600 1.00 0.00 H new ATOM 0 HE2 MET A 188 60.371 -2.418 -0.473 1.00 0.00 H new ATOM 0 HE3 MET A 188 61.595 -1.155 -0.744 1.00 0.00 H new ATOM 1001 N ALA A 189 60.316 -3.969 5.570 1.00 0.00 N ATOM 1002 CA ALA A 189 60.351 -4.956 6.655 1.00 0.00 C ATOM 1003 C ALA A 189 59.386 -6.123 6.406 1.00 0.00 C ATOM 1004 O ALA A 189 59.803 -7.279 6.369 1.00 0.00 O ATOM 1005 CB ALA A 189 59.992 -4.271 7.976 1.00 0.00 C ATOM 0 H ALA A 189 60.067 -3.026 5.867 1.00 0.00 H new ATOM 0 HA ALA A 189 61.360 -5.365 6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 189 60.017 -5.002 8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 189 60.711 -3.478 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 189 58.992 -3.844 7.904 1.00 0.00 H new ATOM 1011 N THR A 190 58.104 -5.814 6.184 1.00 0.00 N ATOM 1012 CA THR A 190 57.099 -6.859 5.909 1.00 0.00 C ATOM 1013 C THR A 190 57.526 -7.741 4.726 1.00 0.00 C ATOM 1014 O THR A 190 57.512 -8.971 4.817 1.00 0.00 O ATOM 1015 CB THR A 190 55.736 -6.214 5.588 1.00 0.00 C ATOM 1016 OG1 THR A 190 55.942 -4.945 4.982 1.00 0.00 O ATOM 1017 CG2 THR A 190 54.908 -6.044 6.865 1.00 0.00 C ATOM 0 H THR A 190 57.736 -4.863 6.188 1.00 0.00 H new ATOM 0 HA THR A 190 57.015 -7.481 6.800 1.00 0.00 H new ATOM 0 HB THR A 190 55.193 -6.865 4.903 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.696 -4.999 4.358 1.00 0.00 H new ATOM 0 HG21 THR A 190 53.949 -5.587 6.619 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.739 -7.019 7.321 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.446 -5.404 7.565 1.00 0.00 H new ATOM 1025 N LEU A 191 57.901 -7.096 3.625 1.00 0.00 N ATOM 1026 CA LEU A 191 58.296 -7.811 2.405 1.00 0.00 C ATOM 1027 C LEU A 191 59.477 -8.755 2.666 1.00 0.00 C ATOM 1028 O LEU A 191 59.400 -9.954 2.392 1.00 0.00 O ATOM 1029 CB LEU A 191 58.691 -6.794 1.333 1.00 0.00 C ATOM 1030 CG LEU A 191 57.441 -6.064 0.828 1.00 0.00 C ATOM 1031 CD1 LEU A 191 57.822 -4.645 0.389 1.00 0.00 C ATOM 1032 CD2 LEU A 191 56.848 -6.827 -0.362 1.00 0.00 C ATOM 0 H LEU A 191 57.941 -6.080 3.548 1.00 0.00 H new ATOM 0 HA LEU A 191 57.449 -8.410 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.402 -6.077 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 191 59.189 -7.299 0.505 1.00 0.00 H new ATOM 0 HG LEU A 191 56.702 -6.011 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 191 56.934 -4.125 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.243 -4.103 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.560 -4.698 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 191 55.959 -6.308 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.585 -6.881 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.577 -7.836 -0.049 1.00 0.00 H new ATOM 1044 N MET A 192 60.558 -8.197 3.195 1.00 0.00 N ATOM 1045 CA MET A 192 61.787 -8.953 3.435 1.00 0.00 C ATOM 1046 C MET A 192 61.656 -9.925 4.610 1.00 0.00 C ATOM 1047 O MET A 192 62.365 -10.931 4.671 1.00 0.00 O ATOM 1048 CB MET A 192 62.922 -7.981 3.717 1.00 0.00 C ATOM 1049 CG MET A 192 63.357 -7.320 2.405 1.00 0.00 C ATOM 1050 SD MET A 192 64.564 -8.373 1.560 1.00 0.00 S ATOM 1051 CE MET A 192 65.892 -8.214 2.780 1.00 0.00 C ATOM 0 H MET A 192 60.611 -7.216 3.469 1.00 0.00 H new ATOM 0 HA MET A 192 61.990 -9.543 2.541 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.599 -7.223 4.430 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.763 -8.507 4.170 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.490 -7.157 1.764 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.792 -6.341 2.607 1.00 0.00 H new ATOM 0 HE1 MET A 192 66.852 -8.161 2.267 1.00 0.00 H new ATOM 0 HE2 MET A 192 65.742 -7.307 3.365 1.00 0.00 H new ATOM 0 HE3 MET A 192 65.882 -9.079 3.443 1.00 0.00 H new ATOM 1061 N GLY A 193 60.748 -9.624 5.533 1.00 0.00 N ATOM 1062 CA GLY A 193 60.720 -10.294 6.828 1.00 0.00 C ATOM 1063 C GLY A 193 59.949 -11.614 6.764 1.00 0.00 C ATOM 1064 O GLY A 193 59.868 -12.337 7.757 1.00 0.00 O ATOM 0 H GLY A 193 60.021 -8.920 5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 193 61.740 -10.484 7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.259 -9.639 7.567 1.00 0.00 H new