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 133:sc= 1.23 USER MOD Set 1.2: A 172 GLN : amide:sc= 0.735 K(o=2,f=-1.8) USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 140 ASN : amide:sc= -0.0135 K(o=-0.014,f=-0.87) USER MOD Single : A 144 ASN : amide:sc= -0.156 K(o=-0.16,f=-0.81) 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= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot -160:sc= -0.862 USER MOD Single : A 152 SER OG : rot -97:sc= 1.27 USER MOD Single : A 154 MET CE :methyl -159:sc= -0.802 (180deg=-2.13!) USER MOD Single : A 155 MET CE :methyl 180:sc=-0.00152 (180deg=-0.00152) USER MOD Single : A 156 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00562) USER MOD Single : A 159 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.55) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 36:sc= -2.21 USER MOD Single : A 168 LYS NZ :NH3+ -122:sc= -0.332 (180deg=-0.701) USER MOD Single : A 169 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 170 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 180 THR OG1 : rot -38:sc= 0.997 USER MOD Single : A 185 MET CE :methyl -148:sc= -0.842 (180deg=-1.78) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl 180:sc= -5.83! (180deg=-5.83!) USER MOD Single : A 190 THR OG1 : rot 41:sc= 0.882 USER MOD Single : A 192 MET CE :methyl -144:sc= -0.275 (180deg=-1.41!) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 63.137 -1.218 -4.726 1.00 0.00 N ATOM 92 CA THR A 133 62.170 -0.869 -5.766 1.00 0.00 C ATOM 93 C THR A 133 61.431 -2.091 -6.278 1.00 0.00 C ATOM 94 O THR A 133 60.226 -2.040 -6.480 1.00 0.00 O ATOM 95 CB THR A 133 62.899 -0.183 -6.924 1.00 0.00 C ATOM 96 OG1 THR A 133 63.840 -1.085 -7.487 1.00 0.00 O ATOM 97 CG2 THR A 133 63.628 1.067 -6.411 1.00 0.00 C ATOM 0 HA THR A 133 61.433 -0.193 -5.332 1.00 0.00 H new ATOM 0 HB THR A 133 62.175 0.112 -7.684 1.00 0.00 H new ATOM 0 HG1 THR A 133 63.760 -1.074 -8.464 1.00 0.00 H new ATOM 0 HG21 THR A 133 64.145 1.552 -7.239 1.00 0.00 H new ATOM 0 HG22 THR A 133 62.904 1.759 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 133 64.352 0.779 -5.649 1.00 0.00 H new ATOM 105 N GLN A 134 62.143 -3.204 -6.430 1.00 0.00 N ATOM 106 CA GLN A 134 61.562 -4.400 -7.045 1.00 0.00 C ATOM 107 C GLN A 134 60.264 -4.827 -6.349 1.00 0.00 C ATOM 108 O GLN A 134 59.253 -5.064 -7.013 1.00 0.00 O ATOM 109 CB GLN A 134 62.569 -5.547 -7.002 1.00 0.00 C ATOM 110 CG GLN A 134 63.749 -5.227 -7.924 1.00 0.00 C ATOM 111 CD GLN A 134 64.794 -6.337 -7.847 1.00 0.00 C ATOM 112 OE1 GLN A 134 64.960 -6.969 -6.803 1.00 0.00 O ATOM 113 NE2 GLN A 134 65.515 -6.614 -8.900 1.00 0.00 N ATOM 0 H GLN A 134 63.115 -3.306 -6.139 1.00 0.00 H new ATOM 0 HA GLN A 134 61.321 -4.155 -8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 134 62.922 -5.697 -5.982 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.092 -6.476 -7.314 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.399 -5.118 -8.950 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.197 -4.276 -7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 134 65.377 -6.090 -9.764 1.00 0.00 H new ATOM 0 HE22 GLN A 134 66.216 -7.354 -8.858 1.00 0.00 H new ATOM 122 N LEU A 135 60.270 -4.849 -5.017 1.00 0.00 N ATOM 123 CA LEU A 135 59.113 -5.346 -4.270 1.00 0.00 C ATOM 124 C LEU A 135 57.851 -4.532 -4.562 1.00 0.00 C ATOM 125 O LEU A 135 56.833 -5.092 -4.972 1.00 0.00 O ATOM 126 CB LEU A 135 59.402 -5.298 -2.771 1.00 0.00 C ATOM 127 CG LEU A 135 60.226 -6.520 -2.360 1.00 0.00 C ATOM 128 CD1 LEU A 135 60.696 -6.354 -0.907 1.00 0.00 C ATOM 129 CD2 LEU A 135 59.362 -7.781 -2.484 1.00 0.00 C ATOM 0 H LEU A 135 61.049 -4.534 -4.439 1.00 0.00 H new ATOM 0 HA LEU A 135 58.937 -6.373 -4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 135 59.943 -4.384 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 135 58.467 -5.275 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 135 61.095 -6.612 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 135 61.283 -7.224 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 135 61.310 -5.457 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 135 59.829 -6.263 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 135 59.947 -8.653 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 135 58.493 -7.692 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.031 -7.895 -3.516 1.00 0.00 H new ATOM 141 N PHE A 136 57.919 -3.214 -4.357 1.00 0.00 N ATOM 142 CA PHE A 136 56.790 -2.346 -4.705 1.00 0.00 C ATOM 143 C PHE A 136 56.677 -2.027 -6.196 1.00 0.00 C ATOM 144 O PHE A 136 55.565 -1.862 -6.697 1.00 0.00 O ATOM 145 CB PHE A 136 56.677 -1.099 -3.812 1.00 0.00 C ATOM 146 CG PHE A 136 57.952 -0.552 -3.218 1.00 0.00 C ATOM 147 CD1 PHE A 136 58.943 0.072 -4.009 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.111 -0.629 -1.815 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.099 0.608 -3.383 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.259 -0.096 -1.199 1.00 0.00 C ATOM 151 CZ PHE A 136 60.253 0.522 -1.981 1.00 0.00 C ATOM 0 H PHE A 136 58.726 -2.732 -3.960 1.00 0.00 H new ATOM 0 HA PHE A 136 55.910 -2.950 -4.483 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.211 -0.306 -4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 136 55.997 -1.332 -2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.822 0.141 -5.080 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.348 -1.099 -1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.863 1.083 -3.980 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.377 -0.161 -0.127 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.134 0.931 -1.509 1.00 0.00 H new ATOM 161 N ALA A 137 57.787 -2.039 -6.926 1.00 0.00 N ATOM 162 CA ALA A 137 57.723 -1.825 -8.381 1.00 0.00 C ATOM 163 C ALA A 137 56.794 -2.861 -9.035 1.00 0.00 C ATOM 164 O ALA A 137 56.247 -2.628 -10.113 1.00 0.00 O ATOM 165 CB ALA A 137 59.117 -1.919 -9.004 1.00 0.00 C ATOM 0 H ALA A 137 58.724 -2.190 -6.553 1.00 0.00 H new ATOM 0 HA ALA A 137 57.325 -0.826 -8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 137 59.046 -1.758 -10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.764 -1.159 -8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.536 -2.907 -8.812 1.00 0.00 H new ATOM 171 N ASP A 138 56.628 -4.007 -8.366 1.00 0.00 N ATOM 172 CA ASP A 138 55.578 -4.973 -8.711 1.00 0.00 C ATOM 173 C ASP A 138 54.192 -4.306 -8.681 1.00 0.00 C ATOM 174 O ASP A 138 53.945 -3.430 -7.852 1.00 0.00 O ATOM 175 CB ASP A 138 55.615 -6.123 -7.686 1.00 0.00 C ATOM 176 CG ASP A 138 54.772 -7.323 -8.132 1.00 0.00 C ATOM 177 OD1 ASP A 138 54.038 -7.201 -9.094 1.00 0.00 O ATOM 178 OD2 ASP A 138 54.879 -8.356 -7.492 1.00 0.00 O ATOM 0 H ASP A 138 57.211 -4.290 -7.578 1.00 0.00 H new ATOM 0 HA ASP A 138 55.755 -5.351 -9.718 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.647 -6.441 -7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 138 55.250 -5.762 -6.724 1.00 0.00 H new ATOM 183 N PRO A 139 53.294 -4.698 -9.559 1.00 0.00 N ATOM 184 CA PRO A 139 51.840 -4.383 -9.384 1.00 0.00 C ATOM 185 C PRO A 139 51.260 -5.059 -8.144 1.00 0.00 C ATOM 186 O PRO A 139 51.854 -5.991 -7.602 1.00 0.00 O ATOM 187 CB PRO A 139 51.168 -4.905 -10.665 1.00 0.00 C ATOM 188 CG PRO A 139 52.188 -5.754 -11.342 1.00 0.00 C ATOM 189 CD PRO A 139 53.544 -5.199 -10.922 1.00 0.00 C ATOM 0 HA PRO A 139 51.675 -3.316 -9.236 1.00 0.00 H new ATOM 0 HB2 PRO A 139 50.273 -5.481 -10.430 1.00 0.00 H new ATOM 0 HB3 PRO A 139 50.857 -4.081 -11.307 1.00 0.00 H new ATOM 0 HG2 PRO A 139 52.085 -6.798 -11.046 1.00 0.00 H new ATOM 0 HG3 PRO A 139 52.070 -5.717 -12.425 1.00 0.00 H new ATOM 0 HD2 PRO A 139 54.315 -5.969 -10.933 1.00 0.00 H new ATOM 0 HD3 PRO A 139 53.878 -4.404 -11.589 1.00 0.00 H new ATOM 197 N ASN A 140 50.057 -4.617 -7.757 1.00 0.00 N ATOM 198 CA ASN A 140 49.474 -4.863 -6.416 1.00 0.00 C ATOM 199 C ASN A 140 50.446 -5.449 -5.379 1.00 0.00 C ATOM 200 O ASN A 140 50.428 -6.655 -5.115 1.00 0.00 O ATOM 201 CB ASN A 140 48.272 -5.810 -6.557 1.00 0.00 C ATOM 202 CG ASN A 140 47.284 -5.278 -7.594 1.00 0.00 C ATOM 203 OD1 ASN A 140 47.167 -4.067 -7.781 1.00 0.00 O ATOM 204 ND2 ASN A 140 46.576 -6.119 -8.296 1.00 0.00 N ATOM 0 H ASN A 140 49.448 -4.072 -8.367 1.00 0.00 H new ATOM 0 HA ASN A 140 49.187 -3.882 -6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.616 -6.802 -6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 140 47.773 -5.918 -5.594 1.00 0.00 H new ATOM 0 HD21 ASN A 140 45.925 -5.773 -9.001 1.00 0.00 H new ATOM 0 HD22 ASN A 140 46.674 -7.122 -8.140 1.00 0.00 H new ATOM 211 N LEU A 141 51.313 -4.610 -4.815 1.00 0.00 N ATOM 212 CA LEU A 141 51.934 -4.943 -3.532 1.00 0.00 C ATOM 213 C LEU A 141 51.382 -4.051 -2.404 1.00 0.00 C ATOM 214 O LEU A 141 51.463 -4.416 -1.230 1.00 0.00 O ATOM 215 CB LEU A 141 53.457 -4.762 -3.636 1.00 0.00 C ATOM 216 CG LEU A 141 54.141 -5.266 -2.357 1.00 0.00 C ATOM 217 CD1 LEU A 141 54.050 -6.799 -2.275 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.611 -4.832 -2.359 1.00 0.00 C ATOM 0 H LEU A 141 51.597 -3.715 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 141 51.700 -5.981 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.837 -5.308 -4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.695 -3.710 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 141 53.637 -4.838 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 141 54.539 -7.144 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 141 53.003 -7.101 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.544 -7.240 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 141 56.097 -5.189 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 141 56.114 -5.253 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.669 -3.744 -2.397 1.00 0.00 H new ATOM 230 N ILE A 142 50.699 -2.956 -2.767 1.00 0.00 N ATOM 231 CA ILE A 142 50.134 -2.064 -1.757 1.00 0.00 C ATOM 232 C ILE A 142 49.021 -2.757 -0.964 1.00 0.00 C ATOM 233 O ILE A 142 48.857 -2.485 0.224 1.00 0.00 O ATOM 234 CB ILE A 142 49.645 -0.741 -2.406 1.00 0.00 C ATOM 235 CG1 ILE A 142 50.864 0.170 -2.667 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.663 -0.002 -1.473 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.435 1.423 -3.451 1.00 0.00 C ATOM 0 H ILE A 142 50.529 -2.675 -3.733 1.00 0.00 H new ATOM 0 HA ILE A 142 50.921 -1.811 -1.046 1.00 0.00 H new ATOM 0 HB ILE A 142 49.133 -0.978 -3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.318 0.463 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.622 -0.377 -3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.334 0.922 -1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.799 -0.637 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.161 0.232 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.304 2.057 -3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 142 50.003 1.124 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 142 49.694 1.977 -2.875 1.00 0.00 H new ATOM 249 N GLU A 143 48.290 -3.686 -1.586 1.00 0.00 N ATOM 250 CA GLU A 143 47.121 -4.277 -0.923 1.00 0.00 C ATOM 251 C GLU A 143 47.537 -5.054 0.326 1.00 0.00 C ATOM 252 O GLU A 143 47.037 -4.809 1.424 1.00 0.00 O ATOM 253 CB GLU A 143 46.415 -5.230 -1.887 1.00 0.00 C ATOM 254 CG GLU A 143 45.748 -4.425 -3.001 1.00 0.00 C ATOM 255 CD GLU A 143 44.981 -5.358 -3.932 1.00 0.00 C ATOM 256 OE1 GLU A 143 45.621 -6.028 -4.726 1.00 0.00 O ATOM 257 OE2 GLU A 143 43.764 -5.388 -3.838 1.00 0.00 O ATOM 0 H GLU A 143 48.478 -4.039 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 143 46.450 -3.470 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.132 -5.933 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.669 -5.819 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.069 -3.688 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.502 -3.875 -3.564 1.00 0.00 H new ATOM 264 N ASN A 144 48.545 -5.911 0.174 1.00 0.00 N ATOM 265 CA ASN A 144 49.142 -6.604 1.318 1.00 0.00 C ATOM 266 C ASN A 144 49.597 -5.598 2.376 1.00 0.00 C ATOM 267 O ASN A 144 49.440 -5.822 3.578 1.00 0.00 O ATOM 268 CB ASN A 144 50.344 -7.423 0.841 1.00 0.00 C ATOM 269 CG ASN A 144 49.922 -8.407 -0.250 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.781 -8.873 -0.263 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.763 -8.712 -1.201 1.00 0.00 N ATOM 0 H ASN A 144 48.965 -6.143 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 144 48.395 -7.263 1.761 1.00 0.00 H new ATOM 0 HB2 ASN A 144 51.117 -6.756 0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.778 -7.966 1.681 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.476 -9.336 -1.955 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.707 -8.326 -1.190 1.00 0.00 H new ATOM 278 N LEU A 145 50.162 -4.493 1.905 1.00 0.00 N ATOM 279 CA LEU A 145 50.597 -3.416 2.788 1.00 0.00 C ATOM 280 C LEU A 145 49.428 -2.750 3.513 1.00 0.00 C ATOM 281 O LEU A 145 49.634 -2.090 4.528 1.00 0.00 O ATOM 282 CB LEU A 145 51.418 -2.385 2.012 1.00 0.00 C ATOM 283 CG LEU A 145 52.634 -3.078 1.381 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.420 -2.066 0.548 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.544 -3.652 2.478 1.00 0.00 C ATOM 0 H LEU A 145 50.330 -4.318 0.914 1.00 0.00 H new ATOM 0 HA LEU A 145 51.230 -3.863 3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.805 -1.923 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.745 -1.587 2.678 1.00 0.00 H new ATOM 0 HG LEU A 145 52.288 -3.892 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.284 -2.557 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.780 -1.667 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.758 -1.251 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.403 -4.141 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 145 53.889 -2.845 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 145 52.987 -4.378 3.070 1.00 0.00 H new ATOM 297 N LYS A 146 48.231 -2.803 2.928 1.00 0.00 N ATOM 298 CA LYS A 146 47.050 -2.247 3.592 1.00 0.00 C ATOM 299 C LYS A 146 46.781 -2.948 4.930 1.00 0.00 C ATOM 300 O LYS A 146 46.569 -2.291 5.951 1.00 0.00 O ATOM 301 CB LYS A 146 45.808 -2.393 2.703 1.00 0.00 C ATOM 302 CG LYS A 146 45.969 -1.546 1.440 1.00 0.00 C ATOM 303 CD LYS A 146 44.690 -1.627 0.605 1.00 0.00 C ATOM 304 CE LYS A 146 43.601 -0.771 1.254 1.00 0.00 C ATOM 305 NZ LYS A 146 42.345 -0.878 0.458 1.00 0.00 N ATOM 0 H LYS A 146 48.054 -3.217 2.013 1.00 0.00 H new ATOM 0 HA LYS A 146 47.252 -1.191 3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.664 -3.439 2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 146 44.919 -2.080 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.176 -0.510 1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.819 -1.901 0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 146 44.883 -1.280 -0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.357 -2.662 0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 146 43.425 -1.102 2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 146 43.924 0.269 1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 41.604 -0.296 0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 42.518 -0.542 -0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 42.035 -1.870 0.430 1.00 0.00 H new ATOM 319 N LYS A 147 46.756 -4.285 4.911 1.00 0.00 N ATOM 320 CA LYS A 147 46.171 -5.028 6.036 1.00 0.00 C ATOM 321 C LYS A 147 47.121 -5.260 7.230 1.00 0.00 C ATOM 322 O LYS A 147 46.712 -5.044 8.374 1.00 0.00 O ATOM 323 CB LYS A 147 45.669 -6.385 5.536 1.00 0.00 C ATOM 324 CG LYS A 147 44.496 -6.173 4.577 1.00 0.00 C ATOM 325 CD LYS A 147 44.005 -7.528 4.063 1.00 0.00 C ATOM 326 CE LYS A 147 43.265 -8.263 5.183 1.00 0.00 C ATOM 327 NZ LYS A 147 42.775 -9.577 4.676 1.00 0.00 N ATOM 0 H LYS A 147 47.122 -4.862 4.154 1.00 0.00 H new ATOM 0 HA LYS A 147 45.362 -4.401 6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.474 -6.919 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.357 -7.002 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.686 -5.650 5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 147 44.805 -5.545 3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 147 43.344 -7.386 3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 147 44.849 -8.125 3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 147 43.929 -8.414 6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 147 42.427 -7.662 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 42.272 -10.077 5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 42.128 -9.421 3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 43.583 -10.150 4.360 1.00 0.00 H new ATOM 341 N ASN A 148 48.377 -5.682 6.992 1.00 0.00 N ATOM 342 CA ASN A 148 49.201 -6.155 8.127 1.00 0.00 C ATOM 343 C ASN A 148 50.287 -5.168 8.607 1.00 0.00 C ATOM 344 O ASN A 148 50.768 -5.307 9.734 1.00 0.00 O ATOM 345 CB ASN A 148 49.887 -7.463 7.704 1.00 0.00 C ATOM 346 CG ASN A 148 50.605 -8.109 8.889 1.00 0.00 C ATOM 347 OD1 ASN A 148 49.963 -8.665 9.780 1.00 0.00 O ATOM 348 ND2 ASN A 148 51.908 -8.065 8.947 1.00 0.00 N ATOM 0 H ASN A 148 48.828 -5.707 6.077 1.00 0.00 H new ATOM 0 HA ASN A 148 48.519 -6.279 8.968 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.146 -8.154 7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.602 -7.262 6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.398 -8.492 9.733 1.00 0.00 H new ATOM 0 HD22 ASN A 148 52.436 -7.603 8.207 1.00 0.00 H new ATOM 355 N PRO A 149 50.684 -4.196 7.820 1.00 0.00 N ATOM 356 CA PRO A 149 51.730 -3.228 8.254 1.00 0.00 C ATOM 357 C PRO A 149 51.186 -1.833 8.548 1.00 0.00 C ATOM 358 O PRO A 149 50.240 -1.375 7.909 1.00 0.00 O ATOM 359 CB PRO A 149 52.689 -3.201 7.071 1.00 0.00 C ATOM 360 CG PRO A 149 51.846 -3.482 5.873 1.00 0.00 C ATOM 361 CD PRO A 149 50.542 -4.135 6.360 1.00 0.00 C ATOM 0 HA PRO A 149 52.191 -3.531 9.194 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.182 -2.232 6.986 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.474 -3.949 7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.633 -2.561 5.331 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.370 -4.143 5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.671 -3.547 6.070 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.412 -5.129 5.932 1.00 0.00 H new ATOM 369 N LYS A 150 51.844 -1.137 9.481 1.00 0.00 N ATOM 370 CA LYS A 150 51.506 0.260 9.784 1.00 0.00 C ATOM 371 C LYS A 150 51.628 1.143 8.531 1.00 0.00 C ATOM 372 O LYS A 150 51.040 2.222 8.467 1.00 0.00 O ATOM 373 CB LYS A 150 52.433 0.822 10.872 1.00 0.00 C ATOM 374 CG LYS A 150 52.523 -0.147 12.057 1.00 0.00 C ATOM 375 CD LYS A 150 53.240 0.535 13.224 1.00 0.00 C ATOM 376 CE LYS A 150 54.726 0.694 12.894 1.00 0.00 C ATOM 377 NZ LYS A 150 55.491 0.934 14.150 1.00 0.00 N ATOM 0 H LYS A 150 52.610 -1.515 10.038 1.00 0.00 H new ATOM 0 HA LYS A 150 50.475 0.272 10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.427 0.992 10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 150 52.060 1.788 11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.524 -0.458 12.362 1.00 0.00 H new ATOM 0 HG3 LYS A 150 53.061 -1.048 11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 150 52.794 1.511 13.417 1.00 0.00 H new ATOM 0 HD3 LYS A 150 53.120 -0.056 14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 150 55.097 -0.202 12.395 1.00 0.00 H new ATOM 0 HE3 LYS A 150 54.869 1.525 12.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 56.501 1.042 13.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 55.143 1.800 14.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 55.364 0.127 14.794 1.00 0.00 H new ATOM 391 N THR A 151 52.361 0.658 7.524 1.00 0.00 N ATOM 392 CA THR A 151 52.577 1.411 6.284 1.00 0.00 C ATOM 393 C THR A 151 51.237 1.760 5.602 1.00 0.00 C ATOM 394 O THR A 151 51.128 2.752 4.866 1.00 0.00 O ATOM 395 CB THR A 151 53.449 0.567 5.340 1.00 0.00 C ATOM 396 OG1 THR A 151 52.766 -0.634 5.016 1.00 0.00 O ATOM 397 CG2 THR A 151 54.778 0.228 6.027 1.00 0.00 C ATOM 0 H THR A 151 52.816 -0.255 7.543 1.00 0.00 H new ATOM 0 HA THR A 151 53.080 2.349 6.520 1.00 0.00 H new ATOM 0 HB THR A 151 53.648 1.133 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 151 53.409 -1.299 4.694 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.393 -0.370 5.355 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.304 1.149 6.277 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.583 -0.337 6.939 1.00 0.00 H new ATOM 405 N SER A 152 50.184 1.014 5.944 1.00 0.00 N ATOM 406 CA SER A 152 48.871 1.224 5.336 1.00 0.00 C ATOM 407 C SER A 152 48.307 2.614 5.630 1.00 0.00 C ATOM 408 O SER A 152 47.415 3.086 4.919 1.00 0.00 O ATOM 409 CB SER A 152 47.903 0.177 5.874 1.00 0.00 C ATOM 410 OG SER A 152 48.112 0.019 7.269 1.00 0.00 O ATOM 0 H SER A 152 50.215 0.264 6.635 1.00 0.00 H new ATOM 0 HA SER A 152 48.990 1.136 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.875 0.482 5.681 1.00 0.00 H new ATOM 0 HB3 SER A 152 48.055 -0.773 5.362 1.00 0.00 H new ATOM 0 HG SER A 152 48.691 -0.756 7.427 1.00 0.00 H new ATOM 416 N GLU A 153 48.856 3.298 6.638 1.00 0.00 N ATOM 417 CA GLU A 153 48.399 4.645 6.961 1.00 0.00 C ATOM 418 C GLU A 153 48.531 5.553 5.738 1.00 0.00 C ATOM 419 O GLU A 153 47.537 6.117 5.267 1.00 0.00 O ATOM 420 CB GLU A 153 49.219 5.211 8.121 1.00 0.00 C ATOM 421 CG GLU A 153 48.825 4.497 9.417 1.00 0.00 C ATOM 422 CD GLU A 153 49.419 5.219 10.626 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.541 5.689 10.526 1.00 0.00 O ATOM 424 OE2 GLU A 153 48.739 5.291 11.637 1.00 0.00 O ATOM 0 H GLU A 153 49.605 2.945 7.234 1.00 0.00 H new ATOM 0 HA GLU A 153 47.350 4.600 7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.283 5.077 7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 153 49.044 6.283 8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.739 4.462 9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 153 49.177 3.466 9.393 1.00 0.00 H new ATOM 431 N MET A 154 49.705 5.521 5.105 1.00 0.00 N ATOM 432 CA MET A 154 49.970 6.426 3.993 1.00 0.00 C ATOM 433 C MET A 154 49.063 6.108 2.816 1.00 0.00 C ATOM 434 O MET A 154 48.790 6.980 1.991 1.00 0.00 O ATOM 435 CB MET A 154 51.413 6.329 3.514 1.00 0.00 C ATOM 436 CG MET A 154 52.363 6.761 4.629 1.00 0.00 C ATOM 437 SD MET A 154 54.050 6.877 3.976 1.00 0.00 S ATOM 438 CE MET A 154 54.188 5.183 3.346 1.00 0.00 C ATOM 0 H MET A 154 50.472 4.890 5.339 1.00 0.00 H new ATOM 0 HA MET A 154 49.780 7.434 4.361 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.636 5.306 3.211 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.557 6.960 2.637 1.00 0.00 H new ATOM 0 HG2 MET A 154 52.051 7.724 5.034 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.328 6.044 5.449 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.240 4.918 3.242 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.708 4.496 4.043 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.699 5.115 2.374 1.00 0.00 H new ATOM 448 N MET A 155 48.652 4.840 2.679 1.00 0.00 N ATOM 449 CA MET A 155 47.841 4.445 1.531 1.00 0.00 C ATOM 450 C MET A 155 46.449 5.078 1.587 1.00 0.00 C ATOM 451 O MET A 155 45.931 5.542 0.569 1.00 0.00 O ATOM 452 CB MET A 155 47.692 2.916 1.493 1.00 0.00 C ATOM 453 CG MET A 155 49.075 2.248 1.476 1.00 0.00 C ATOM 454 SD MET A 155 49.934 2.634 -0.072 1.00 0.00 S ATOM 455 CE MET A 155 51.609 2.249 0.495 1.00 0.00 C ATOM 0 H MET A 155 48.864 4.089 3.335 1.00 0.00 H new ATOM 0 HA MET A 155 48.349 4.795 0.632 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.127 2.577 2.361 1.00 0.00 H new ATOM 0 HB3 MET A 155 47.126 2.620 0.609 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.665 2.594 2.325 1.00 0.00 H new ATOM 0 HG3 MET A 155 48.967 1.169 1.582 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.316 2.420 -0.317 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.864 2.890 1.339 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.657 1.205 0.804 1.00 0.00 H new ATOM 465 N LYS A 156 45.845 5.091 2.778 1.00 0.00 N ATOM 466 CA LYS A 156 44.422 5.406 2.895 1.00 0.00 C ATOM 467 C LYS A 156 44.163 6.912 3.012 1.00 0.00 C ATOM 468 O LYS A 156 43.037 7.364 2.794 1.00 0.00 O ATOM 469 CB LYS A 156 43.859 4.708 4.133 1.00 0.00 C ATOM 470 CG LYS A 156 43.791 3.201 3.883 1.00 0.00 C ATOM 471 CD LYS A 156 43.247 2.499 5.128 1.00 0.00 C ATOM 472 CE LYS A 156 41.731 2.690 5.203 1.00 0.00 C ATOM 473 NZ LYS A 156 41.061 1.694 4.321 1.00 0.00 N ATOM 0 H LYS A 156 46.312 4.890 3.662 1.00 0.00 H new ATOM 0 HA LYS A 156 43.931 5.056 1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.488 4.916 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.866 5.095 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 156 43.150 2.993 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.782 2.817 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 156 43.489 1.437 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 156 43.720 2.905 6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 156 41.389 2.570 6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 156 41.465 3.701 4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 40.169 2.091 3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 41.684 1.465 3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 40.862 0.829 4.863 1.00 0.00 H new ATOM 487 N ASP A 157 45.199 7.683 3.355 1.00 0.00 N ATOM 488 CA ASP A 157 45.042 9.136 3.467 1.00 0.00 C ATOM 489 C ASP A 157 45.893 9.885 2.425 1.00 0.00 C ATOM 490 O ASP A 157 45.366 10.319 1.400 1.00 0.00 O ATOM 491 CB ASP A 157 45.385 9.592 4.894 1.00 0.00 C ATOM 492 CG ASP A 157 44.112 9.753 5.723 1.00 0.00 C ATOM 493 OD1 ASP A 157 43.335 10.641 5.412 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.935 8.987 6.655 1.00 0.00 O ATOM 0 H ASP A 157 46.137 7.335 3.556 1.00 0.00 H new ATOM 0 HA ASP A 157 44.000 9.382 3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 157 46.044 8.864 5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 157 45.926 10.537 4.860 1.00 0.00 H new ATOM 499 N PRO A 158 47.178 10.040 2.650 1.00 0.00 N ATOM 500 CA PRO A 158 47.985 11.087 1.943 1.00 0.00 C ATOM 501 C PRO A 158 48.094 10.876 0.430 1.00 0.00 C ATOM 502 O PRO A 158 48.085 9.749 -0.064 1.00 0.00 O ATOM 503 CB PRO A 158 49.367 11.006 2.600 1.00 0.00 C ATOM 504 CG PRO A 158 49.443 9.637 3.176 1.00 0.00 C ATOM 505 CD PRO A 158 48.020 9.286 3.598 1.00 0.00 C ATOM 0 HA PRO A 158 47.508 12.062 2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 158 50.160 11.171 1.871 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.481 11.766 3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.821 8.924 2.443 1.00 0.00 H new ATOM 0 HG3 PRO A 158 50.122 9.608 4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.836 8.214 3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.824 9.580 4.629 1.00 0.00 H new ATOM 513 N GLN A 159 48.351 11.980 -0.275 1.00 0.00 N ATOM 514 CA GLN A 159 48.614 11.948 -1.720 1.00 0.00 C ATOM 515 C GLN A 159 49.851 11.100 -2.052 1.00 0.00 C ATOM 516 O GLN A 159 50.025 10.664 -3.195 1.00 0.00 O ATOM 517 CB GLN A 159 48.815 13.368 -2.248 1.00 0.00 C ATOM 518 CG GLN A 159 47.455 14.043 -2.449 1.00 0.00 C ATOM 519 CD GLN A 159 46.721 13.404 -3.623 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.301 13.220 -4.694 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.471 13.054 -3.487 1.00 0.00 N ATOM 0 H GLN A 159 48.383 12.914 0.133 1.00 0.00 H new ATOM 0 HA GLN A 159 47.749 11.493 -2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.418 13.945 -1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.361 13.342 -3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.857 13.951 -1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.593 15.109 -2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.992 13.207 -2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.973 12.627 -4.268 1.00 0.00 H new ATOM 530 N LEU A 160 50.681 10.828 -1.040 1.00 0.00 N ATOM 531 CA LEU A 160 51.988 10.214 -1.270 1.00 0.00 C ATOM 532 C LEU A 160 51.846 8.894 -2.036 1.00 0.00 C ATOM 533 O LEU A 160 52.780 8.459 -2.703 1.00 0.00 O ATOM 534 CB LEU A 160 52.683 9.952 0.069 1.00 0.00 C ATOM 535 CG LEU A 160 54.161 9.632 -0.169 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.894 10.893 -0.632 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.787 9.129 1.134 1.00 0.00 C ATOM 0 H LEU A 160 50.471 11.023 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 160 52.586 10.902 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.590 10.825 0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 160 52.200 9.122 0.584 1.00 0.00 H new ATOM 0 HG LEU A 160 54.246 8.863 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.946 10.661 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.449 11.253 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.810 11.664 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.840 8.900 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.700 9.899 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 160 54.268 8.229 1.463 1.00 0.00 H new ATOM 549 N VAL A 161 50.663 8.264 -1.949 1.00 0.00 N ATOM 550 CA VAL A 161 50.404 7.007 -2.659 1.00 0.00 C ATOM 551 C VAL A 161 50.620 7.180 -4.163 1.00 0.00 C ATOM 552 O VAL A 161 51.449 6.498 -4.762 1.00 0.00 O ATOM 553 CB VAL A 161 48.955 6.546 -2.423 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.793 5.100 -2.903 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.603 6.621 -0.932 1.00 0.00 C ATOM 0 H VAL A 161 49.876 8.605 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 161 51.099 6.260 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 161 48.286 7.202 -2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.766 4.774 -2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 161 49.023 5.042 -3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.474 4.454 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.575 6.291 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.276 5.976 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.708 7.649 -0.585 1.00 0.00 H new ATOM 565 N ALA A 162 49.914 8.148 -4.753 1.00 0.00 N ATOM 566 CA ALA A 162 49.968 8.355 -6.202 1.00 0.00 C ATOM 567 C ALA A 162 51.400 8.653 -6.627 1.00 0.00 C ATOM 568 O ALA A 162 51.977 7.956 -7.466 1.00 0.00 O ATOM 569 CB ALA A 162 49.072 9.535 -6.588 1.00 0.00 C ATOM 0 H ALA A 162 49.303 8.796 -4.255 1.00 0.00 H new ATOM 0 HA ALA A 162 49.620 7.452 -6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 162 49.114 9.686 -7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 162 48.045 9.324 -6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.418 10.436 -6.081 1.00 0.00 H new ATOM 575 N LYS A 163 52.019 9.580 -5.893 1.00 0.00 N ATOM 576 CA LYS A 163 53.393 9.994 -6.185 1.00 0.00 C ATOM 577 C LYS A 163 54.318 8.775 -6.217 1.00 0.00 C ATOM 578 O LYS A 163 54.926 8.475 -7.246 1.00 0.00 O ATOM 579 CB LYS A 163 53.880 10.981 -5.121 1.00 0.00 C ATOM 580 CG LYS A 163 52.997 12.232 -5.130 1.00 0.00 C ATOM 581 CD LYS A 163 53.255 13.034 -6.409 1.00 0.00 C ATOM 582 CE LYS A 163 52.496 14.361 -6.342 1.00 0.00 C ATOM 583 NZ LYS A 163 52.307 14.895 -7.719 1.00 0.00 N ATOM 0 H LYS A 163 51.594 10.056 -5.097 1.00 0.00 H new ATOM 0 HA LYS A 163 53.411 10.479 -7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.852 10.512 -4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.917 11.255 -5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.946 11.948 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 163 53.210 12.846 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 163 54.323 13.219 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 163 52.934 12.463 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 163 51.529 14.215 -5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 163 53.049 15.078 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 51.791 15.797 -7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 53.235 15.049 -8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 51.762 14.213 -8.284 1.00 0.00 H new ATOM 597 N LEU A 164 54.248 7.967 -5.158 1.00 0.00 N ATOM 598 CA LEU A 164 55.103 6.791 -5.030 1.00 0.00 C ATOM 599 C LEU A 164 54.881 5.810 -6.181 1.00 0.00 C ATOM 600 O LEU A 164 55.833 5.260 -6.717 1.00 0.00 O ATOM 601 CB LEU A 164 54.807 6.085 -3.705 1.00 0.00 C ATOM 602 CG LEU A 164 55.353 6.919 -2.542 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.841 6.344 -1.219 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.883 6.877 -2.554 1.00 0.00 C ATOM 0 H LEU A 164 53.607 8.108 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 164 56.140 7.125 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.732 5.943 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.262 5.095 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 164 55.017 7.951 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.229 6.937 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.751 6.373 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.178 5.312 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.270 7.471 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.220 5.846 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.251 7.285 -3.496 1.00 0.00 H new ATOM 616 N ILE A 165 53.625 5.648 -6.597 1.00 0.00 N ATOM 617 CA ILE A 165 53.273 4.604 -7.562 1.00 0.00 C ATOM 618 C ILE A 165 54.018 4.821 -8.884 1.00 0.00 C ATOM 619 O ILE A 165 54.543 3.868 -9.470 1.00 0.00 O ATOM 620 CB ILE A 165 51.742 4.563 -7.757 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.123 3.934 -6.502 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.366 3.711 -8.981 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.601 4.089 -6.523 1.00 0.00 C ATOM 0 H ILE A 165 52.840 6.220 -6.285 1.00 0.00 H new ATOM 0 HA ILE A 165 53.584 3.634 -7.175 1.00 0.00 H new ATOM 0 HB ILE A 165 51.371 5.575 -7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.387 2.878 -6.449 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.531 4.409 -5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.282 3.698 -9.096 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.821 4.138 -9.875 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.728 2.693 -8.840 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.177 3.638 -5.626 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.343 5.148 -6.553 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.197 3.592 -7.405 1.00 0.00 H new ATOM 635 N GLY A 166 54.161 6.080 -9.296 1.00 0.00 N ATOM 636 CA GLY A 166 54.957 6.382 -10.482 1.00 0.00 C ATOM 637 C GLY A 166 56.431 6.162 -10.166 1.00 0.00 C ATOM 638 O GLY A 166 57.154 5.478 -10.896 1.00 0.00 O ATOM 0 H GLY A 166 53.746 6.891 -8.837 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.652 5.744 -11.312 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.790 7.413 -10.794 1.00 0.00 H new ATOM 642 N TYR A 167 56.848 6.739 -9.042 1.00 0.00 N ATOM 643 CA TYR A 167 58.202 6.569 -8.519 1.00 0.00 C ATOM 644 C TYR A 167 58.523 5.101 -8.197 1.00 0.00 C ATOM 645 O TYR A 167 59.682 4.748 -7.991 1.00 0.00 O ATOM 646 CB TYR A 167 58.324 7.451 -7.268 1.00 0.00 C ATOM 647 CG TYR A 167 59.689 7.538 -6.638 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.735 8.222 -7.302 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.896 7.001 -5.347 1.00 0.00 C ATOM 650 CE1 TYR A 167 61.996 8.361 -6.678 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.157 7.133 -4.722 1.00 0.00 C ATOM 652 CZ TYR A 167 62.211 7.814 -5.388 1.00 0.00 C ATOM 653 OH TYR A 167 63.443 7.948 -4.777 1.00 0.00 O ATOM 0 H TYR A 167 56.256 7.339 -8.467 1.00 0.00 H new ATOM 0 HA TYR A 167 58.927 6.869 -9.276 1.00 0.00 H new ATOM 0 HB2 TYR A 167 58.004 8.460 -7.529 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.625 7.079 -6.519 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.570 8.638 -8.285 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.092 6.490 -4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.795 8.883 -7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.319 6.716 -3.739 1.00 0.00 H new ATOM 0 HH TYR A 167 63.827 8.821 -5.003 1.00 0.00 H new ATOM 663 N LYS A 168 57.488 4.271 -8.075 1.00 0.00 N ATOM 664 CA LYS A 168 57.680 2.834 -7.871 1.00 0.00 C ATOM 665 C LYS A 168 58.065 2.118 -9.168 1.00 0.00 C ATOM 666 O LYS A 168 58.988 1.301 -9.182 1.00 0.00 O ATOM 667 CB LYS A 168 56.397 2.224 -7.308 1.00 0.00 C ATOM 668 CG LYS A 168 56.338 2.460 -5.788 1.00 0.00 C ATOM 669 CD LYS A 168 54.951 2.092 -5.220 1.00 0.00 C ATOM 670 CE LYS A 168 54.449 0.764 -5.802 1.00 0.00 C ATOM 671 NZ LYS A 168 53.673 0.026 -4.766 1.00 0.00 N ATOM 0 H LYS A 168 56.512 4.566 -8.113 1.00 0.00 H new ATOM 0 HA LYS A 168 58.501 2.703 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.528 2.671 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.366 1.156 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 168 57.106 1.864 -5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 168 56.557 3.505 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 168 55.008 2.018 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 168 54.239 2.885 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 168 53.823 0.951 -6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 168 55.292 0.161 -6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 54.105 -0.907 -4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 53.679 0.566 -3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 52.692 -0.097 -5.089 1.00 0.00 H new ATOM 685 N GLN A 169 57.357 2.434 -10.250 1.00 0.00 N ATOM 686 CA GLN A 169 57.449 1.630 -11.471 1.00 0.00 C ATOM 687 C GLN A 169 58.773 1.847 -12.215 1.00 0.00 C ATOM 688 O GLN A 169 59.453 0.883 -12.574 1.00 0.00 O ATOM 689 CB GLN A 169 56.285 1.973 -12.403 1.00 0.00 C ATOM 690 CG GLN A 169 54.969 1.520 -11.765 1.00 0.00 C ATOM 691 CD GLN A 169 53.804 1.820 -12.701 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.941 1.714 -13.922 1.00 0.00 O ATOM 693 NE2 GLN A 169 52.656 2.192 -12.202 1.00 0.00 N ATOM 0 H GLN A 169 56.721 3.229 -10.309 1.00 0.00 H new ATOM 0 HA GLN A 169 57.404 0.583 -11.173 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.260 3.046 -12.591 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.421 1.484 -13.367 1.00 0.00 H new ATOM 0 HG2 GLN A 169 55.008 0.452 -11.551 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.822 2.031 -10.813 1.00 0.00 H new ATOM 0 HE21 GLN A 169 52.543 2.279 -11.192 1.00 0.00 H new ATOM 0 HE22 GLN A 169 51.872 2.395 -12.822 1.00 0.00 H new ATOM 702 N ASN A 170 59.137 3.112 -12.438 1.00 0.00 N ATOM 703 CA ASN A 170 60.247 3.428 -13.356 1.00 0.00 C ATOM 704 C ASN A 170 61.590 3.714 -12.650 1.00 0.00 C ATOM 705 O ASN A 170 62.637 3.280 -13.136 1.00 0.00 O ATOM 706 CB ASN A 170 59.867 4.643 -14.206 1.00 0.00 C ATOM 707 CG ASN A 170 60.724 4.686 -15.466 1.00 0.00 C ATOM 708 OD1 ASN A 170 60.654 3.782 -16.298 1.00 0.00 O ATOM 709 ND2 ASN A 170 61.537 5.689 -15.657 1.00 0.00 N ATOM 0 H ASN A 170 58.693 3.923 -12.008 1.00 0.00 H new ATOM 0 HA ASN A 170 60.400 2.538 -13.966 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.812 4.593 -14.475 1.00 0.00 H new ATOM 0 HB3 ASN A 170 60.006 5.558 -13.630 1.00 0.00 H new ATOM 0 HD21 ASN A 170 62.115 5.724 -16.497 1.00 0.00 H new ATOM 0 HD22 ASN A 170 61.594 6.438 -14.967 1.00 0.00 H new ATOM 716 N PRO A 171 61.596 4.409 -11.531 1.00 0.00 N ATOM 717 CA PRO A 171 62.849 5.008 -10.984 1.00 0.00 C ATOM 718 C PRO A 171 63.472 4.221 -9.831 1.00 0.00 C ATOM 719 O PRO A 171 63.105 4.396 -8.670 1.00 0.00 O ATOM 720 CB PRO A 171 62.424 6.398 -10.537 1.00 0.00 C ATOM 721 CG PRO A 171 60.992 6.270 -10.164 1.00 0.00 C ATOM 722 CD PRO A 171 60.435 5.015 -10.856 1.00 0.00 C ATOM 0 HA PRO A 171 63.636 5.010 -11.738 1.00 0.00 H new ATOM 0 HB2 PRO A 171 63.022 6.739 -9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.558 7.126 -11.337 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.885 6.189 -9.082 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.436 7.155 -10.474 1.00 0.00 H new ATOM 0 HD2 PRO A 171 59.995 4.328 -10.134 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.652 5.272 -11.570 1.00 0.00 H new ATOM 730 N GLN A 172 64.466 3.387 -10.156 1.00 0.00 N ATOM 731 CA GLN A 172 65.256 2.670 -9.130 1.00 0.00 C ATOM 732 C GLN A 172 65.733 3.595 -7.981 1.00 0.00 C ATOM 733 O GLN A 172 66.117 3.116 -6.908 1.00 0.00 O ATOM 734 CB GLN A 172 66.476 2.011 -9.781 1.00 0.00 C ATOM 735 CG GLN A 172 66.015 1.004 -10.840 1.00 0.00 C ATOM 736 CD GLN A 172 65.364 -0.202 -10.171 1.00 0.00 C ATOM 737 OE1 GLN A 172 64.179 -0.166 -9.842 1.00 0.00 O ATOM 738 NE2 GLN A 172 66.074 -1.275 -9.949 1.00 0.00 N ATOM 0 H GLN A 172 64.747 3.188 -11.116 1.00 0.00 H new ATOM 0 HA GLN A 172 64.597 1.918 -8.695 1.00 0.00 H new ATOM 0 HB2 GLN A 172 67.110 2.770 -10.239 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.077 1.508 -9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.307 1.478 -11.520 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.866 0.681 -11.440 1.00 0.00 H new ATOM 0 HE21 GLN A 172 67.056 -1.302 -10.223 1.00 0.00 H new ATOM 0 HE22 GLN A 172 65.646 -2.086 -9.502 1.00 0.00 H new ATOM 747 N ALA A 173 65.628 4.915 -8.176 1.00 0.00 N ATOM 748 CA ALA A 173 66.122 5.890 -7.208 1.00 0.00 C ATOM 749 C ALA A 173 65.460 5.739 -5.825 1.00 0.00 C ATOM 750 O ALA A 173 65.907 6.365 -4.865 1.00 0.00 O ATOM 751 CB ALA A 173 65.833 7.297 -7.732 1.00 0.00 C ATOM 0 H ALA A 173 65.201 5.331 -9.004 1.00 0.00 H new ATOM 0 HA ALA A 173 67.191 5.717 -7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.198 8.034 -7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.336 7.440 -8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.758 7.422 -7.865 1.00 0.00 H new ATOM 757 N ILE A 174 64.426 4.886 -5.707 1.00 0.00 N ATOM 758 CA ILE A 174 63.639 4.821 -4.468 1.00 0.00 C ATOM 759 C ILE A 174 64.531 4.510 -3.265 1.00 0.00 C ATOM 760 O ILE A 174 64.254 4.957 -2.153 1.00 0.00 O ATOM 761 CB ILE A 174 62.536 3.754 -4.577 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.715 4.004 -5.862 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.625 3.844 -3.336 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.464 3.118 -5.914 1.00 0.00 C ATOM 0 H ILE A 174 64.122 4.245 -6.440 1.00 0.00 H new ATOM 0 HA ILE A 174 63.178 5.798 -4.322 1.00 0.00 H new ATOM 0 HB ILE A 174 62.977 2.759 -4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.421 5.053 -5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.337 3.808 -6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 174 60.840 3.091 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.216 3.670 -2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.174 4.835 -3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.912 3.322 -6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.760 2.069 -5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.830 3.333 -5.054 1.00 0.00 H new ATOM 776 N GLY A 175 65.616 3.768 -3.501 1.00 0.00 N ATOM 777 CA GLY A 175 66.481 3.321 -2.410 1.00 0.00 C ATOM 778 C GLY A 175 66.997 4.495 -1.573 1.00 0.00 C ATOM 779 O GLY A 175 67.299 4.335 -0.389 1.00 0.00 O ATOM 0 H GLY A 175 65.913 3.467 -4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 175 65.930 2.632 -1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.326 2.768 -2.820 1.00 0.00 H new ATOM 783 N GLN A 176 67.095 5.672 -2.194 1.00 0.00 N ATOM 784 CA GLN A 176 67.594 6.857 -1.504 1.00 0.00 C ATOM 785 C GLN A 176 66.471 7.593 -0.778 1.00 0.00 C ATOM 786 O GLN A 176 66.703 8.233 0.250 1.00 0.00 O ATOM 787 CB GLN A 176 68.253 7.803 -2.510 1.00 0.00 C ATOM 788 CG GLN A 176 69.451 7.105 -3.158 1.00 0.00 C ATOM 789 CD GLN A 176 70.182 8.075 -4.082 1.00 0.00 C ATOM 790 OE1 GLN A 176 70.950 8.916 -3.617 1.00 0.00 O ATOM 791 NE2 GLN A 176 69.986 8.005 -5.370 1.00 0.00 N ATOM 0 H GLN A 176 66.836 5.827 -3.168 1.00 0.00 H new ATOM 0 HA GLN A 176 68.325 6.531 -0.764 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.533 8.097 -3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.577 8.715 -2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 176 70.131 6.741 -2.388 1.00 0.00 H new ATOM 0 HG3 GLN A 176 69.114 6.236 -3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 176 69.348 7.306 -5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 176 70.470 8.649 -5.995 1.00 0.00 H new ATOM 800 N ASP A 177 65.255 7.496 -1.317 1.00 0.00 N ATOM 801 CA ASP A 177 64.127 8.221 -0.751 1.00 0.00 C ATOM 802 C ASP A 177 63.604 7.529 0.505 1.00 0.00 C ATOM 803 O ASP A 177 62.896 8.148 1.296 1.00 0.00 O ATOM 804 CB ASP A 177 62.999 8.387 -1.782 1.00 0.00 C ATOM 805 CG ASP A 177 63.172 9.687 -2.583 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.015 10.494 -2.216 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.437 9.869 -3.537 1.00 0.00 O ATOM 0 H ASP A 177 65.032 6.929 -2.135 1.00 0.00 H new ATOM 0 HA ASP A 177 64.482 9.213 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 177 62.994 7.535 -2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.035 8.394 -1.274 1.00 0.00 H new ATOM 812 N LEU A 178 63.919 6.237 0.685 1.00 0.00 N ATOM 813 CA LEU A 178 63.575 5.550 1.938 1.00 0.00 C ATOM 814 C LEU A 178 64.135 6.342 3.131 1.00 0.00 C ATOM 815 O LEU A 178 63.434 6.617 4.104 1.00 0.00 O ATOM 816 CB LEU A 178 64.178 4.132 1.978 1.00 0.00 C ATOM 817 CG LEU A 178 63.887 3.325 0.703 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.730 2.052 0.739 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.409 2.923 0.647 1.00 0.00 C ATOM 0 H LEU A 178 64.400 5.659 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 178 62.489 5.481 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.256 4.205 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.780 3.597 2.840 1.00 0.00 H new ATOM 0 HG LEU A 178 64.125 3.934 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.539 1.463 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.787 2.316 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.467 1.466 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.221 2.352 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.165 2.312 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.788 3.819 0.648 1.00 0.00 H new ATOM 831 N PHE A 179 65.418 6.696 3.020 1.00 0.00 N ATOM 832 CA PHE A 179 66.092 7.527 4.020 1.00 0.00 C ATOM 833 C PHE A 179 65.284 8.791 4.347 1.00 0.00 C ATOM 834 O PHE A 179 65.316 9.280 5.478 1.00 0.00 O ATOM 835 CB PHE A 179 67.472 7.924 3.499 1.00 0.00 C ATOM 836 CG PHE A 179 68.437 6.766 3.404 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.198 6.383 4.535 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.580 6.062 2.183 1.00 0.00 C ATOM 839 CE1 PHE A 179 70.102 5.297 4.446 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.484 4.976 2.093 1.00 0.00 C ATOM 841 CZ PHE A 179 70.245 4.594 3.225 1.00 0.00 C ATOM 0 H PHE A 179 66.014 6.417 2.241 1.00 0.00 H new ATOM 0 HA PHE A 179 66.186 6.944 4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.363 8.377 2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 179 67.894 8.685 4.155 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.089 6.920 5.466 1.00 0.00 H new ATOM 0 HD2 PHE A 179 67.999 6.354 1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.682 5.005 5.309 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.593 4.439 1.162 1.00 0.00 H new ATOM 0 HZ PHE A 179 70.935 3.766 3.157 1.00 0.00 H new ATOM 851 N THR A 180 64.567 9.308 3.350 1.00 0.00 N ATOM 852 CA THR A 180 63.730 10.497 3.549 1.00 0.00 C ATOM 853 C THR A 180 62.309 10.106 3.984 1.00 0.00 C ATOM 854 O THR A 180 61.624 10.878 4.656 1.00 0.00 O ATOM 855 CB THR A 180 63.664 11.334 2.262 1.00 0.00 C ATOM 856 OG1 THR A 180 62.883 10.654 1.291 1.00 0.00 O ATOM 857 CG2 THR A 180 65.076 11.564 1.713 1.00 0.00 C ATOM 0 H THR A 180 64.546 8.929 2.403 1.00 0.00 H new ATOM 0 HA THR A 180 64.185 11.093 4.340 1.00 0.00 H new ATOM 0 HB THR A 180 63.207 12.298 2.488 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.057 9.691 1.347 1.00 0.00 H new ATOM 0 HG21 THR A 180 65.019 12.158 0.801 1.00 0.00 H new ATOM 0 HG22 THR A 180 65.673 12.094 2.455 1.00 0.00 H new ATOM 0 HG23 THR A 180 65.541 10.603 1.492 1.00 0.00 H new ATOM 865 N ASP A 181 61.878 8.904 3.591 1.00 0.00 N ATOM 866 CA ASP A 181 60.540 8.423 3.928 1.00 0.00 C ATOM 867 C ASP A 181 60.615 7.311 4.982 1.00 0.00 C ATOM 868 O ASP A 181 60.991 6.183 4.660 1.00 0.00 O ATOM 869 CB ASP A 181 59.840 7.888 2.673 1.00 0.00 C ATOM 870 CG ASP A 181 58.322 8.074 2.775 1.00 0.00 C ATOM 871 OD1 ASP A 181 57.845 8.420 3.846 1.00 0.00 O ATOM 872 OD2 ASP A 181 57.657 7.868 1.774 1.00 0.00 O ATOM 0 H ASP A 181 62.435 8.250 3.041 1.00 0.00 H new ATOM 0 HA ASP A 181 59.970 9.259 4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.216 8.408 1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 181 60.073 6.831 2.544 1.00 0.00 H new ATOM 877 N PRO A 182 60.248 7.590 6.219 1.00 0.00 N ATOM 878 CA PRO A 182 60.344 6.570 7.314 1.00 0.00 C ATOM 879 C PRO A 182 59.543 5.301 7.011 1.00 0.00 C ATOM 880 O PRO A 182 60.077 4.192 7.088 1.00 0.00 O ATOM 881 CB PRO A 182 59.780 7.284 8.550 1.00 0.00 C ATOM 882 CG PRO A 182 59.888 8.740 8.253 1.00 0.00 C ATOM 883 CD PRO A 182 59.754 8.880 6.741 1.00 0.00 C ATOM 0 HA PRO A 182 61.371 6.230 7.446 1.00 0.00 H new ATOM 0 HB2 PRO A 182 58.744 6.996 8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.344 7.023 9.445 1.00 0.00 H new ATOM 0 HG2 PRO A 182 59.106 9.300 8.766 1.00 0.00 H new ATOM 0 HG3 PRO A 182 60.843 9.137 8.597 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.720 9.060 6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.343 9.716 6.363 1.00 0.00 H new ATOM 891 N ARG A 183 58.267 5.472 6.664 1.00 0.00 N ATOM 892 CA ARG A 183 57.363 4.327 6.520 1.00 0.00 C ATOM 893 C ARG A 183 57.780 3.410 5.370 1.00 0.00 C ATOM 894 O ARG A 183 57.672 2.192 5.491 1.00 0.00 O ATOM 895 CB ARG A 183 55.920 4.792 6.303 1.00 0.00 C ATOM 896 CG ARG A 183 55.487 5.679 7.474 1.00 0.00 C ATOM 897 CD ARG A 183 54.012 6.050 7.313 1.00 0.00 C ATOM 898 NE ARG A 183 53.401 6.310 8.618 1.00 0.00 N ATOM 899 CZ ARG A 183 53.668 7.412 9.333 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.522 8.314 8.908 1.00 0.00 N ATOM 901 NH2 ARG A 183 53.060 7.591 10.473 1.00 0.00 N ATOM 0 H ARG A 183 57.839 6.379 6.479 1.00 0.00 H new ATOM 0 HA ARG A 183 57.425 3.761 7.449 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.842 5.344 5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.257 3.930 6.221 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.641 5.155 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 183 56.099 6.581 7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.920 6.933 6.680 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.481 5.241 6.811 1.00 0.00 H new ATOM 0 HE ARG A 183 52.747 5.626 8.998 1.00 0.00 H new ATOM 0 HH11 ARG A 183 54.999 8.184 8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.709 9.144 9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.392 6.897 10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.253 8.425 11.028 1.00 0.00 H new ATOM 915 N LEU A 184 58.309 3.984 4.278 1.00 0.00 N ATOM 916 CA LEU A 184 58.687 3.178 3.101 1.00 0.00 C ATOM 917 C LEU A 184 59.596 2.011 3.510 1.00 0.00 C ATOM 918 O LEU A 184 59.493 0.907 2.971 1.00 0.00 O ATOM 919 CB LEU A 184 59.414 4.049 2.061 1.00 0.00 C ATOM 920 CG LEU A 184 58.400 4.717 1.120 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.113 5.771 0.259 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.768 3.661 0.199 1.00 0.00 C ATOM 0 H LEU A 184 58.483 4.984 4.183 1.00 0.00 H new ATOM 0 HA LEU A 184 57.772 2.780 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 184 60.008 4.811 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.106 3.436 1.484 1.00 0.00 H new ATOM 0 HG LEU A 184 57.622 5.193 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.392 6.244 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.560 6.527 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 184 59.893 5.291 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 184 57.050 4.141 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.547 3.182 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.258 2.910 0.803 1.00 0.00 H new ATOM 934 N MET A 185 60.445 2.250 4.505 1.00 0.00 N ATOM 935 CA MET A 185 61.324 1.199 5.008 1.00 0.00 C ATOM 936 C MET A 185 60.521 0.107 5.715 1.00 0.00 C ATOM 937 O MET A 185 60.749 -1.074 5.496 1.00 0.00 O ATOM 938 CB MET A 185 62.360 1.784 5.964 1.00 0.00 C ATOM 939 CG MET A 185 63.359 2.624 5.174 1.00 0.00 C ATOM 940 SD MET A 185 64.630 3.263 6.293 1.00 0.00 S ATOM 941 CE MET A 185 65.804 3.792 5.023 1.00 0.00 C ATOM 0 H MET A 185 60.543 3.150 4.974 1.00 0.00 H new ATOM 0 HA MET A 185 61.838 0.754 4.156 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.869 2.398 6.719 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.878 0.983 6.491 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.819 2.021 4.391 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.846 3.449 4.680 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.821 3.685 5.401 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.681 3.174 4.133 1.00 0.00 H new ATOM 0 HE3 MET A 185 65.619 4.836 4.769 1.00 0.00 H new ATOM 951 N THR A 186 59.515 0.498 6.488 1.00 0.00 N ATOM 952 CA THR A 186 58.713 -0.478 7.234 1.00 0.00 C ATOM 953 C THR A 186 57.982 -1.418 6.267 1.00 0.00 C ATOM 954 O THR A 186 57.796 -2.603 6.554 1.00 0.00 O ATOM 955 CB THR A 186 57.698 0.256 8.127 1.00 0.00 C ATOM 956 OG1 THR A 186 58.384 1.206 8.930 1.00 0.00 O ATOM 957 CG2 THR A 186 56.961 -0.737 9.034 1.00 0.00 C ATOM 0 H THR A 186 59.234 1.470 6.617 1.00 0.00 H new ATOM 0 HA THR A 186 59.376 -1.073 7.862 1.00 0.00 H new ATOM 0 HB THR A 186 56.968 0.758 7.492 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.741 1.678 9.500 1.00 0.00 H new ATOM 0 HG21 THR A 186 56.247 -0.199 9.658 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.430 -1.465 8.421 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.681 -1.254 9.669 1.00 0.00 H new ATOM 965 N ILE A 187 57.591 -0.877 5.110 1.00 0.00 N ATOM 966 CA ILE A 187 57.061 -1.700 4.015 1.00 0.00 C ATOM 967 C ILE A 187 58.077 -2.788 3.657 1.00 0.00 C ATOM 968 O ILE A 187 57.728 -3.959 3.500 1.00 0.00 O ATOM 969 CB ILE A 187 56.795 -0.819 2.778 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.765 0.267 3.121 1.00 0.00 C ATOM 971 CG2 ILE A 187 56.265 -1.683 1.630 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.624 1.248 1.951 1.00 0.00 C ATOM 0 H ILE A 187 57.630 0.122 4.906 1.00 0.00 H new ATOM 0 HA ILE A 187 56.127 -2.162 4.334 1.00 0.00 H new ATOM 0 HB ILE A 187 57.728 -0.346 2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.801 -0.192 3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 187 56.074 0.802 4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 187 56.079 -1.056 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 187 57.002 -2.445 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 187 55.336 -2.164 1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 187 54.891 2.014 2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.587 1.719 1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.293 0.710 1.063 1.00 0.00 H new ATOM 984 N MET A 188 59.339 -2.382 3.585 1.00 0.00 N ATOM 985 CA MET A 188 60.420 -3.312 3.290 1.00 0.00 C ATOM 986 C MET A 188 60.503 -4.413 4.347 1.00 0.00 C ATOM 987 O MET A 188 60.768 -5.567 4.027 1.00 0.00 O ATOM 988 CB MET A 188 61.749 -2.569 3.226 1.00 0.00 C ATOM 989 CG MET A 188 61.857 -1.836 1.896 1.00 0.00 C ATOM 990 SD MET A 188 62.213 -3.036 0.599 1.00 0.00 S ATOM 991 CE MET A 188 61.054 -2.373 -0.607 1.00 0.00 C ATOM 0 H MET A 188 59.638 -1.417 3.727 1.00 0.00 H new ATOM 0 HA MET A 188 60.211 -3.772 2.324 1.00 0.00 H new ATOM 0 HB2 MET A 188 61.822 -1.860 4.051 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.576 -3.271 3.335 1.00 0.00 H new ATOM 0 HG2 MET A 188 60.928 -1.310 1.679 1.00 0.00 H new ATOM 0 HG3 MET A 188 62.645 -1.085 1.942 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.097 -2.969 -1.519 1.00 0.00 H new ATOM 0 HE2 MET A 188 60.044 -2.407 -0.198 1.00 0.00 H new ATOM 0 HE3 MET A 188 61.318 -1.340 -0.836 1.00 0.00 H new ATOM 1001 N ALA A 189 60.284 -4.041 5.607 1.00 0.00 N ATOM 1002 CA ALA A 189 60.333 -5.002 6.715 1.00 0.00 C ATOM 1003 C ALA A 189 59.348 -6.167 6.518 1.00 0.00 C ATOM 1004 O ALA A 189 59.756 -7.328 6.502 1.00 0.00 O ATOM 1005 CB ALA A 189 60.024 -4.275 8.027 1.00 0.00 C ATOM 0 H ALA A 189 60.071 -3.084 5.889 1.00 0.00 H new ATOM 0 HA ALA A 189 61.336 -5.428 6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 189 60.059 -4.985 8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 189 60.763 -3.490 8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 189 59.030 -3.831 7.972 1.00 0.00 H new ATOM 1011 N THR A 190 58.064 -5.853 6.317 1.00 0.00 N ATOM 1012 CA THR A 190 57.049 -6.894 6.055 1.00 0.00 C ATOM 1013 C THR A 190 57.457 -7.776 4.864 1.00 0.00 C ATOM 1014 O THR A 190 57.442 -9.004 4.949 1.00 0.00 O ATOM 1015 CB THR A 190 55.688 -6.242 5.743 1.00 0.00 C ATOM 1016 OG1 THR A 190 55.895 -4.976 5.132 1.00 0.00 O ATOM 1017 CG2 THR A 190 54.866 -6.067 7.024 1.00 0.00 C ATOM 0 H THR A 190 57.700 -4.900 6.329 1.00 0.00 H new ATOM 0 HA THR A 190 56.972 -7.513 6.949 1.00 0.00 H new ATOM 0 HB THR A 190 55.138 -6.892 5.063 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.632 -5.039 4.490 1.00 0.00 H new ATOM 0 HG21 THR A 190 53.909 -5.605 6.782 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.693 -7.041 7.481 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.410 -5.430 7.721 1.00 0.00 H new ATOM 1025 N LEU A 191 57.816 -7.124 3.764 1.00 0.00 N ATOM 1026 CA LEU A 191 58.160 -7.825 2.522 1.00 0.00 C ATOM 1027 C LEU A 191 59.364 -8.751 2.721 1.00 0.00 C ATOM 1028 O LEU A 191 59.295 -9.949 2.445 1.00 0.00 O ATOM 1029 CB LEU A 191 58.503 -6.804 1.435 1.00 0.00 C ATOM 1030 CG LEU A 191 57.243 -6.049 0.992 1.00 0.00 C ATOM 1031 CD1 LEU A 191 57.626 -4.632 0.542 1.00 0.00 C ATOM 1032 CD2 LEU A 191 56.588 -6.794 -0.175 1.00 0.00 C ATOM 0 H LEU A 191 57.878 -6.108 3.702 1.00 0.00 H new ATOM 0 HA LEU A 191 57.299 -8.425 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.244 -6.098 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 191 58.950 -7.311 0.580 1.00 0.00 H new ATOM 0 HG LEU A 191 56.543 -5.989 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 191 56.731 -4.096 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.094 -4.101 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.325 -4.692 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 191 55.692 -6.259 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.289 -6.853 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.316 -7.801 0.143 1.00 0.00 H new ATOM 1044 N MET A 192 60.461 -8.175 3.203 1.00 0.00 N ATOM 1045 CA MET A 192 61.716 -8.905 3.358 1.00 0.00 C ATOM 1046 C MET A 192 61.659 -9.899 4.511 1.00 0.00 C ATOM 1047 O MET A 192 62.378 -10.900 4.507 1.00 0.00 O ATOM 1048 CB MET A 192 62.852 -7.925 3.605 1.00 0.00 C ATOM 1049 CG MET A 192 63.252 -7.268 2.282 1.00 0.00 C ATOM 1050 SD MET A 192 64.421 -8.335 1.400 1.00 0.00 S ATOM 1051 CE MET A 192 65.819 -8.131 2.532 1.00 0.00 C ATOM 0 H MET A 192 60.506 -7.199 3.495 1.00 0.00 H new ATOM 0 HA MET A 192 61.886 -9.462 2.437 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.542 -7.165 4.322 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.707 -8.444 4.039 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.368 -7.096 1.668 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.704 -6.294 2.470 1.00 0.00 H new ATOM 0 HE1 MET A 192 66.749 -8.121 1.964 1.00 0.00 H new ATOM 0 HE2 MET A 192 65.715 -7.191 3.074 1.00 0.00 H new ATOM 0 HE3 MET A 192 65.836 -8.958 3.241 1.00 0.00 H new ATOM 1061 N GLY A 193 60.805 -9.624 5.493 1.00 0.00 N ATOM 1062 CA GLY A 193 60.709 -10.486 6.660 1.00 0.00 C ATOM 1063 C GLY A 193 59.712 -11.614 6.388 1.00 0.00 C ATOM 1064 O GLY A 193 59.633 -12.588 7.138 1.00 0.00 O ATOM 0 H GLY A 193 60.177 -8.820 5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 193 61.688 -10.902 6.898 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.390 -9.907 7.527 1.00 0.00 H new