USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 545 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 309 HIS : no HE2:sc= -26.8! C(o=-30!,f=-35!) USER MOD Set 1.2: A 312 CYS SG : rot 180:sc= -2.87 USER MOD Single : A 249 MET CE :methyl -128:sc= -0.161 (180deg=-4.61!) USER MOD Single : A 251 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.5!) USER MOD Single : A 252 CYS SG : rot 8:sc= -3.94 USER MOD Single : A 254 SER OG : rot 92:sc= -0.173! USER MOD Single : A 260 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 263 THR OG1 : rot 180:sc= 0 USER MOD Single : A 267 GLN : amide:sc= -0.519 K(o=-0.52,f=-2.4!) USER MOD Single : A 275 SER OG : rot 85:sc= -0.281 USER MOD Single : A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 278 THR OG1 : rot 180:sc=-0.00685 USER MOD Single : A 279 THR OG1 : rot 180:sc= 0.0063 USER MOD Single : A 280 ASN : amide:sc= -1.6 X(o=-1.6,f=-2.1!) USER MOD Single : A 281 ASN :FLIP amide:sc= -1.46 F(o=-2.7!,f=-1.5) USER MOD Single : A 284 ASN : amide:sc= -0.59 K(o=-0.59,f=-2!) USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 ASN : amide:sc= -0.005 X(o=-0.005,f=-0.32) USER MOD Single : A 299 SER OG : rot 78:sc= 0.503 USER MOD Single : A 300 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 302 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.2!) USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 MET CE :methyl -139:sc= -1.44 (180deg=-3.96!) USER MOD Single : A 310 THR OG1 : rot -62:sc= 0.691 USER MOD Single : A 311 ASN : amide:sc= -2.28 K(o=-2.3,f=-9.9!) USER MOD ----------------------------------------------------------------- ATOM 75 N ARG A 247 -6.644 -15.196 3.259 1.00 0.00 N ATOM 76 CA ARG A 247 -5.739 -14.468 2.375 1.00 0.00 C ATOM 77 C ARG A 247 -6.031 -12.990 2.392 1.00 0.00 C ATOM 78 O ARG A 247 -6.907 -12.514 3.113 1.00 0.00 O ATOM 79 CB ARG A 247 -5.829 -15.010 0.948 1.00 0.00 C ATOM 80 CG ARG A 247 -7.257 -15.214 0.464 1.00 0.00 C ATOM 81 CD ARG A 247 -7.676 -16.672 0.558 1.00 0.00 C ATOM 82 NE ARG A 247 -7.690 -17.324 -0.750 1.00 0.00 N ATOM 83 CZ ARG A 247 -8.347 -18.452 -1.009 1.00 0.00 C ATOM 84 NH1 ARG A 247 -9.043 -19.057 -0.055 1.00 0.00 N ATOM 85 NH2 ARG A 247 -8.307 -18.976 -2.226 1.00 0.00 N ATOM 0 HA ARG A 247 -4.724 -14.617 2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 247 -5.320 -14.321 0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 247 -5.297 -15.960 0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 247 -7.934 -14.601 1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 247 -7.344 -14.876 -0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 247 -6.993 -17.203 1.220 1.00 0.00 H new ATOM 0 HD3 ARG A 247 -8.668 -16.736 1.005 1.00 0.00 H new ATOM 0 HE ARG A 247 -7.165 -16.889 -1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 247 -9.077 -18.658 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 247 -9.544 -19.921 -0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 247 -7.773 -18.515 -2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 247 -8.810 -19.841 -2.426 1.00 0.00 H new ATOM 99 N TRP A 248 -5.233 -12.270 1.635 1.00 0.00 N ATOM 100 CA TRP A 248 -5.333 -10.829 1.594 1.00 0.00 C ATOM 101 C TRP A 248 -5.189 -10.235 0.202 1.00 0.00 C ATOM 102 O TRP A 248 -4.848 -10.911 -0.767 1.00 0.00 O ATOM 103 CB TRP A 248 -4.244 -10.258 2.477 1.00 0.00 C ATOM 104 CG TRP A 248 -4.612 -10.148 3.912 1.00 0.00 C ATOM 105 CD1 TRP A 248 -4.161 -10.931 4.928 1.00 0.00 C ATOM 106 CD2 TRP A 248 -5.504 -9.199 4.487 1.00 0.00 C ATOM 107 NE1 TRP A 248 -4.682 -10.489 6.124 1.00 0.00 N ATOM 108 CE2 TRP A 248 -5.521 -9.425 5.872 1.00 0.00 C ATOM 109 CE3 TRP A 248 -6.279 -8.171 3.960 1.00 0.00 C ATOM 110 CZ2 TRP A 248 -6.289 -8.641 6.735 1.00 0.00 C ATOM 111 CZ3 TRP A 248 -7.045 -7.407 4.812 1.00 0.00 C ATOM 112 CH2 TRP A 248 -7.042 -7.642 6.188 1.00 0.00 C ATOM 0 H TRP A 248 -4.505 -12.661 1.037 1.00 0.00 H new ATOM 0 HA TRP A 248 -6.334 -10.569 1.938 1.00 0.00 H new ATOM 0 HB2 TRP A 248 -3.356 -10.884 2.389 1.00 0.00 H new ATOM 0 HB3 TRP A 248 -3.974 -9.269 2.107 1.00 0.00 H new ATOM 0 HD1 TRP A 248 -3.494 -11.773 4.814 1.00 0.00 H new ATOM 0 HE1 TRP A 248 -4.481 -10.883 7.043 1.00 0.00 H new ATOM 0 HE3 TRP A 248 -6.280 -7.975 2.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 248 -6.288 -8.819 7.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 248 -7.657 -6.614 4.409 1.00 0.00 H new ATOM 0 HH2 TRP A 248 -7.647 -7.022 6.832 1.00 0.00 H new ATOM 123 N MET A 249 -5.428 -8.934 0.169 1.00 0.00 N ATOM 124 CA MET A 249 -5.325 -8.101 -1.021 1.00 0.00 C ATOM 125 C MET A 249 -5.285 -6.655 -0.548 1.00 0.00 C ATOM 126 O MET A 249 -6.278 -5.930 -0.613 1.00 0.00 O ATOM 127 CB MET A 249 -6.510 -8.291 -1.945 1.00 0.00 C ATOM 128 CG MET A 249 -6.818 -9.741 -2.277 1.00 0.00 C ATOM 129 SD MET A 249 -8.008 -9.906 -3.622 1.00 0.00 S ATOM 130 CE MET A 249 -9.483 -9.247 -2.851 1.00 0.00 C ATOM 0 H MET A 249 -5.709 -8.410 0.998 1.00 0.00 H new ATOM 0 HA MET A 249 -4.431 -8.374 -1.581 1.00 0.00 H new ATOM 0 HB2 MET A 249 -7.390 -7.841 -1.485 1.00 0.00 H new ATOM 0 HB3 MET A 249 -6.323 -7.750 -2.873 1.00 0.00 H new ATOM 0 HG2 MET A 249 -5.894 -10.252 -2.549 1.00 0.00 H new ATOM 0 HG3 MET A 249 -7.208 -10.239 -1.389 1.00 0.00 H new ATOM 0 HE1 MET A 249 -10.302 -9.958 -2.965 1.00 0.00 H new ATOM 0 HE2 MET A 249 -9.295 -9.077 -1.791 1.00 0.00 H new ATOM 0 HE3 MET A 249 -9.752 -8.304 -3.327 1.00 0.00 H new ATOM 140 N VAL A 250 -4.146 -6.281 -0.014 1.00 0.00 N ATOM 141 CA VAL A 250 -3.947 -4.956 0.563 1.00 0.00 C ATOM 142 C VAL A 250 -4.280 -3.832 -0.398 1.00 0.00 C ATOM 143 O VAL A 250 -4.183 -3.984 -1.615 1.00 0.00 O ATOM 144 CB VAL A 250 -2.505 -4.769 1.069 1.00 0.00 C ATOM 145 CG1 VAL A 250 -1.499 -5.240 0.038 1.00 0.00 C ATOM 146 CG2 VAL A 250 -2.252 -3.315 1.447 1.00 0.00 C ATOM 0 H VAL A 250 -3.324 -6.883 0.037 1.00 0.00 H new ATOM 0 HA VAL A 250 -4.641 -4.902 1.401 1.00 0.00 H new ATOM 0 HB VAL A 250 -2.380 -5.382 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 250 -0.489 -5.096 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 250 -1.660 -6.298 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 250 -1.623 -4.666 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 250 -1.227 -3.204 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 250 -2.404 -2.680 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 250 -2.943 -3.019 2.236 1.00 0.00 H new ATOM 156 N GLN A 251 -4.650 -2.688 0.175 1.00 0.00 N ATOM 157 CA GLN A 251 -4.969 -1.519 -0.611 1.00 0.00 C ATOM 158 C GLN A 251 -4.638 -0.282 0.186 1.00 0.00 C ATOM 159 O GLN A 251 -5.488 0.563 0.462 1.00 0.00 O ATOM 160 CB GLN A 251 -6.435 -1.538 -1.015 1.00 0.00 C ATOM 161 CG GLN A 251 -6.857 -0.341 -1.850 1.00 0.00 C ATOM 162 CD GLN A 251 -8.070 -0.630 -2.713 1.00 0.00 C ATOM 163 OE1 GLN A 251 -9.205 -0.604 -2.237 1.00 0.00 O ATOM 164 NE2 GLN A 251 -7.835 -0.908 -3.989 1.00 0.00 N ATOM 0 H GLN A 251 -4.733 -2.555 1.183 1.00 0.00 H new ATOM 0 HA GLN A 251 -4.376 -1.517 -1.525 1.00 0.00 H new ATOM 0 HB2 GLN A 251 -6.635 -2.450 -1.577 1.00 0.00 H new ATOM 0 HB3 GLN A 251 -7.050 -1.576 -0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 251 -7.077 0.498 -1.190 1.00 0.00 H new ATOM 0 HG3 GLN A 251 -6.027 -0.036 -2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 251 -6.878 -0.918 -4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 251 -8.612 -1.111 -4.618 1.00 0.00 H new ATOM 173 N CYS A 252 -3.374 -0.205 0.552 1.00 0.00 N ATOM 174 CA CYS A 252 -2.861 0.904 1.328 1.00 0.00 C ATOM 175 C CYS A 252 -2.438 2.033 0.412 1.00 0.00 C ATOM 176 O CYS A 252 -1.279 2.449 0.409 1.00 0.00 O ATOM 177 CB CYS A 252 -1.679 0.446 2.187 1.00 0.00 C ATOM 178 SG CYS A 252 -2.094 -0.812 3.418 1.00 0.00 S ATOM 0 H CYS A 252 -2.674 -0.910 0.319 1.00 0.00 H new ATOM 0 HA CYS A 252 -3.651 1.266 1.986 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -0.900 0.054 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -1.259 1.313 2.698 1.00 0.00 H new ATOM 0 HG CYS A 252 -3.314 -1.219 3.228 1.00 0.00 H new ATOM 184 N GLY A 253 -3.383 2.514 -0.383 1.00 0.00 N ATOM 185 CA GLY A 253 -3.080 3.577 -1.310 1.00 0.00 C ATOM 186 C GLY A 253 -4.227 4.523 -1.536 1.00 0.00 C ATOM 187 O GLY A 253 -5.246 4.472 -0.848 1.00 0.00 O ATOM 0 H GLY A 253 -4.349 2.187 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 253 -2.224 4.140 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 253 -2.785 3.142 -2.265 1.00 0.00 H new ATOM 191 N SER A 254 -4.057 5.371 -2.537 1.00 0.00 N ATOM 192 CA SER A 254 -5.068 6.335 -2.927 1.00 0.00 C ATOM 193 C SER A 254 -5.131 7.505 -1.961 1.00 0.00 C ATOM 194 O SER A 254 -6.163 7.769 -1.343 1.00 0.00 O ATOM 195 CB SER A 254 -6.443 5.657 -3.054 1.00 0.00 C ATOM 196 OG SER A 254 -6.325 4.244 -3.059 1.00 0.00 O ATOM 0 H SER A 254 -3.209 5.409 -3.103 1.00 0.00 H new ATOM 0 HA SER A 254 -4.786 6.732 -3.902 1.00 0.00 H new ATOM 0 HB2 SER A 254 -7.081 5.967 -2.227 1.00 0.00 H new ATOM 0 HB3 SER A 254 -6.929 5.986 -3.972 1.00 0.00 H new ATOM 0 HG SER A 254 -6.403 3.906 -2.142 1.00 0.00 H new ATOM 202 N PHE A 255 -4.013 8.208 -1.842 1.00 0.00 N ATOM 203 CA PHE A 255 -3.933 9.365 -0.950 1.00 0.00 C ATOM 204 C PHE A 255 -3.871 10.675 -1.723 1.00 0.00 C ATOM 205 O PHE A 255 -3.265 10.748 -2.791 1.00 0.00 O ATOM 206 CB PHE A 255 -2.703 9.275 -0.036 1.00 0.00 C ATOM 207 CG PHE A 255 -2.040 7.932 -0.038 1.00 0.00 C ATOM 208 CD1 PHE A 255 -2.661 6.863 0.578 1.00 0.00 C ATOM 209 CD2 PHE A 255 -0.806 7.728 -0.658 1.00 0.00 C ATOM 210 CE1 PHE A 255 -2.078 5.617 0.582 1.00 0.00 C ATOM 211 CE2 PHE A 255 -0.226 6.486 -0.655 1.00 0.00 C ATOM 212 CZ PHE A 255 -0.859 5.426 -0.038 1.00 0.00 C ATOM 0 H PHE A 255 -3.151 8.002 -2.347 1.00 0.00 H new ATOM 0 HA PHE A 255 -4.841 9.352 -0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 255 -1.978 10.027 -0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 255 -3.002 9.520 0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 255 -3.616 7.007 1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 255 -0.306 8.553 -1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 255 -2.573 4.790 1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 255 0.729 6.336 -1.137 1.00 0.00 H new ATOM 0 HZ PHE A 255 -0.401 4.448 -0.040 1.00 0.00 H new ATOM 222 N ARG A 256 -4.460 11.727 -1.145 1.00 0.00 N ATOM 223 CA ARG A 256 -4.435 13.054 -1.757 1.00 0.00 C ATOM 224 C ARG A 256 -3.031 13.362 -2.263 1.00 0.00 C ATOM 225 O ARG A 256 -2.849 14.094 -3.236 1.00 0.00 O ATOM 226 CB ARG A 256 -4.876 14.117 -0.749 1.00 0.00 C ATOM 227 CG ARG A 256 -6.321 13.965 -0.300 1.00 0.00 C ATOM 228 CD ARG A 256 -6.665 14.938 0.817 1.00 0.00 C ATOM 229 NE ARG A 256 -6.508 16.331 0.402 1.00 0.00 N ATOM 230 CZ ARG A 256 -5.387 17.034 0.556 1.00 0.00 C ATOM 231 NH1 ARG A 256 -4.314 16.483 1.110 1.00 0.00 N ATOM 232 NH2 ARG A 256 -5.340 18.297 0.152 1.00 0.00 N ATOM 0 H ARG A 256 -4.958 11.683 -0.256 1.00 0.00 H new ATOM 0 HA ARG A 256 -5.129 13.066 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 256 -4.226 14.070 0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 256 -4.744 15.104 -1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 256 -6.986 14.133 -1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 256 -6.491 12.944 0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 256 -7.693 14.770 1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 256 -6.025 14.742 1.677 1.00 0.00 H new ATOM 0 HE ARG A 256 -7.307 16.793 -0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 256 -4.343 15.512 1.422 1.00 0.00 H new ATOM 0 HH12 ARG A 256 -3.461 17.030 1.223 1.00 0.00 H new ATOM 0 HH21 ARG A 256 -6.161 18.727 -0.275 1.00 0.00 H new ATOM 0 HH22 ARG A 256 -4.483 18.838 0.268 1.00 0.00 H new ATOM 246 N GLY A 257 -2.045 12.760 -1.605 1.00 0.00 N ATOM 247 CA GLY A 257 -0.667 12.926 -1.994 1.00 0.00 C ATOM 248 C GLY A 257 -0.374 12.195 -3.289 1.00 0.00 C ATOM 249 O GLY A 257 0.483 11.325 -3.329 1.00 0.00 O ATOM 0 H GLY A 257 -2.186 12.152 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 257 -0.445 13.986 -2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 257 -0.015 12.550 -1.205 1.00 0.00 H new ATOM 253 N ALA A 258 -1.108 12.541 -4.346 1.00 0.00 N ATOM 254 CA ALA A 258 -0.951 11.905 -5.655 1.00 0.00 C ATOM 255 C ALA A 258 0.515 11.700 -6.004 1.00 0.00 C ATOM 256 O ALA A 258 0.916 10.621 -6.443 1.00 0.00 O ATOM 257 CB ALA A 258 -1.638 12.736 -6.728 1.00 0.00 C ATOM 0 H ALA A 258 -1.825 13.266 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 258 -1.421 10.923 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 258 -1.514 12.253 -7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 258 -2.700 12.821 -6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 258 -1.193 13.730 -6.759 1.00 0.00 H new ATOM 263 N GLU A 259 1.312 12.736 -5.796 1.00 0.00 N ATOM 264 CA GLU A 259 2.740 12.660 -6.077 1.00 0.00 C ATOM 265 C GLU A 259 3.434 11.832 -5.008 1.00 0.00 C ATOM 266 O GLU A 259 4.403 11.124 -5.282 1.00 0.00 O ATOM 267 CB GLU A 259 3.352 14.061 -6.146 1.00 0.00 C ATOM 268 CG GLU A 259 3.212 14.719 -7.510 1.00 0.00 C ATOM 269 CD GLU A 259 4.551 15.088 -8.120 1.00 0.00 C ATOM 270 OE1 GLU A 259 5.452 15.510 -7.365 1.00 0.00 O ATOM 271 OE2 GLU A 259 4.699 14.953 -9.354 1.00 0.00 O ATOM 0 H GLU A 259 0.998 13.637 -5.435 1.00 0.00 H new ATOM 0 HA GLU A 259 2.880 12.179 -7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 259 2.877 14.693 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 259 4.409 14.000 -5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 259 2.684 14.043 -8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 259 2.600 15.616 -7.415 1.00 0.00 H new ATOM 278 N GLN A 260 2.913 11.911 -3.790 1.00 0.00 N ATOM 279 CA GLN A 260 3.458 11.155 -2.673 1.00 0.00 C ATOM 280 C GLN A 260 3.012 9.702 -2.760 1.00 0.00 C ATOM 281 O GLN A 260 3.716 8.804 -2.309 1.00 0.00 O ATOM 282 CB GLN A 260 2.997 11.762 -1.344 1.00 0.00 C ATOM 283 CG GLN A 260 4.127 11.982 -0.351 1.00 0.00 C ATOM 284 CD GLN A 260 4.412 13.452 -0.107 1.00 0.00 C ATOM 285 OE1 GLN A 260 4.949 14.144 -0.973 1.00 0.00 O ATOM 286 NE2 GLN A 260 4.054 13.935 1.076 1.00 0.00 N ATOM 0 H GLN A 260 2.111 12.494 -3.552 1.00 0.00 H new ATOM 0 HA GLN A 260 4.546 11.198 -2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 260 2.506 12.715 -1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 260 2.251 11.106 -0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 260 3.873 11.503 0.595 1.00 0.00 H new ATOM 0 HG3 GLN A 260 5.030 11.497 -0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 260 3.612 13.325 1.763 1.00 0.00 H new ATOM 0 HE22 GLN A 260 4.221 14.916 1.298 1.00 0.00 H new ATOM 295 N ALA A 261 1.834 9.492 -3.348 1.00 0.00 N ATOM 296 CA ALA A 261 1.260 8.165 -3.514 1.00 0.00 C ATOM 297 C ALA A 261 2.044 7.355 -4.540 1.00 0.00 C ATOM 298 O ALA A 261 2.105 6.129 -4.458 1.00 0.00 O ATOM 299 CB ALA A 261 -0.202 8.278 -3.892 1.00 0.00 C ATOM 0 H ALA A 261 1.253 10.242 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 261 1.326 7.631 -2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 261 -0.624 7.281 -4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 261 -0.741 8.806 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 261 -0.294 8.828 -4.828 1.00 0.00 H new ATOM 305 N GLU A 262 2.673 8.046 -5.486 1.00 0.00 N ATOM 306 CA GLU A 262 3.489 7.381 -6.495 1.00 0.00 C ATOM 307 C GLU A 262 4.823 7.014 -5.873 1.00 0.00 C ATOM 308 O GLU A 262 5.207 5.845 -5.846 1.00 0.00 O ATOM 309 CB GLU A 262 3.692 8.290 -7.712 1.00 0.00 C ATOM 310 CG GLU A 262 3.205 7.680 -9.016 1.00 0.00 C ATOM 311 CD GLU A 262 4.330 7.436 -10.003 1.00 0.00 C ATOM 312 OE1 GLU A 262 4.960 8.422 -10.441 1.00 0.00 O ATOM 313 OE2 GLU A 262 4.582 6.259 -10.337 1.00 0.00 O ATOM 0 H GLU A 262 2.633 9.061 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 262 2.984 6.479 -6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 262 3.169 9.231 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 262 4.752 8.527 -7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 262 2.701 6.737 -8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 262 2.467 8.342 -9.469 1.00 0.00 H new ATOM 320 N THR A 263 5.504 8.013 -5.320 1.00 0.00 N ATOM 321 CA THR A 263 6.764 7.771 -4.639 1.00 0.00 C ATOM 322 C THR A 263 6.500 6.838 -3.467 1.00 0.00 C ATOM 323 O THR A 263 7.372 6.079 -3.043 1.00 0.00 O ATOM 324 CB THR A 263 7.373 9.085 -4.148 1.00 0.00 C ATOM 325 OG1 THR A 263 7.549 9.990 -5.222 1.00 0.00 O ATOM 326 CG2 THR A 263 8.715 8.906 -3.473 1.00 0.00 C ATOM 0 H THR A 263 5.205 8.988 -5.331 1.00 0.00 H new ATOM 0 HA THR A 263 7.475 7.315 -5.328 1.00 0.00 H new ATOM 0 HB THR A 263 6.665 9.475 -3.417 1.00 0.00 H new ATOM 0 HG1 THR A 263 7.938 10.824 -4.886 1.00 0.00 H new ATOM 0 HG21 THR A 263 9.091 9.876 -3.149 1.00 0.00 H new ATOM 0 HG22 THR A 263 8.603 8.253 -2.608 1.00 0.00 H new ATOM 0 HG23 THR A 263 9.419 8.460 -4.176 1.00 0.00 H new ATOM 334 N VAL A 264 5.261 6.887 -2.970 1.00 0.00 N ATOM 335 CA VAL A 264 4.833 6.038 -1.873 1.00 0.00 C ATOM 336 C VAL A 264 5.061 4.577 -2.237 1.00 0.00 C ATOM 337 O VAL A 264 5.565 3.789 -1.438 1.00 0.00 O ATOM 338 CB VAL A 264 3.327 6.250 -1.541 1.00 0.00 C ATOM 339 CG1 VAL A 264 2.512 4.999 -1.870 1.00 0.00 C ATOM 340 CG2 VAL A 264 3.165 6.655 -0.082 1.00 0.00 C ATOM 0 H VAL A 264 4.536 7.514 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 264 5.421 6.306 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 264 2.942 7.058 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 264 1.464 5.174 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 264 2.607 4.772 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 264 2.884 4.158 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 264 2.108 6.801 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 264 3.566 5.871 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 264 3.705 7.584 0.100 1.00 0.00 H new ATOM 350 N ARG A 265 4.668 4.233 -3.459 1.00 0.00 N ATOM 351 CA ARG A 265 4.802 2.877 -3.961 1.00 0.00 C ATOM 352 C ARG A 265 6.218 2.368 -3.754 1.00 0.00 C ATOM 353 O ARG A 265 6.429 1.298 -3.182 1.00 0.00 O ATOM 354 CB ARG A 265 4.432 2.826 -5.443 1.00 0.00 C ATOM 355 CG ARG A 265 3.744 1.528 -5.833 1.00 0.00 C ATOM 356 CD ARG A 265 4.238 1.011 -7.175 1.00 0.00 C ATOM 357 NE ARG A 265 5.541 0.358 -7.060 1.00 0.00 N ATOM 358 CZ ARG A 265 6.703 0.950 -7.339 1.00 0.00 C ATOM 359 NH1 ARG A 265 6.738 2.206 -7.768 1.00 0.00 N ATOM 360 NH2 ARG A 265 7.837 0.278 -7.190 1.00 0.00 N ATOM 0 H ARG A 265 4.250 4.885 -4.123 1.00 0.00 H new ATOM 0 HA ARG A 265 4.121 2.233 -3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 265 3.777 3.664 -5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 265 5.334 2.948 -6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 265 3.924 0.776 -5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 265 2.667 1.687 -5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 265 3.513 0.306 -7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 265 4.308 1.839 -7.880 1.00 0.00 H new ATOM 0 HE ARG A 265 5.563 -0.612 -6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 265 5.870 2.729 -7.887 1.00 0.00 H new ATOM 0 HH12 ARG A 265 7.633 2.648 -7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 265 7.818 -0.688 -6.863 1.00 0.00 H new ATOM 0 HH22 ARG A 265 8.728 0.727 -7.402 1.00 0.00 H new ATOM 374 N ALA A 266 7.186 3.149 -4.207 1.00 0.00 N ATOM 375 CA ALA A 266 8.582 2.784 -4.052 1.00 0.00 C ATOM 376 C ALA A 266 8.933 2.680 -2.577 1.00 0.00 C ATOM 377 O ALA A 266 9.816 1.921 -2.193 1.00 0.00 O ATOM 378 CB ALA A 266 9.476 3.799 -4.750 1.00 0.00 C ATOM 0 H ALA A 266 7.030 4.037 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 266 8.746 1.811 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 266 10.520 3.511 -4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 266 9.233 3.828 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 266 9.317 4.785 -4.314 1.00 0.00 H new ATOM 384 N GLN A 267 8.226 3.439 -1.750 1.00 0.00 N ATOM 385 CA GLN A 267 8.461 3.417 -0.315 1.00 0.00 C ATOM 386 C GLN A 267 7.751 2.231 0.339 1.00 0.00 C ATOM 387 O GLN A 267 8.027 1.895 1.490 1.00 0.00 O ATOM 388 CB GLN A 267 8.000 4.731 0.321 1.00 0.00 C ATOM 389 CG GLN A 267 8.779 5.946 -0.158 1.00 0.00 C ATOM 390 CD GLN A 267 10.204 5.966 0.359 1.00 0.00 C ATOM 391 OE1 GLN A 267 11.008 5.093 0.031 1.00 0.00 O ATOM 392 NE2 GLN A 267 10.525 6.965 1.173 1.00 0.00 N ATOM 0 H GLN A 267 7.487 4.076 -2.049 1.00 0.00 H new ATOM 0 HA GLN A 267 9.532 3.304 -0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 267 6.942 4.879 0.103 1.00 0.00 H new ATOM 0 HB3 GLN A 267 8.094 4.653 1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 267 8.792 5.958 -1.248 1.00 0.00 H new ATOM 0 HG3 GLN A 267 8.266 6.852 0.165 1.00 0.00 H new ATOM 0 HE21 GLN A 267 9.827 7.667 1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 267 11.470 7.030 1.553 1.00 0.00 H new ATOM 401 N LEU A 268 6.843 1.590 -0.401 1.00 0.00 N ATOM 402 CA LEU A 268 6.116 0.441 0.107 1.00 0.00 C ATOM 403 C LEU A 268 6.560 -0.816 -0.630 1.00 0.00 C ATOM 404 O LEU A 268 5.968 -1.879 -0.485 1.00 0.00 O ATOM 405 CB LEU A 268 4.597 0.714 0.014 1.00 0.00 C ATOM 406 CG LEU A 268 3.740 -0.343 -0.685 1.00 0.00 C ATOM 407 CD1 LEU A 268 3.054 -1.260 0.329 1.00 0.00 C ATOM 408 CD2 LEU A 268 2.703 0.323 -1.567 1.00 0.00 C ATOM 0 H LEU A 268 6.599 1.854 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 268 6.340 0.273 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 268 4.214 0.844 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 268 4.455 1.662 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 268 4.398 -0.953 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 268 2.452 -2.000 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 268 3.809 -1.767 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 268 2.411 -0.667 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 268 2.100 -0.440 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 268 2.060 0.957 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 268 3.203 0.932 -2.320 1.00 0.00 H new ATOM 420 N ALA A 269 7.652 -0.680 -1.374 1.00 0.00 N ATOM 421 CA ALA A 269 8.253 -1.787 -2.095 1.00 0.00 C ATOM 422 C ALA A 269 9.750 -1.765 -1.855 1.00 0.00 C ATOM 423 O ALA A 269 10.387 -2.810 -1.715 1.00 0.00 O ATOM 424 CB ALA A 269 7.929 -1.723 -3.580 1.00 0.00 C ATOM 0 H ALA A 269 8.144 0.206 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 269 7.840 -2.726 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 269 8.394 -2.566 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 269 6.849 -1.766 -3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 269 8.312 -0.791 -3.996 1.00 0.00 H new ATOM 430 N PHE A 270 10.298 -0.560 -1.756 1.00 0.00 N ATOM 431 CA PHE A 270 11.705 -0.392 -1.475 1.00 0.00 C ATOM 432 C PHE A 270 11.937 -0.554 0.020 1.00 0.00 C ATOM 433 O PHE A 270 13.036 -0.905 0.449 1.00 0.00 O ATOM 434 CB PHE A 270 12.197 0.980 -1.939 1.00 0.00 C ATOM 435 CG PHE A 270 13.692 1.097 -1.979 1.00 0.00 C ATOM 436 CD1 PHE A 270 14.425 1.144 -0.805 1.00 0.00 C ATOM 437 CD2 PHE A 270 14.364 1.160 -3.188 1.00 0.00 C ATOM 438 CE1 PHE A 270 15.802 1.252 -0.836 1.00 0.00 C ATOM 439 CE2 PHE A 270 15.741 1.268 -3.226 1.00 0.00 C ATOM 440 CZ PHE A 270 16.461 1.314 -2.049 1.00 0.00 C ATOM 0 H PHE A 270 9.782 0.313 -1.868 1.00 0.00 H new ATOM 0 HA PHE A 270 12.267 -1.150 -2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 270 11.798 1.183 -2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 270 11.798 1.745 -1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 270 13.914 1.096 0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 270 13.806 1.124 -4.112 1.00 0.00 H new ATOM 0 HE1 PHE A 270 16.363 1.288 0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 270 16.253 1.316 -4.175 1.00 0.00 H new ATOM 0 HZ PHE A 270 17.537 1.398 -2.076 1.00 0.00 H new ATOM 450 N GLU A 271 10.888 -0.318 0.822 1.00 0.00 N ATOM 451 CA GLU A 271 11.010 -0.469 2.261 1.00 0.00 C ATOM 452 C GLU A 271 11.247 -1.933 2.604 1.00 0.00 C ATOM 453 O GLU A 271 11.840 -2.253 3.635 1.00 0.00 O ATOM 454 CB GLU A 271 9.757 0.043 2.973 1.00 0.00 C ATOM 455 CG GLU A 271 9.928 1.420 3.598 1.00 0.00 C ATOM 456 CD GLU A 271 10.448 2.454 2.619 1.00 0.00 C ATOM 457 OE1 GLU A 271 10.551 2.136 1.416 1.00 0.00 O ATOM 458 OE2 GLU A 271 10.753 3.584 3.055 1.00 0.00 O ATOM 0 H GLU A 271 9.966 -0.027 0.497 1.00 0.00 H new ATOM 0 HA GLU A 271 11.858 0.125 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 271 8.933 0.077 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 271 9.476 -0.667 3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 271 8.970 1.754 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 271 10.615 1.348 4.441 1.00 0.00 H new ATOM 465 N GLY A 272 10.789 -2.823 1.723 1.00 0.00 N ATOM 466 CA GLY A 272 10.978 -4.243 1.951 1.00 0.00 C ATOM 467 C GLY A 272 9.708 -5.056 1.784 1.00 0.00 C ATOM 468 O GLY A 272 9.694 -6.246 2.096 1.00 0.00 O ATOM 0 H GLY A 272 10.295 -2.586 0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 272 11.733 -4.617 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 272 11.366 -4.393 2.958 1.00 0.00 H new ATOM 472 N PHE A 273 8.636 -4.433 1.294 1.00 0.00 N ATOM 473 CA PHE A 273 7.384 -5.151 1.104 1.00 0.00 C ATOM 474 C PHE A 273 6.825 -4.955 -0.299 1.00 0.00 C ATOM 475 O PHE A 273 6.537 -3.839 -0.704 1.00 0.00 O ATOM 476 CB PHE A 273 6.333 -4.723 2.134 1.00 0.00 C ATOM 477 CG PHE A 273 6.426 -3.295 2.627 1.00 0.00 C ATOM 478 CD1 PHE A 273 7.314 -2.951 3.639 1.00 0.00 C ATOM 479 CD2 PHE A 273 5.574 -2.311 2.133 1.00 0.00 C ATOM 480 CE1 PHE A 273 7.358 -1.654 4.134 1.00 0.00 C ATOM 481 CE2 PHE A 273 5.610 -1.029 2.641 1.00 0.00 C ATOM 482 CZ PHE A 273 6.499 -0.701 3.635 1.00 0.00 C ATOM 0 H PHE A 273 8.612 -3.449 1.026 1.00 0.00 H new ATOM 0 HA PHE A 273 7.610 -6.208 1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 273 5.345 -4.872 1.698 1.00 0.00 H new ATOM 0 HB3 PHE A 273 6.405 -5.388 2.994 1.00 0.00 H new ATOM 0 HD1 PHE A 273 7.977 -3.700 4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 273 4.878 -2.554 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 273 8.064 -1.394 4.908 1.00 0.00 H new ATOM 0 HE2 PHE A 273 4.935 -0.279 2.255 1.00 0.00 H new ATOM 0 HZ PHE A 273 6.524 0.306 4.026 1.00 0.00 H new ATOM 492 N ASP A 274 6.645 -6.052 -1.031 1.00 0.00 N ATOM 493 CA ASP A 274 6.090 -5.979 -2.382 1.00 0.00 C ATOM 494 C ASP A 274 4.848 -5.098 -2.388 1.00 0.00 C ATOM 495 O ASP A 274 4.273 -4.822 -1.337 1.00 0.00 O ATOM 496 CB ASP A 274 5.742 -7.378 -2.894 1.00 0.00 C ATOM 497 CG ASP A 274 6.041 -7.544 -4.371 1.00 0.00 C ATOM 498 OD1 ASP A 274 7.235 -7.587 -4.733 1.00 0.00 O ATOM 499 OD2 ASP A 274 5.081 -7.633 -5.165 1.00 0.00 O ATOM 0 H ASP A 274 6.873 -6.995 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 274 6.839 -5.543 -3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 274 6.304 -8.120 -2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 274 4.685 -7.575 -2.716 1.00 0.00 H new ATOM 504 N SER A 275 4.454 -4.644 -3.569 1.00 0.00 N ATOM 505 CA SER A 275 3.283 -3.779 -3.698 1.00 0.00 C ATOM 506 C SER A 275 3.013 -3.411 -5.152 1.00 0.00 C ATOM 507 O SER A 275 3.814 -3.686 -6.045 1.00 0.00 O ATOM 508 CB SER A 275 3.482 -2.502 -2.883 1.00 0.00 C ATOM 509 OG SER A 275 4.217 -1.535 -3.614 1.00 0.00 O ATOM 0 H SER A 275 4.923 -4.857 -4.449 1.00 0.00 H new ATOM 0 HA SER A 275 2.424 -4.332 -3.319 1.00 0.00 H new ATOM 0 HB2 SER A 275 2.512 -2.091 -2.605 1.00 0.00 H new ATOM 0 HB3 SER A 275 4.006 -2.737 -1.957 1.00 0.00 H new ATOM 0 HG SER A 275 3.607 -1.024 -4.186 1.00 0.00 H new ATOM 515 N LYS A 276 1.868 -2.780 -5.363 1.00 0.00 N ATOM 516 CA LYS A 276 1.440 -2.343 -6.691 1.00 0.00 C ATOM 517 C LYS A 276 0.765 -0.976 -6.613 1.00 0.00 C ATOM 518 O LYS A 276 0.307 -0.559 -5.550 1.00 0.00 O ATOM 519 CB LYS A 276 0.483 -3.367 -7.306 1.00 0.00 C ATOM 520 CG LYS A 276 0.855 -3.771 -8.724 1.00 0.00 C ATOM 521 CD LYS A 276 0.127 -5.036 -9.152 1.00 0.00 C ATOM 522 CE LYS A 276 0.901 -5.789 -10.222 1.00 0.00 C ATOM 523 NZ LYS A 276 0.334 -5.565 -11.581 1.00 0.00 N ATOM 0 H LYS A 276 1.206 -2.554 -4.620 1.00 0.00 H new ATOM 0 HA LYS A 276 2.322 -2.261 -7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 276 0.463 -4.257 -6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -0.526 -2.954 -7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 276 0.612 -2.960 -9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 276 1.931 -3.930 -8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -0.022 -5.682 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -0.862 -4.778 -9.531 1.00 0.00 H new ATOM 0 HE2 LYS A 276 1.943 -5.471 -10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 276 0.890 -6.855 -9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 0.890 -6.096 -12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -0.653 -5.892 -11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 0.368 -4.551 -11.809 1.00 0.00 H new ATOM 537 N ILE A 277 0.718 -0.278 -7.744 1.00 0.00 N ATOM 538 CA ILE A 277 0.109 1.050 -7.797 1.00 0.00 C ATOM 539 C ILE A 277 -1.012 1.130 -8.830 1.00 0.00 C ATOM 540 O ILE A 277 -1.067 0.340 -9.772 1.00 0.00 O ATOM 541 CB ILE A 277 1.156 2.134 -8.128 1.00 0.00 C ATOM 542 CG1 ILE A 277 0.563 3.528 -7.921 1.00 0.00 C ATOM 543 CG2 ILE A 277 1.665 1.974 -9.555 1.00 0.00 C ATOM 544 CD1 ILE A 277 1.596 4.577 -7.575 1.00 0.00 C ATOM 0 H ILE A 277 1.092 -0.607 -8.634 1.00 0.00 H new ATOM 0 HA ILE A 277 -0.309 1.228 -6.806 1.00 0.00 H new ATOM 0 HB ILE A 277 2.001 2.014 -7.451 1.00 0.00 H new ATOM 0 HG12 ILE A 277 0.040 3.830 -8.828 1.00 0.00 H new ATOM 0 HG13 ILE A 277 -0.180 3.484 -7.124 1.00 0.00 H new ATOM 0 HG21 ILE A 277 2.402 2.748 -9.767 1.00 0.00 H new ATOM 0 HG22 ILE A 277 2.126 0.993 -9.669 1.00 0.00 H new ATOM 0 HG23 ILE A 277 0.831 2.066 -10.251 1.00 0.00 H new ATOM 0 HD11 ILE A 277 1.105 5.541 -7.442 1.00 0.00 H new ATOM 0 HD12 ILE A 277 2.103 4.298 -6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 277 2.325 4.649 -8.382 1.00 0.00 H new ATOM 556 N THR A 278 -1.896 2.106 -8.643 1.00 0.00 N ATOM 557 CA THR A 278 -3.018 2.324 -9.553 1.00 0.00 C ATOM 558 C THR A 278 -3.682 3.671 -9.275 1.00 0.00 C ATOM 559 O THR A 278 -4.147 3.921 -8.170 1.00 0.00 O ATOM 560 CB THR A 278 -4.044 1.199 -9.412 1.00 0.00 C ATOM 561 OG1 THR A 278 -4.119 0.753 -8.070 1.00 0.00 O ATOM 562 CG2 THR A 278 -3.740 -0.003 -10.279 1.00 0.00 C ATOM 0 H THR A 278 -1.857 2.763 -7.864 1.00 0.00 H new ATOM 0 HA THR A 278 -2.634 2.327 -10.573 1.00 0.00 H new ATOM 0 HB THR A 278 -4.990 1.631 -9.738 1.00 0.00 H new ATOM 0 HG1 THR A 278 -4.782 0.035 -8.001 1.00 0.00 H new ATOM 0 HG21 THR A 278 -4.507 -0.763 -10.130 1.00 0.00 H new ATOM 0 HG22 THR A 278 -3.726 0.298 -11.327 1.00 0.00 H new ATOM 0 HG23 THR A 278 -2.767 -0.412 -10.006 1.00 0.00 H new ATOM 570 N THR A 279 -3.719 4.540 -10.280 1.00 0.00 N ATOM 571 CA THR A 279 -4.328 5.860 -10.122 1.00 0.00 C ATOM 572 C THR A 279 -5.850 5.775 -10.207 1.00 0.00 C ATOM 573 O THR A 279 -6.390 5.044 -11.038 1.00 0.00 O ATOM 574 CB THR A 279 -3.799 6.819 -11.190 1.00 0.00 C ATOM 575 OG1 THR A 279 -2.481 6.469 -11.570 1.00 0.00 O ATOM 576 CG2 THR A 279 -3.781 8.265 -10.743 1.00 0.00 C ATOM 0 H THR A 279 -3.337 4.358 -11.208 1.00 0.00 H new ATOM 0 HA THR A 279 -4.060 6.239 -9.136 1.00 0.00 H new ATOM 0 HB THR A 279 -4.489 6.725 -12.028 1.00 0.00 H new ATOM 0 HG1 THR A 279 -2.161 7.093 -12.255 1.00 0.00 H new ATOM 0 HG21 THR A 279 -3.395 8.890 -11.548 1.00 0.00 H new ATOM 0 HG22 THR A 279 -4.794 8.581 -10.492 1.00 0.00 H new ATOM 0 HG23 THR A 279 -3.142 8.367 -9.866 1.00 0.00 H new ATOM 584 N ASN A 280 -6.542 6.525 -9.346 1.00 0.00 N ATOM 585 CA ASN A 280 -8.003 6.523 -9.339 1.00 0.00 C ATOM 586 C ASN A 280 -8.542 7.323 -8.158 1.00 0.00 C ATOM 587 O ASN A 280 -7.871 7.471 -7.138 1.00 0.00 O ATOM 588 CB ASN A 280 -8.540 5.088 -9.286 1.00 0.00 C ATOM 589 CG ASN A 280 -9.095 4.629 -10.619 1.00 0.00 C ATOM 590 OD1 ASN A 280 -8.515 3.772 -11.286 1.00 0.00 O ATOM 591 ND2 ASN A 280 -10.228 5.200 -11.016 1.00 0.00 N ATOM 0 H ASN A 280 -6.116 7.137 -8.650 1.00 0.00 H new ATOM 0 HA ASN A 280 -8.343 6.993 -10.262 1.00 0.00 H new ATOM 0 HB2 ASN A 280 -7.740 4.415 -8.977 1.00 0.00 H new ATOM 0 HB3 ASN A 280 -9.321 5.023 -8.529 1.00 0.00 H new ATOM 0 HD21 ASN A 280 -10.650 4.932 -11.905 1.00 0.00 H new ATOM 0 HD22 ASN A 280 -10.675 5.906 -10.432 1.00 0.00 H new ATOM 598 N ASN A 281 -9.761 7.838 -8.306 1.00 0.00 N ATOM 599 CA ASN A 281 -10.395 8.626 -7.252 1.00 0.00 C ATOM 600 C ASN A 281 -9.704 9.977 -7.073 1.00 0.00 C ATOM 601 O ASN A 281 -10.002 10.714 -6.133 1.00 0.00 O ATOM 602 CB ASN A 281 -10.374 7.857 -5.930 1.00 0.00 C ATOM 603 CG ASN A 281 -11.455 8.319 -4.973 1.00 0.00 C ATOM 604 OD1 ASN A 281 -11.179 9.392 -4.242 1.00 0.00 O flip ATOM 605 ND2 ASN A 281 -12.526 7.718 -4.891 1.00 0.00 N flip ATOM 0 H ASN A 281 -10.329 7.724 -9.145 1.00 0.00 H new ATOM 0 HA ASN A 281 -11.428 8.807 -7.550 1.00 0.00 H new ATOM 0 HB2 ASN A 281 -10.501 6.793 -6.130 1.00 0.00 H new ATOM 0 HB3 ASN A 281 -9.399 7.979 -5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 281 -12.696 6.897 -5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 281 -13.244 8.041 -4.242 1.00 0.00 H new ATOM 612 N GLY A 282 -8.783 10.300 -7.976 1.00 0.00 N ATOM 613 CA GLY A 282 -8.074 11.562 -7.892 1.00 0.00 C ATOM 614 C GLY A 282 -6.679 11.412 -7.317 1.00 0.00 C ATOM 615 O GLY A 282 -5.824 12.275 -7.520 1.00 0.00 O ATOM 0 H GLY A 282 -8.516 9.710 -8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -8.007 12.003 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -8.645 12.254 -7.274 1.00 0.00 H new ATOM 619 N TRP A 283 -6.443 10.320 -6.594 1.00 0.00 N ATOM 620 CA TRP A 283 -5.151 10.070 -5.991 1.00 0.00 C ATOM 621 C TRP A 283 -4.584 8.735 -6.447 1.00 0.00 C ATOM 622 O TRP A 283 -5.275 7.926 -7.067 1.00 0.00 O ATOM 623 CB TRP A 283 -5.261 10.120 -4.470 1.00 0.00 C ATOM 624 CG TRP A 283 -6.525 9.537 -3.917 1.00 0.00 C ATOM 625 CD1 TRP A 283 -7.025 8.303 -4.170 1.00 0.00 C ATOM 626 CD2 TRP A 283 -7.437 10.161 -3.005 1.00 0.00 C ATOM 627 NE1 TRP A 283 -8.199 8.114 -3.481 1.00 0.00 N ATOM 628 CE2 TRP A 283 -8.474 9.243 -2.759 1.00 0.00 C ATOM 629 CE3 TRP A 283 -7.480 11.407 -2.375 1.00 0.00 C ATOM 630 CZ2 TRP A 283 -9.539 9.530 -1.911 1.00 0.00 C ATOM 631 CZ3 TRP A 283 -8.536 11.691 -1.532 1.00 0.00 C ATOM 632 CH2 TRP A 283 -9.554 10.757 -1.306 1.00 0.00 C ATOM 0 H TRP A 283 -7.138 9.595 -6.415 1.00 0.00 H new ATOM 0 HA TRP A 283 -4.464 10.851 -6.317 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -4.412 9.588 -4.040 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -5.183 11.158 -4.147 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -6.566 7.573 -4.820 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -8.772 7.270 -3.504 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -6.701 12.135 -2.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -10.325 8.810 -1.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -8.577 12.651 -1.038 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -10.367 11.010 -0.641 1.00 0.00 H new ATOM 643 N ASN A 284 -3.314 8.527 -6.146 1.00 0.00 N ATOM 644 CA ASN A 284 -2.617 7.304 -6.532 1.00 0.00 C ATOM 645 C ASN A 284 -2.938 6.158 -5.576 1.00 0.00 C ATOM 646 O ASN A 284 -2.498 6.154 -4.426 1.00 0.00 O ATOM 647 CB ASN A 284 -1.108 7.561 -6.575 1.00 0.00 C ATOM 648 CG ASN A 284 -0.582 7.691 -7.989 1.00 0.00 C ATOM 649 OD1 ASN A 284 -0.405 6.699 -8.694 1.00 0.00 O ATOM 650 ND2 ASN A 284 -0.332 8.927 -8.409 1.00 0.00 N ATOM 0 H ASN A 284 -2.737 9.193 -5.631 1.00 0.00 H new ATOM 0 HA ASN A 284 -2.959 7.011 -7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -0.882 8.472 -6.022 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -0.589 6.745 -6.071 1.00 0.00 H new ATOM 0 HD21 ASN A 284 0.022 9.083 -9.353 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -0.494 9.719 -7.788 1.00 0.00 H new ATOM 657 N ARG A 285 -3.709 5.186 -6.062 1.00 0.00 N ATOM 658 CA ARG A 285 -4.091 4.032 -5.253 1.00 0.00 C ATOM 659 C ARG A 285 -2.935 3.044 -5.123 1.00 0.00 C ATOM 660 O ARG A 285 -1.968 3.093 -5.882 1.00 0.00 O ATOM 661 CB ARG A 285 -5.315 3.330 -5.847 1.00 0.00 C ATOM 662 CG ARG A 285 -6.367 4.287 -6.387 1.00 0.00 C ATOM 663 CD ARG A 285 -7.750 3.658 -6.374 1.00 0.00 C ATOM 664 NE ARG A 285 -8.259 3.483 -5.016 1.00 0.00 N ATOM 665 CZ ARG A 285 -9.246 2.649 -4.695 1.00 0.00 C ATOM 666 NH1 ARG A 285 -9.831 1.912 -5.630 1.00 0.00 N ATOM 667 NH2 ARG A 285 -9.647 2.551 -3.435 1.00 0.00 N ATOM 0 H ARG A 285 -4.081 5.176 -7.012 1.00 0.00 H new ATOM 0 HA ARG A 285 -4.346 4.398 -4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 285 -4.990 2.670 -6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 285 -5.768 2.700 -5.082 1.00 0.00 H new ATOM 0 HG2 ARG A 285 -6.374 5.197 -5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 285 -6.108 4.578 -7.405 1.00 0.00 H new ATOM 0 HD2 ARG A 285 -8.438 4.284 -6.941 1.00 0.00 H new ATOM 0 HD3 ARG A 285 -7.713 2.691 -6.875 1.00 0.00 H new ATOM 0 HE ARG A 285 -7.833 4.032 -4.269 1.00 0.00 H new ATOM 0 HH11 ARG A 285 -9.525 1.983 -6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 285 -10.587 1.275 -5.378 1.00 0.00 H new ATOM 0 HH21 ARG A 285 -9.199 3.114 -2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 285 -10.403 1.912 -3.189 1.00 0.00 H new ATOM 681 N VAL A 286 -3.048 2.155 -4.146 1.00 0.00 N ATOM 682 CA VAL A 286 -2.022 1.145 -3.885 1.00 0.00 C ATOM 683 C VAL A 286 -2.657 -0.219 -3.641 1.00 0.00 C ATOM 684 O VAL A 286 -3.838 -0.324 -3.317 1.00 0.00 O ATOM 685 CB VAL A 286 -1.168 1.524 -2.649 1.00 0.00 C ATOM 686 CG1 VAL A 286 -0.173 0.437 -2.262 1.00 0.00 C ATOM 687 CG2 VAL A 286 -0.454 2.848 -2.873 1.00 0.00 C ATOM 0 H VAL A 286 -3.847 2.110 -3.513 1.00 0.00 H new ATOM 0 HA VAL A 286 -1.382 1.100 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 286 -1.859 1.630 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 286 0.397 0.759 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 286 -0.711 -0.481 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 286 0.508 0.255 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 286 0.140 3.095 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 286 0.200 2.766 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 286 -1.190 3.633 -3.046 1.00 0.00 H new ATOM 697 N VAL A 287 -1.840 -1.248 -3.781 1.00 0.00 N ATOM 698 CA VAL A 287 -2.258 -2.632 -3.570 1.00 0.00 C ATOM 699 C VAL A 287 -1.064 -3.559 -3.748 1.00 0.00 C ATOM 700 O VAL A 287 -0.262 -3.359 -4.653 1.00 0.00 O ATOM 701 CB VAL A 287 -3.348 -3.080 -4.565 1.00 0.00 C ATOM 702 CG1 VAL A 287 -4.733 -2.647 -4.108 1.00 0.00 C ATOM 703 CG2 VAL A 287 -3.051 -2.552 -5.961 1.00 0.00 C ATOM 0 H VAL A 287 -0.860 -1.151 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 287 -2.664 -2.685 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 287 -3.338 -4.169 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 287 -5.476 -2.980 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 287 -4.951 -3.090 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 287 -4.766 -1.561 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 287 -3.832 -2.879 -6.648 1.00 0.00 H new ATOM 0 HG22 VAL A 287 -3.020 -1.463 -5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 287 -2.088 -2.935 -6.298 1.00 0.00 H new ATOM 713 N ILE A 288 -0.961 -4.590 -2.920 1.00 0.00 N ATOM 714 CA ILE A 288 0.140 -5.543 -3.053 1.00 0.00 C ATOM 715 C ILE A 288 -0.407 -6.895 -3.442 1.00 0.00 C ATOM 716 O ILE A 288 -0.303 -7.868 -2.693 1.00 0.00 O ATOM 717 CB ILE A 288 0.979 -5.711 -1.769 1.00 0.00 C ATOM 718 CG1 ILE A 288 1.326 -4.367 -1.122 1.00 0.00 C ATOM 719 CG2 ILE A 288 2.236 -6.504 -2.079 1.00 0.00 C ATOM 720 CD1 ILE A 288 1.324 -4.428 0.386 1.00 0.00 C ATOM 0 H ILE A 288 -1.612 -4.789 -2.161 1.00 0.00 H new ATOM 0 HA ILE A 288 0.799 -5.136 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 288 0.376 -6.259 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 288 2.309 -4.045 -1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 288 0.610 -3.614 -1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 288 2.826 -6.621 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 288 1.961 -7.487 -2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 288 2.825 -5.975 -2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 288 1.577 -3.448 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 288 0.335 -4.721 0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 288 2.059 -5.159 0.722 1.00 0.00 H new ATOM 732 N GLY A 289 -1.006 -6.933 -4.619 1.00 0.00 N ATOM 733 CA GLY A 289 -1.604 -8.159 -5.120 1.00 0.00 C ATOM 734 C GLY A 289 -2.314 -8.928 -4.021 1.00 0.00 C ATOM 735 O GLY A 289 -2.634 -8.358 -2.976 1.00 0.00 O ATOM 0 H GLY A 289 -1.092 -6.132 -5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 289 -2.313 -7.920 -5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 289 -0.830 -8.787 -5.562 1.00 0.00 H new ATOM 739 N PRO A 290 -2.567 -10.226 -4.206 1.00 0.00 N ATOM 740 CA PRO A 290 -3.223 -11.036 -3.198 1.00 0.00 C ATOM 741 C PRO A 290 -2.199 -11.688 -2.272 1.00 0.00 C ATOM 742 O PRO A 290 -1.519 -12.640 -2.659 1.00 0.00 O ATOM 743 CB PRO A 290 -3.938 -12.082 -4.044 1.00 0.00 C ATOM 744 CG PRO A 290 -3.047 -12.285 -5.231 1.00 0.00 C ATOM 745 CD PRO A 290 -2.232 -11.017 -5.400 1.00 0.00 C ATOM 0 HA PRO A 290 -3.887 -10.472 -2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 290 -4.078 -13.011 -3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 290 -4.927 -11.738 -4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 290 -2.394 -13.145 -5.080 1.00 0.00 H new ATOM 0 HG3 PRO A 290 -3.637 -12.486 -6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 290 -1.164 -11.231 -5.452 1.00 0.00 H new ATOM 0 HD3 PRO A 290 -2.497 -10.490 -6.317 1.00 0.00 H new ATOM 753 N VAL A 291 -2.079 -11.164 -1.059 1.00 0.00 N ATOM 754 CA VAL A 291 -1.121 -11.690 -0.092 1.00 0.00 C ATOM 755 C VAL A 291 -1.783 -12.682 0.852 1.00 0.00 C ATOM 756 O VAL A 291 -2.989 -12.641 1.053 1.00 0.00 O ATOM 757 CB VAL A 291 -0.476 -10.558 0.735 1.00 0.00 C ATOM 758 CG1 VAL A 291 0.376 -9.660 -0.152 1.00 0.00 C ATOM 759 CG2 VAL A 291 -1.541 -9.745 1.458 1.00 0.00 C ATOM 0 H VAL A 291 -2.632 -10.376 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 291 -0.344 -12.200 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 291 0.173 -11.012 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 291 0.821 -8.869 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 291 1.166 -10.251 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -0.248 -9.217 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 291 -1.064 -8.952 2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 291 -2.220 -9.304 0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 291 -2.102 -10.395 2.129 1.00 0.00 H new ATOM 769 N LYS A 292 -0.991 -13.579 1.427 1.00 0.00 N ATOM 770 CA LYS A 292 -1.520 -14.580 2.348 1.00 0.00 C ATOM 771 C LYS A 292 -0.556 -14.828 3.500 1.00 0.00 C ATOM 772 O LYS A 292 0.640 -15.029 3.289 1.00 0.00 O ATOM 773 CB LYS A 292 -1.794 -15.891 1.607 1.00 0.00 C ATOM 774 CG LYS A 292 -2.700 -15.729 0.395 1.00 0.00 C ATOM 775 CD LYS A 292 -1.916 -15.804 -0.906 1.00 0.00 C ATOM 776 CE LYS A 292 -2.381 -16.963 -1.774 1.00 0.00 C ATOM 777 NZ LYS A 292 -1.791 -18.258 -1.334 1.00 0.00 N ATOM 0 H LYS A 292 0.016 -13.635 1.273 1.00 0.00 H new ATOM 0 HA LYS A 292 -2.455 -14.198 2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 292 -0.846 -16.322 1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 292 -2.249 -16.601 2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 292 -3.464 -16.506 0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 292 -3.218 -14.772 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 292 -2.030 -14.869 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 292 -0.854 -15.917 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 292 -3.468 -17.029 -1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 292 -2.106 -16.773 -2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 292 -2.133 -19.022 -1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 292 -0.754 -18.204 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 292 -2.074 -18.453 -0.352 1.00 0.00 H new ATOM 791 N GLY A 293 -1.082 -14.818 4.722 1.00 0.00 N ATOM 792 CA GLY A 293 -0.247 -15.049 5.883 1.00 0.00 C ATOM 793 C GLY A 293 -0.811 -14.438 7.152 1.00 0.00 C ATOM 794 O GLY A 293 -0.498 -14.891 8.253 1.00 0.00 O ATOM 0 H GLY A 293 -2.068 -14.655 4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 293 -0.124 -16.122 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 293 0.745 -14.637 5.698 1.00 0.00 H new ATOM 798 N LYS A 294 -1.638 -13.402 7.008 1.00 0.00 N ATOM 799 CA LYS A 294 -2.229 -12.735 8.164 1.00 0.00 C ATOM 800 C LYS A 294 -1.161 -12.028 8.998 1.00 0.00 C ATOM 801 O LYS A 294 -1.434 -11.562 10.104 1.00 0.00 O ATOM 802 CB LYS A 294 -2.973 -13.747 9.034 1.00 0.00 C ATOM 803 CG LYS A 294 -3.888 -13.111 10.067 1.00 0.00 C ATOM 804 CD LYS A 294 -3.780 -13.808 11.414 1.00 0.00 C ATOM 805 CE LYS A 294 -2.401 -13.625 12.026 1.00 0.00 C ATOM 806 NZ LYS A 294 -2.365 -14.047 13.452 1.00 0.00 N ATOM 0 H LYS A 294 -1.911 -13.010 6.107 1.00 0.00 H new ATOM 0 HA LYS A 294 -2.931 -11.987 7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -3.564 -14.400 8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -2.245 -14.377 9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -3.633 -12.057 10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -4.919 -13.154 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -4.536 -13.411 12.092 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -3.987 -14.871 11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -1.672 -14.203 11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -2.106 -12.578 11.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -1.407 -13.906 13.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -3.042 -13.478 14.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -2.621 -15.052 13.523 1.00 0.00 H new ATOM 820 N GLU A 295 0.055 -11.950 8.464 1.00 0.00 N ATOM 821 CA GLU A 295 1.156 -11.300 9.160 1.00 0.00 C ATOM 822 C GLU A 295 1.930 -10.387 8.218 1.00 0.00 C ATOM 823 O GLU A 295 2.233 -9.245 8.558 1.00 0.00 O ATOM 824 CB GLU A 295 2.096 -12.344 9.765 1.00 0.00 C ATOM 825 CG GLU A 295 2.916 -11.820 10.934 1.00 0.00 C ATOM 826 CD GLU A 295 4.409 -11.931 10.697 1.00 0.00 C ATOM 827 OE1 GLU A 295 4.831 -11.869 9.523 1.00 0.00 O ATOM 828 OE2 GLU A 295 5.158 -12.079 11.686 1.00 0.00 O ATOM 0 H GLU A 295 0.301 -12.330 7.550 1.00 0.00 H new ATOM 0 HA GLU A 295 0.736 -10.694 9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 295 1.509 -13.200 10.098 1.00 0.00 H new ATOM 0 HB3 GLU A 295 2.772 -12.704 8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 295 2.658 -10.777 11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 295 2.653 -12.375 11.835 1.00 0.00 H new ATOM 835 N ASN A 296 2.240 -10.891 7.028 1.00 0.00 N ATOM 836 CA ASN A 296 2.969 -10.105 6.040 1.00 0.00 C ATOM 837 C ASN A 296 2.167 -8.869 5.660 1.00 0.00 C ATOM 838 O ASN A 296 2.651 -7.743 5.766 1.00 0.00 O ATOM 839 CB ASN A 296 3.266 -10.946 4.797 1.00 0.00 C ATOM 840 CG ASN A 296 4.634 -10.654 4.213 1.00 0.00 C ATOM 841 OD1 ASN A 296 5.121 -9.526 4.277 1.00 0.00 O ATOM 842 ND2 ASN A 296 5.263 -11.674 3.639 1.00 0.00 N ATOM 0 H ASN A 296 1.999 -11.835 6.726 1.00 0.00 H new ATOM 0 HA ASN A 296 3.917 -9.790 6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 296 3.202 -12.003 5.054 1.00 0.00 H new ATOM 0 HB3 ASN A 296 2.504 -10.755 4.042 1.00 0.00 H new ATOM 0 HD21 ASN A 296 6.187 -11.538 3.229 1.00 0.00 H new ATOM 0 HD22 ASN A 296 4.822 -12.593 3.608 1.00 0.00 H new ATOM 849 N ALA A 297 0.927 -9.088 5.236 1.00 0.00 N ATOM 850 CA ALA A 297 0.044 -7.994 4.862 1.00 0.00 C ATOM 851 C ALA A 297 -0.188 -7.079 6.062 1.00 0.00 C ATOM 852 O ALA A 297 -0.226 -5.857 5.933 1.00 0.00 O ATOM 853 CB ALA A 297 -1.282 -8.542 4.352 1.00 0.00 C ATOM 0 H ALA A 297 0.512 -10.015 5.143 1.00 0.00 H new ATOM 0 HA ALA A 297 0.512 -7.417 4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 297 -1.935 -7.715 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 297 -1.104 -9.172 3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 297 -1.757 -9.133 5.135 1.00 0.00 H new ATOM 859 N ASP A 298 -0.342 -7.690 7.236 1.00 0.00 N ATOM 860 CA ASP A 298 -0.568 -6.941 8.464 1.00 0.00 C ATOM 861 C ASP A 298 0.657 -6.108 8.822 1.00 0.00 C ATOM 862 O ASP A 298 0.541 -4.929 9.158 1.00 0.00 O ATOM 863 CB ASP A 298 -0.910 -7.893 9.614 1.00 0.00 C ATOM 864 CG ASP A 298 -2.143 -7.455 10.379 1.00 0.00 C ATOM 865 OD1 ASP A 298 -3.180 -7.192 9.734 1.00 0.00 O ATOM 866 OD2 ASP A 298 -2.072 -7.373 11.623 1.00 0.00 O ATOM 0 H ASP A 298 -0.314 -8.702 7.359 1.00 0.00 H new ATOM 0 HA ASP A 298 -1.409 -6.267 8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 298 -1.069 -8.896 9.217 1.00 0.00 H new ATOM 0 HB3 ASP A 298 -0.063 -7.952 10.298 1.00 0.00 H new ATOM 871 N SER A 299 1.834 -6.722 8.737 1.00 0.00 N ATOM 872 CA SER A 299 3.074 -6.022 9.042 1.00 0.00 C ATOM 873 C SER A 299 3.304 -4.911 8.034 1.00 0.00 C ATOM 874 O SER A 299 3.728 -3.813 8.396 1.00 0.00 O ATOM 875 CB SER A 299 4.255 -6.993 9.039 1.00 0.00 C ATOM 876 OG SER A 299 4.185 -7.887 10.137 1.00 0.00 O ATOM 0 H SER A 299 1.953 -7.697 8.461 1.00 0.00 H new ATOM 0 HA SER A 299 2.992 -5.586 10.037 1.00 0.00 H new ATOM 0 HB2 SER A 299 4.263 -7.558 8.107 1.00 0.00 H new ATOM 0 HB3 SER A 299 5.190 -6.434 9.081 1.00 0.00 H new ATOM 0 HG SER A 299 3.529 -8.589 9.946 1.00 0.00 H new ATOM 882 N THR A 300 2.999 -5.190 6.769 1.00 0.00 N ATOM 883 CA THR A 300 3.154 -4.193 5.721 1.00 0.00 C ATOM 884 C THR A 300 2.324 -2.962 6.054 1.00 0.00 C ATOM 885 O THR A 300 2.805 -1.842 5.937 1.00 0.00 O ATOM 886 CB THR A 300 2.735 -4.762 4.371 1.00 0.00 C ATOM 887 OG1 THR A 300 3.360 -6.011 4.132 1.00 0.00 O ATOM 888 CG2 THR A 300 3.069 -3.851 3.207 1.00 0.00 C ATOM 0 H THR A 300 2.646 -6.092 6.450 1.00 0.00 H new ATOM 0 HA THR A 300 4.205 -3.910 5.661 1.00 0.00 H new ATOM 0 HB THR A 300 1.652 -4.870 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 300 2.810 -6.729 4.509 1.00 0.00 H new ATOM 0 HG21 THR A 300 2.744 -4.316 2.276 1.00 0.00 H new ATOM 0 HG22 THR A 300 2.558 -2.897 3.334 1.00 0.00 H new ATOM 0 HG23 THR A 300 4.146 -3.684 3.173 1.00 0.00 H new ATOM 896 N LEU A 301 1.084 -3.175 6.505 1.00 0.00 N ATOM 897 CA LEU A 301 0.207 -2.065 6.882 1.00 0.00 C ATOM 898 C LEU A 301 0.956 -1.106 7.793 1.00 0.00 C ATOM 899 O LEU A 301 1.083 0.082 7.496 1.00 0.00 O ATOM 900 CB LEU A 301 -1.047 -2.586 7.590 1.00 0.00 C ATOM 901 CG LEU A 301 -2.048 -1.508 8.008 1.00 0.00 C ATOM 902 CD1 LEU A 301 -2.757 -0.936 6.790 1.00 0.00 C ATOM 903 CD2 LEU A 301 -3.055 -2.074 8.997 1.00 0.00 C ATOM 0 H LEU A 301 0.668 -4.100 6.617 1.00 0.00 H new ATOM 0 HA LEU A 301 -0.100 -1.539 5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 301 -1.551 -3.293 6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 301 -0.741 -3.140 8.477 1.00 0.00 H new ATOM 0 HG LEU A 301 -1.502 -0.701 8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 301 -3.465 -0.171 7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 301 -2.023 -0.494 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 301 -3.291 -1.733 6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 301 -3.760 -1.294 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 301 -3.596 -2.899 8.534 1.00 0.00 H new ATOM 0 HD23 LEU A 301 -2.532 -2.435 9.883 1.00 0.00 H new ATOM 915 N ASN A 302 1.487 -1.642 8.884 1.00 0.00 N ATOM 916 CA ASN A 302 2.269 -0.845 9.814 1.00 0.00 C ATOM 917 C ASN A 302 3.537 -0.380 9.116 1.00 0.00 C ATOM 918 O ASN A 302 4.116 0.651 9.457 1.00 0.00 O ATOM 919 CB ASN A 302 2.615 -1.665 11.058 1.00 0.00 C ATOM 920 CG ASN A 302 1.522 -1.615 12.107 1.00 0.00 C ATOM 921 OD1 ASN A 302 0.571 -0.842 11.992 1.00 0.00 O ATOM 922 ND2 ASN A 302 1.652 -2.442 13.138 1.00 0.00 N ATOM 0 H ASN A 302 1.390 -2.623 9.145 1.00 0.00 H new ATOM 0 HA ASN A 302 1.688 0.021 10.132 1.00 0.00 H new ATOM 0 HB2 ASN A 302 2.790 -2.701 10.769 1.00 0.00 H new ATOM 0 HB3 ASN A 302 3.545 -1.292 11.488 1.00 0.00 H new ATOM 0 HD21 ASN A 302 0.947 -2.453 13.875 1.00 0.00 H new ATOM 0 HD22 ASN A 302 2.457 -3.066 13.193 1.00 0.00 H new ATOM 929 N ARG A 303 3.946 -1.155 8.116 1.00 0.00 N ATOM 930 CA ARG A 303 5.125 -0.848 7.333 1.00 0.00 C ATOM 931 C ARG A 303 4.840 0.312 6.379 1.00 0.00 C ATOM 932 O ARG A 303 5.715 1.139 6.132 1.00 0.00 O ATOM 933 CB ARG A 303 5.585 -2.089 6.577 1.00 0.00 C ATOM 934 CG ARG A 303 7.017 -2.493 6.889 1.00 0.00 C ATOM 935 CD ARG A 303 7.129 -3.136 8.263 1.00 0.00 C ATOM 936 NE ARG A 303 7.902 -4.376 8.228 1.00 0.00 N ATOM 937 CZ ARG A 303 9.233 -4.424 8.246 1.00 0.00 C ATOM 938 NH1 ARG A 303 9.945 -3.304 8.301 1.00 0.00 N ATOM 939 NH2 ARG A 303 9.853 -5.595 8.211 1.00 0.00 N ATOM 0 H ARG A 303 3.467 -2.009 7.831 1.00 0.00 H new ATOM 0 HA ARG A 303 5.930 -0.540 8.000 1.00 0.00 H new ATOM 0 HB2 ARG A 303 4.921 -2.919 6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 303 5.492 -1.908 5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 303 7.373 -3.190 6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 303 7.662 -1.615 6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 303 7.599 -2.436 8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 303 6.131 -3.342 8.649 1.00 0.00 H new ATOM 0 HE ARG A 303 7.391 -5.258 8.187 1.00 0.00 H new ATOM 0 HH11 ARG A 303 9.473 -2.400 8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 303 10.964 -3.348 8.315 1.00 0.00 H new ATOM 0 HH21 ARG A 303 9.311 -6.458 8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 303 10.872 -5.633 8.225 1.00 0.00 H new ATOM 953 N LEU A 304 3.601 0.409 5.877 1.00 0.00 N ATOM 954 CA LEU A 304 3.233 1.521 5.010 1.00 0.00 C ATOM 955 C LEU A 304 3.576 2.808 5.743 1.00 0.00 C ATOM 956 O LEU A 304 4.084 3.762 5.155 1.00 0.00 O ATOM 957 CB LEU A 304 1.740 1.452 4.654 1.00 0.00 C ATOM 958 CG LEU A 304 1.366 0.525 3.478 1.00 0.00 C ATOM 959 CD1 LEU A 304 1.421 1.261 2.140 1.00 0.00 C ATOM 960 CD2 LEU A 304 2.257 -0.706 3.434 1.00 0.00 C ATOM 0 H LEU A 304 2.853 -0.260 6.056 1.00 0.00 H new ATOM 0 HA LEU A 304 3.782 1.478 4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 304 1.191 1.125 5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 304 1.396 2.459 4.420 1.00 0.00 H new ATOM 0 HG LEU A 304 0.339 0.201 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 304 1.152 0.576 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 304 0.721 2.096 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 304 2.430 1.637 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 304 1.966 -1.336 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 304 3.296 -0.399 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 304 2.149 -1.267 4.363 1.00 0.00 H new ATOM 972 N LYS A 305 3.360 2.796 7.059 1.00 0.00 N ATOM 973 CA LYS A 305 3.705 3.934 7.893 1.00 0.00 C ATOM 974 C LYS A 305 5.192 4.240 7.716 1.00 0.00 C ATOM 975 O LYS A 305 5.607 5.398 7.697 1.00 0.00 O ATOM 976 CB LYS A 305 3.388 3.633 9.362 1.00 0.00 C ATOM 977 CG LYS A 305 2.423 4.625 9.993 1.00 0.00 C ATOM 978 CD LYS A 305 1.626 3.989 11.123 1.00 0.00 C ATOM 979 CE LYS A 305 0.131 4.033 10.846 1.00 0.00 C ATOM 980 NZ LYS A 305 -0.652 3.334 11.902 1.00 0.00 N ATOM 0 H LYS A 305 2.949 2.011 7.563 1.00 0.00 H new ATOM 0 HA LYS A 305 3.117 4.802 7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 305 2.965 2.631 9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 305 4.317 3.630 9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 305 2.979 5.481 10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 305 1.740 5.003 9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 305 1.942 2.954 11.255 1.00 0.00 H new ATOM 0 HD3 LYS A 305 1.839 4.509 12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 305 -0.195 5.071 10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 305 -0.072 3.573 9.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 -1.666 3.387 11.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 -0.360 2.337 11.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 -0.479 3.789 12.821 1.00 0.00 H new ATOM 994 N MET A 306 5.978 3.176 7.548 1.00 0.00 N ATOM 995 CA MET A 306 7.414 3.297 7.325 1.00 0.00 C ATOM 996 C MET A 306 7.667 4.066 6.034 1.00 0.00 C ATOM 997 O MET A 306 8.685 4.742 5.884 1.00 0.00 O ATOM 998 CB MET A 306 8.065 1.905 7.247 1.00 0.00 C ATOM 999 CG MET A 306 9.566 1.924 7.490 1.00 0.00 C ATOM 1000 SD MET A 306 9.984 1.985 9.243 1.00 0.00 S ATOM 1001 CE MET A 306 9.923 3.749 9.543 1.00 0.00 C ATOM 0 H MET A 306 5.638 2.214 7.563 1.00 0.00 H new ATOM 0 HA MET A 306 7.858 3.839 8.160 1.00 0.00 H new ATOM 0 HB2 MET A 306 7.594 1.251 7.981 1.00 0.00 H new ATOM 0 HB3 MET A 306 7.869 1.475 6.265 1.00 0.00 H new ATOM 0 HG2 MET A 306 10.014 1.036 7.044 1.00 0.00 H new ATOM 0 HG3 MET A 306 10.001 2.787 6.986 1.00 0.00 H new ATOM 0 HE1 MET A 306 10.752 4.037 10.189 1.00 0.00 H new ATOM 0 HE2 MET A 306 9.999 4.282 8.595 1.00 0.00 H new ATOM 0 HE3 MET A 306 8.980 4.003 10.028 1.00 0.00 H new ATOM 1011 N ALA A 307 6.719 3.958 5.107 1.00 0.00 N ATOM 1012 CA ALA A 307 6.807 4.639 3.824 1.00 0.00 C ATOM 1013 C ALA A 307 6.378 6.096 3.958 1.00 0.00 C ATOM 1014 O ALA A 307 7.183 7.009 3.781 1.00 0.00 O ATOM 1015 CB ALA A 307 5.948 3.919 2.797 1.00 0.00 C ATOM 0 H ALA A 307 5.874 3.399 5.225 1.00 0.00 H new ATOM 0 HA ALA A 307 7.844 4.623 3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 307 6.018 4.434 1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 307 6.299 2.893 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 307 4.910 3.913 3.130 1.00 0.00 H new ATOM 1021 N GLY A 308 5.104 6.308 4.285 1.00 0.00 N ATOM 1022 CA GLY A 308 4.601 7.659 4.449 1.00 0.00 C ATOM 1023 C GLY A 308 3.319 7.926 3.680 1.00 0.00 C ATOM 1024 O GLY A 308 3.237 8.896 2.927 1.00 0.00 O ATOM 0 H GLY A 308 4.416 5.571 4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 308 4.426 7.847 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 308 5.365 8.365 4.122 1.00 0.00 H new ATOM 1028 N HIS A 309 2.310 7.080 3.876 1.00 0.00 N ATOM 1029 CA HIS A 309 1.029 7.265 3.197 1.00 0.00 C ATOM 1030 C HIS A 309 -0.026 7.770 4.173 1.00 0.00 C ATOM 1031 O HIS A 309 -0.116 7.284 5.301 1.00 0.00 O ATOM 1032 CB HIS A 309 0.525 5.966 2.555 1.00 0.00 C ATOM 1033 CG HIS A 309 1.582 4.928 2.279 1.00 0.00 C ATOM 1034 ND1 HIS A 309 1.908 4.527 1.005 1.00 0.00 N ATOM 1035 CD2 HIS A 309 2.383 4.206 3.106 1.00 0.00 C ATOM 1036 CE1 HIS A 309 2.860 3.615 1.057 1.00 0.00 C ATOM 1037 NE2 HIS A 309 3.168 3.405 2.318 1.00 0.00 N ATOM 0 H HIS A 309 2.353 6.268 4.492 1.00 0.00 H new ATOM 0 HA HIS A 309 1.195 8.001 2.410 1.00 0.00 H new ATOM 0 HB2 HIS A 309 -0.229 5.527 3.208 1.00 0.00 H new ATOM 0 HB3 HIS A 309 0.029 6.213 1.616 1.00 0.00 H new ATOM 0 HD1 HIS A 309 1.479 4.881 0.150 1.00 0.00 H new ATOM 0 HD2 HIS A 309 2.398 4.254 4.185 1.00 0.00 H new ATOM 0 HE1 HIS A 309 3.310 3.124 0.207 1.00 0.00 H new ATOM 1046 N THR A 310 -0.830 8.743 3.745 1.00 0.00 N ATOM 1047 CA THR A 310 -1.871 9.281 4.615 1.00 0.00 C ATOM 1048 C THR A 310 -3.158 8.454 4.526 1.00 0.00 C ATOM 1049 O THR A 310 -4.234 8.995 4.269 1.00 0.00 O ATOM 1050 CB THR A 310 -2.156 10.745 4.271 1.00 0.00 C ATOM 1051 OG1 THR A 310 -3.162 11.271 5.120 1.00 0.00 O ATOM 1052 CG2 THR A 310 -2.609 10.952 2.843 1.00 0.00 C ATOM 0 H THR A 310 -0.782 9.167 2.819 1.00 0.00 H new ATOM 0 HA THR A 310 -1.506 9.225 5.641 1.00 0.00 H new ATOM 0 HB THR A 310 -1.207 11.262 4.410 1.00 0.00 H new ATOM 0 HG1 THR A 310 -3.998 10.778 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 310 -2.793 12.012 2.670 1.00 0.00 H new ATOM 0 HG22 THR A 310 -1.834 10.602 2.161 1.00 0.00 H new ATOM 0 HG23 THR A 310 -3.527 10.391 2.668 1.00 0.00 H new ATOM 1060 N ASN A 311 -3.045 7.140 4.752 1.00 0.00 N ATOM 1061 CA ASN A 311 -4.211 6.252 4.708 1.00 0.00 C ATOM 1062 C ASN A 311 -3.832 4.799 5.048 1.00 0.00 C ATOM 1063 O ASN A 311 -3.716 4.446 6.222 1.00 0.00 O ATOM 1064 CB ASN A 311 -4.886 6.330 3.332 1.00 0.00 C ATOM 1065 CG ASN A 311 -6.140 5.479 3.252 1.00 0.00 C ATOM 1066 OD1 ASN A 311 -6.151 4.325 3.678 1.00 0.00 O ATOM 1067 ND2 ASN A 311 -7.206 6.048 2.701 1.00 0.00 N ATOM 0 H ASN A 311 -2.165 6.671 4.966 1.00 0.00 H new ATOM 0 HA ASN A 311 -4.917 6.589 5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 311 -5.140 7.367 3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 311 -4.181 6.006 2.566 1.00 0.00 H new ATOM 0 HD21 ASN A 311 -8.078 5.525 2.618 1.00 0.00 H new ATOM 0 HD22 ASN A 311 -7.153 7.008 2.361 1.00 0.00 H new ATOM 1074 N CYS A 312 -3.647 3.959 4.023 1.00 0.00 N ATOM 1075 CA CYS A 312 -3.289 2.551 4.221 1.00 0.00 C ATOM 1076 C CYS A 312 -4.458 1.756 4.809 1.00 0.00 C ATOM 1077 O CYS A 312 -4.989 2.121 5.858 1.00 0.00 O ATOM 1078 CB CYS A 312 -2.062 2.410 5.133 1.00 0.00 C ATOM 1079 SG CYS A 312 -0.866 3.761 5.007 1.00 0.00 S ATOM 0 H CYS A 312 -3.740 4.232 3.045 1.00 0.00 H new ATOM 0 HA CYS A 312 -3.046 2.144 3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -2.401 2.338 6.166 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -1.557 1.473 4.898 1.00 0.00 H new ATOM 0 HG CYS A 312 0.125 3.540 5.819 1.00 0.00 H new ATOM 1085 N ILE A 313 -4.852 0.659 4.146 1.00 0.00 N ATOM 1086 CA ILE A 313 -5.944 -0.169 4.637 1.00 0.00 C ATOM 1087 C ILE A 313 -5.884 -1.557 4.020 1.00 0.00 C ATOM 1088 O ILE A 313 -6.052 -1.720 2.812 1.00 0.00 O ATOM 1089 CB ILE A 313 -7.322 0.451 4.337 1.00 0.00 C ATOM 1090 CG1 ILE A 313 -7.405 0.889 2.874 1.00 0.00 C ATOM 1091 CG2 ILE A 313 -7.590 1.627 5.264 1.00 0.00 C ATOM 1092 CD1 ILE A 313 -8.744 0.598 2.232 1.00 0.00 C ATOM 0 H ILE A 313 -4.430 0.333 3.276 1.00 0.00 H new ATOM 0 HA ILE A 313 -5.823 -0.236 5.718 1.00 0.00 H new ATOM 0 HB ILE A 313 -8.087 -0.306 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 313 -7.206 1.959 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 313 -6.622 0.385 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 313 -8.568 2.053 5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 313 -7.573 1.286 6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 313 -6.821 2.386 5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 313 -8.731 0.935 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 313 -8.937 -0.474 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 313 -9.530 1.124 2.775 1.00 0.00 H new ATOM 1104 N ARG A 314 -5.639 -2.557 4.856 1.00 0.00 N ATOM 1105 CA ARG A 314 -5.553 -3.932 4.387 1.00 0.00 C ATOM 1106 C ARG A 314 -6.903 -4.414 3.886 1.00 0.00 C ATOM 1107 O ARG A 314 -7.881 -4.463 4.634 1.00 0.00 O ATOM 1108 CB ARG A 314 -5.033 -4.853 5.501 1.00 0.00 C ATOM 1109 CG ARG A 314 -3.743 -5.579 5.145 1.00 0.00 C ATOM 1110 CD ARG A 314 -2.681 -4.647 4.566 1.00 0.00 C ATOM 1111 NE ARG A 314 -1.679 -5.388 3.825 1.00 0.00 N ATOM 1112 CZ ARG A 314 -0.508 -4.888 3.475 1.00 0.00 C ATOM 1113 NH1 ARG A 314 -0.175 -3.653 3.838 1.00 0.00 N ATOM 1114 NH2 ARG A 314 0.330 -5.622 2.762 1.00 0.00 N ATOM 0 H ARG A 314 -5.497 -2.442 5.859 1.00 0.00 H new ATOM 0 HA ARG A 314 -4.848 -3.964 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 314 -4.870 -4.262 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 314 -5.800 -5.590 5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 314 -3.347 -6.065 6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 314 -3.962 -6.366 4.424 1.00 0.00 H new ATOM 0 HD2 ARG A 314 -3.154 -3.915 3.911 1.00 0.00 H new ATOM 0 HD3 ARG A 314 -2.203 -4.091 5.372 1.00 0.00 H new ATOM 0 HE ARG A 314 -1.891 -6.350 3.559 1.00 0.00 H new ATOM 0 HH11 ARG A 314 -0.824 -3.090 4.388 1.00 0.00 H new ATOM 0 HH12 ARG A 314 0.730 -3.268 3.567 1.00 0.00 H new ATOM 0 HH21 ARG A 314 0.070 -6.569 2.485 1.00 0.00 H new ATOM 0 HH22 ARG A 314 1.236 -5.241 2.489 1.00 0.00 H new ATOM 1128 N LEU A 315 -6.939 -4.781 2.614 1.00 0.00 N ATOM 1129 CA LEU A 315 -8.153 -5.280 1.992 1.00 0.00 C ATOM 1130 C LEU A 315 -8.084 -6.794 1.874 1.00 0.00 C ATOM 1131 O LEU A 315 -7.257 -7.332 1.141 1.00 0.00 O ATOM 1132 CB LEU A 315 -8.358 -4.668 0.611 1.00 0.00 C ATOM 1133 CG LEU A 315 -9.629 -3.833 0.452 1.00 0.00 C ATOM 1134 CD1 LEU A 315 -9.499 -2.877 -0.725 1.00 0.00 C ATOM 1135 CD2 LEU A 315 -10.836 -4.742 0.275 1.00 0.00 C ATOM 0 H LEU A 315 -6.134 -4.741 1.989 1.00 0.00 H new ATOM 0 HA LEU A 315 -8.997 -4.996 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 315 -7.498 -4.040 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 315 -8.375 -5.471 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 315 -9.771 -3.240 1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 315 -10.414 -2.292 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 315 -8.656 -2.207 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 315 -9.335 -3.446 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 315 -11.735 -4.136 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 315 -10.700 -5.358 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 315 -10.939 -5.385 1.149 1.00 0.00 H new ATOM 1147 N ALA A 316 -8.939 -7.477 2.610 1.00 0.00 N ATOM 1148 CA ALA A 316 -8.951 -8.932 2.599 1.00 0.00 C ATOM 1149 C ALA A 316 -9.895 -9.486 1.540 1.00 0.00 C ATOM 1150 O ALA A 316 -10.951 -8.914 1.267 1.00 0.00 O ATOM 1151 CB ALA A 316 -9.312 -9.464 3.973 1.00 0.00 C ATOM 0 H ALA A 316 -9.634 -7.051 3.223 1.00 0.00 H new ATOM 0 HA ALA A 316 -7.947 -9.269 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 316 -9.318 -10.554 3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 316 -8.578 -9.119 4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 316 -10.301 -9.102 4.255 1.00 0.00 H new ATOM 1157 N ALA A 317 -9.497 -10.606 0.948 1.00 0.00 N ATOM 1158 CA ALA A 317 -10.289 -11.255 -0.086 1.00 0.00 C ATOM 1159 C ALA A 317 -11.421 -12.078 0.524 1.00 0.00 C ATOM 1160 O ALA A 317 -12.506 -12.180 -0.047 1.00 0.00 O ATOM 1161 CB ALA A 317 -9.393 -12.134 -0.946 1.00 0.00 C ATOM 0 H ALA A 317 -8.624 -11.085 1.170 1.00 0.00 H new ATOM 0 HA ALA A 317 -10.739 -10.484 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -9.991 -12.618 -1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -8.623 -11.521 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -8.922 -12.894 -0.322 1.00 0.00 H new