USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 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 290 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 362 ASN : amide:sc= -0.375 X(o=-0.38,f=-0.024) USER MOD Set 2.1: A 310 SER OG : rot -168:sc= 0.951 USER MOD Set 2.2: A 346 SER OG : rot 180:sc= -0.063 USER MOD Set 2.3: A 347 LYS NZ :NH3+ 151:sc= 0.474 (180deg=-0.999) USER MOD Single : A 289 HIS : no HE2:sc= -4.4 K(o=-4.4,f=-5.7!) USER MOD Single : A 292 HIS : no HE2:sc= -0.592 K(o=-0.59,f=-4.3!) USER MOD Single : A 293 MET CE :methyl -143:sc= -3.44 (180deg=-6.42!) USER MOD Single : A 298 TYR OH : rot 180:sc= 0 USER MOD Single : A 299 LYS NZ :NH3+ -169:sc= 0.78 (180deg=0.65) USER MOD Single : A 301 THR OG1 : rot 180:sc= 0.35 USER MOD Single : A 303 ASN : amide:sc= 1.17 K(o=1.2,f=-0.069) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.278 X(o=0.28,f=0) USER MOD Single : A 313 ASN : amide:sc= 0.508 K(o=0.51,f=0) USER MOD Single : A 318 HIS : no HE2:sc= -0.493 K(o=-0.49,f=-3.7!) USER MOD Single : A 328 THR OG1 : rot -40:sc= 0.476 USER MOD Single : A 337 THR OG1 : rot -40:sc= 1.26 USER MOD Single : A 338 HIS : no HD1:sc= -0.618 K(o=-0.62,f=-1.3) USER MOD Single : A 345 MET CE :methyl 137:sc= -3.18! (180deg=-7.95!) USER MOD Single : A 351 ASN : amide:sc= 0.513 K(o=0.51,f=-3.7) USER MOD Single : A 352 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 353 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.3) USER MOD Single : A 354 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 356 TYR OH : rot -163:sc= 0.92 USER MOD Single : A 363 SER OG : rot 180:sc= 0 USER MOD Single : A 364 THR OG1 : rot 180:sc= 0 USER MOD Single : A 365 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N HIS A 289 0.033 12.532 5.559 1.00 0.00 N ATOM 23 CA HIS A 289 0.838 11.694 4.657 1.00 0.00 C ATOM 24 C HIS A 289 0.066 10.805 3.674 1.00 0.00 C ATOM 25 O HIS A 289 -1.055 10.400 3.979 1.00 0.00 O ATOM 26 CB HIS A 289 1.745 10.776 5.493 1.00 0.00 C ATOM 27 CG HIS A 289 3.116 10.857 4.931 1.00 0.00 C ATOM 28 ND1 HIS A 289 3.916 11.968 4.965 1.00 0.00 N ATOM 29 CD2 HIS A 289 3.679 9.951 4.084 1.00 0.00 C ATOM 30 CE1 HIS A 289 4.962 11.725 4.168 1.00 0.00 C ATOM 31 NE2 HIS A 289 4.857 10.516 3.593 1.00 0.00 N ATOM 0 HA HIS A 289 1.384 12.413 4.046 1.00 0.00 H new ATOM 0 HB2 HIS A 289 1.742 11.085 6.538 1.00 0.00 H new ATOM 0 HB3 HIS A 289 1.380 9.749 5.463 1.00 0.00 H new ATOM 0 HD1 HIS A 289 3.746 12.821 5.498 1.00 0.00 H new ATOM 0 HD2 HIS A 289 3.286 8.975 3.838 1.00 0.00 H new ATOM 0 HE1 HIS A 289 5.782 12.410 4.008 1.00 0.00 H new ATOM 39 N CYS A 290 0.699 10.383 2.568 1.00 0.00 N ATOM 40 CA CYS A 290 0.255 9.184 1.839 1.00 0.00 C ATOM 41 C CYS A 290 1.365 8.403 1.117 1.00 0.00 C ATOM 42 O CYS A 290 2.440 8.934 0.833 1.00 0.00 O ATOM 43 CB CYS A 290 -0.899 9.533 0.881 1.00 0.00 C ATOM 44 SG CYS A 290 -0.360 10.572 -0.508 1.00 0.00 S ATOM 0 H CYS A 290 1.511 10.848 2.162 1.00 0.00 H new ATOM 0 HA CYS A 290 -0.099 8.497 2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.336 8.613 0.494 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.683 10.050 1.435 1.00 0.00 H new ATOM 0 HG CYS A 290 -1.376 10.828 -1.278 1.00 0.00 H new ATOM 50 N VAL A 291 1.089 7.138 0.771 1.00 0.00 N ATOM 51 CA VAL A 291 2.031 6.213 0.127 1.00 0.00 C ATOM 52 C VAL A 291 1.345 5.471 -1.003 1.00 0.00 C ATOM 53 O VAL A 291 0.293 4.859 -0.822 1.00 0.00 O ATOM 54 CB VAL A 291 2.614 5.197 1.116 1.00 0.00 C ATOM 55 CG1 VAL A 291 3.740 4.382 0.479 1.00 0.00 C ATOM 56 CG2 VAL A 291 3.256 5.933 2.277 1.00 0.00 C ATOM 0 H VAL A 291 0.175 6.717 0.937 1.00 0.00 H new ATOM 0 HA VAL A 291 2.852 6.815 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 291 1.794 4.550 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 291 4.131 3.671 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.354 3.841 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.539 5.052 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 291 3.671 5.211 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 291 4.053 6.576 1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 291 2.506 6.542 2.782 1.00 0.00 H new ATOM 66 N HIS A 292 1.974 5.551 -2.164 1.00 0.00 N ATOM 67 CA HIS A 292 1.509 5.029 -3.431 1.00 0.00 C ATOM 68 C HIS A 292 1.864 3.549 -3.598 1.00 0.00 C ATOM 69 O HIS A 292 2.899 3.089 -3.112 1.00 0.00 O ATOM 70 CB HIS A 292 2.148 5.909 -4.514 1.00 0.00 C ATOM 71 CG HIS A 292 1.723 5.563 -5.903 1.00 0.00 C ATOM 72 ND1 HIS A 292 0.440 5.285 -6.307 1.00 0.00 N ATOM 73 CD2 HIS A 292 2.548 5.399 -6.978 1.00 0.00 C ATOM 74 CE1 HIS A 292 0.497 4.898 -7.587 1.00 0.00 C ATOM 75 NE2 HIS A 292 1.758 4.980 -8.051 1.00 0.00 N ATOM 0 H HIS A 292 2.880 6.012 -2.248 1.00 0.00 H new ATOM 0 HA HIS A 292 0.422 5.065 -3.499 1.00 0.00 H new ATOM 0 HB2 HIS A 292 1.897 6.951 -4.317 1.00 0.00 H new ATOM 0 HB3 HIS A 292 3.232 5.824 -4.444 1.00 0.00 H new ATOM 0 HD1 HIS A 292 -0.402 5.360 -5.736 1.00 0.00 H new ATOM 0 HD2 HIS A 292 3.615 5.563 -6.996 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -0.351 4.566 -8.167 1.00 0.00 H new ATOM 83 N MET A 293 0.996 2.815 -4.296 1.00 0.00 N ATOM 84 CA MET A 293 1.125 1.389 -4.572 1.00 0.00 C ATOM 85 C MET A 293 0.625 1.085 -5.971 1.00 0.00 C ATOM 86 O MET A 293 -0.477 1.511 -6.328 1.00 0.00 O ATOM 87 CB MET A 293 0.261 0.541 -3.632 1.00 0.00 C ATOM 88 CG MET A 293 0.104 1.089 -2.224 1.00 0.00 C ATOM 89 SD MET A 293 -0.999 0.037 -1.268 1.00 0.00 S ATOM 90 CE MET A 293 0.081 -1.379 -0.962 1.00 0.00 C ATOM 0 H MET A 293 0.150 3.217 -4.700 1.00 0.00 H new ATOM 0 HA MET A 293 2.180 1.148 -4.443 1.00 0.00 H new ATOM 0 HB2 MET A 293 -0.729 0.432 -4.074 1.00 0.00 H new ATOM 0 HB3 MET A 293 0.694 -0.458 -3.569 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.078 1.145 -1.737 1.00 0.00 H new ATOM 0 HG3 MET A 293 -0.292 2.104 -2.263 1.00 0.00 H new ATOM 0 HE1 MET A 293 -0.503 -2.298 -1.005 1.00 0.00 H new ATOM 0 HE2 MET A 293 0.863 -1.411 -1.721 1.00 0.00 H new ATOM 0 HE3 MET A 293 0.536 -1.283 0.024 1.00 0.00 H new ATOM 100 N ARG A 294 1.360 0.268 -6.729 1.00 0.00 N ATOM 101 CA ARG A 294 0.830 -0.295 -7.980 1.00 0.00 C ATOM 102 C ARG A 294 1.219 -1.750 -8.213 1.00 0.00 C ATOM 103 O ARG A 294 2.355 -2.148 -7.955 1.00 0.00 O ATOM 104 CB ARG A 294 1.253 0.568 -9.173 1.00 0.00 C ATOM 105 CG ARG A 294 0.707 2.000 -9.128 1.00 0.00 C ATOM 106 CD ARG A 294 1.192 2.874 -10.297 1.00 0.00 C ATOM 107 NE ARG A 294 1.180 2.144 -11.577 1.00 0.00 N ATOM 108 CZ ARG A 294 2.208 1.516 -12.105 1.00 0.00 C ATOM 109 NH1 ARG A 294 3.437 1.830 -11.818 1.00 0.00 N ATOM 110 NH2 ARG A 294 1.975 0.513 -12.893 1.00 0.00 N ATOM 0 H ARG A 294 2.313 -0.018 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 294 -0.255 -0.285 -7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 294 2.342 0.606 -9.214 1.00 0.00 H new ATOM 0 HB3 ARG A 294 0.916 0.090 -10.093 1.00 0.00 H new ATOM 0 HG2 ARG A 294 -0.382 1.966 -9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 294 1.004 2.465 -8.188 1.00 0.00 H new ATOM 0 HD2 ARG A 294 0.557 3.756 -10.377 1.00 0.00 H new ATOM 0 HD3 ARG A 294 2.203 3.226 -10.091 1.00 0.00 H new ATOM 0 HE ARG A 294 0.302 2.124 -12.096 1.00 0.00 H new ATOM 0 HH11 ARG A 294 3.630 2.587 -11.162 1.00 0.00 H new ATOM 0 HH12 ARG A 294 4.208 1.319 -12.248 1.00 0.00 H new ATOM 0 HH21 ARG A 294 1.015 0.230 -13.089 1.00 0.00 H new ATOM 0 HH22 ARG A 294 2.752 0.007 -13.317 1.00 0.00 H new ATOM 124 N GLY A 295 0.257 -2.520 -8.718 1.00 0.00 N ATOM 125 CA GLY A 295 0.416 -3.918 -9.125 1.00 0.00 C ATOM 126 C GLY A 295 -0.277 -4.906 -8.184 1.00 0.00 C ATOM 127 O GLY A 295 0.035 -6.098 -8.228 1.00 0.00 O ATOM 0 H GLY A 295 -0.692 -2.175 -8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 295 0.016 -4.044 -10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 295 1.479 -4.157 -9.172 1.00 0.00 H new ATOM 131 N LEU A 296 -1.153 -4.423 -7.290 1.00 0.00 N ATOM 132 CA LEU A 296 -1.764 -5.226 -6.225 1.00 0.00 C ATOM 133 C LEU A 296 -2.511 -6.458 -6.774 1.00 0.00 C ATOM 134 O LEU A 296 -3.091 -6.395 -7.862 1.00 0.00 O ATOM 135 CB LEU A 296 -2.743 -4.390 -5.401 1.00 0.00 C ATOM 136 CG LEU A 296 -2.250 -3.118 -4.699 1.00 0.00 C ATOM 137 CD1 LEU A 296 -3.458 -2.492 -3.998 1.00 0.00 C ATOM 138 CD2 LEU A 296 -1.182 -3.403 -3.650 1.00 0.00 C ATOM 0 H LEU A 296 -1.460 -3.450 -7.288 1.00 0.00 H new ATOM 0 HA LEU A 296 -0.943 -5.568 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 296 -3.561 -4.102 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 296 -3.165 -5.042 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 296 -1.806 -2.460 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -3.149 -1.581 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 296 -4.223 -2.251 -4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 296 -3.864 -3.197 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 296 -0.870 -2.468 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 296 -1.588 -4.069 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 296 -0.323 -3.877 -4.125 1.00 0.00 H new ATOM 150 N PRO A 297 -2.564 -7.565 -6.017 1.00 0.00 N ATOM 151 CA PRO A 297 -3.226 -8.791 -6.457 1.00 0.00 C ATOM 152 C PRO A 297 -4.754 -8.659 -6.433 1.00 0.00 C ATOM 153 O PRO A 297 -5.325 -7.788 -5.775 1.00 0.00 O ATOM 154 CB PRO A 297 -2.749 -9.862 -5.468 1.00 0.00 C ATOM 155 CG PRO A 297 -2.585 -9.050 -4.187 1.00 0.00 C ATOM 156 CD PRO A 297 -1.997 -7.745 -4.689 1.00 0.00 C ATOM 0 HA PRO A 297 -2.977 -9.035 -7.490 1.00 0.00 H new ATOM 0 HB2 PRO A 297 -3.476 -10.666 -5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 297 -1.813 -10.322 -5.783 1.00 0.00 H new ATOM 0 HG2 PRO A 297 -3.538 -8.896 -3.681 1.00 0.00 H new ATOM 0 HG3 PRO A 297 -1.923 -9.545 -3.476 1.00 0.00 H new ATOM 0 HD2 PRO A 297 -2.258 -6.915 -4.032 1.00 0.00 H new ATOM 0 HD3 PRO A 297 -0.909 -7.791 -4.727 1.00 0.00 H new ATOM 164 N TYR A 298 -5.437 -9.607 -7.069 1.00 0.00 N ATOM 165 CA TYR A 298 -6.900 -9.747 -7.025 1.00 0.00 C ATOM 166 C TYR A 298 -7.484 -10.009 -5.623 1.00 0.00 C ATOM 167 O TYR A 298 -8.680 -9.798 -5.425 1.00 0.00 O ATOM 168 CB TYR A 298 -7.373 -10.789 -8.057 1.00 0.00 C ATOM 169 CG TYR A 298 -6.307 -11.787 -8.454 1.00 0.00 C ATOM 170 CD1 TYR A 298 -5.979 -12.844 -7.586 1.00 0.00 C ATOM 171 CD2 TYR A 298 -5.550 -11.555 -9.618 1.00 0.00 C ATOM 172 CE1 TYR A 298 -4.882 -13.677 -7.883 1.00 0.00 C ATOM 173 CE2 TYR A 298 -4.456 -12.389 -9.920 1.00 0.00 C ATOM 174 CZ TYR A 298 -4.118 -13.451 -9.050 1.00 0.00 C ATOM 175 OH TYR A 298 -3.046 -14.247 -9.318 1.00 0.00 O ATOM 0 H TYR A 298 -4.984 -10.318 -7.644 1.00 0.00 H new ATOM 0 HA TYR A 298 -7.302 -8.771 -7.298 1.00 0.00 H new ATOM 0 HB2 TYR A 298 -8.228 -11.328 -7.649 1.00 0.00 H new ATOM 0 HB3 TYR A 298 -7.721 -10.270 -8.950 1.00 0.00 H new ATOM 0 HD1 TYR A 298 -6.565 -13.016 -6.696 1.00 0.00 H new ATOM 0 HD2 TYR A 298 -5.807 -10.740 -10.278 1.00 0.00 H new ATOM 0 HE1 TYR A 298 -4.625 -14.489 -7.218 1.00 0.00 H new ATOM 0 HE2 TYR A 298 -3.876 -12.218 -10.815 1.00 0.00 H new ATOM 0 HH TYR A 298 -2.628 -13.962 -10.157 1.00 0.00 H new ATOM 185 N LYS A 299 -6.668 -10.392 -4.626 1.00 0.00 N ATOM 186 CA LYS A 299 -7.084 -10.469 -3.212 1.00 0.00 C ATOM 187 C LYS A 299 -6.824 -9.191 -2.392 1.00 0.00 C ATOM 188 O LYS A 299 -7.093 -9.195 -1.190 1.00 0.00 O ATOM 189 CB LYS A 299 -6.563 -11.766 -2.557 1.00 0.00 C ATOM 190 CG LYS A 299 -5.060 -12.049 -2.682 1.00 0.00 C ATOM 191 CD LYS A 299 -4.116 -11.104 -1.926 1.00 0.00 C ATOM 192 CE LYS A 299 -4.337 -11.084 -0.414 1.00 0.00 C ATOM 193 NZ LYS A 299 -3.236 -10.381 0.281 1.00 0.00 N ATOM 0 H LYS A 299 -5.695 -10.659 -4.778 1.00 0.00 H new ATOM 0 HA LYS A 299 -8.172 -10.526 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 299 -6.816 -11.737 -1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 299 -7.104 -12.607 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 299 -4.875 -13.065 -2.334 1.00 0.00 H new ATOM 0 HG3 LYS A 299 -4.795 -12.021 -3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 299 -3.086 -11.397 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 299 -4.242 -10.094 -2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 299 -5.284 -10.593 -0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 299 -4.411 -12.106 -0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 299 -3.313 -10.542 1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 299 -2.323 -10.744 -0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 299 -3.297 -9.361 0.086 1.00 0.00 H new ATOM 207 N ALA A 300 -6.307 -8.104 -2.985 1.00 0.00 N ATOM 208 CA ALA A 300 -6.097 -6.851 -2.285 1.00 0.00 C ATOM 209 C ALA A 300 -7.419 -6.229 -1.790 1.00 0.00 C ATOM 210 O ALA A 300 -8.446 -6.240 -2.472 1.00 0.00 O ATOM 211 CB ALA A 300 -5.339 -5.897 -3.199 1.00 0.00 C ATOM 0 H ALA A 300 -6.026 -8.081 -3.965 1.00 0.00 H new ATOM 0 HA ALA A 300 -5.505 -7.046 -1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.176 -4.951 -2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.377 -6.336 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.921 -5.721 -4.104 1.00 0.00 H new ATOM 217 N THR A 301 -7.334 -5.637 -0.606 1.00 0.00 N ATOM 218 CA THR A 301 -8.291 -4.779 0.105 1.00 0.00 C ATOM 219 C THR A 301 -7.495 -3.740 0.865 1.00 0.00 C ATOM 220 O THR A 301 -6.319 -3.948 1.123 1.00 0.00 O ATOM 221 CB THR A 301 -9.139 -5.515 1.156 1.00 0.00 C ATOM 222 OG1 THR A 301 -9.431 -6.854 0.811 1.00 0.00 O ATOM 223 CG2 THR A 301 -10.472 -4.829 1.329 1.00 0.00 C ATOM 0 H THR A 301 -6.490 -5.758 -0.047 1.00 0.00 H new ATOM 0 HA THR A 301 -8.965 -4.374 -0.650 1.00 0.00 H new ATOM 0 HB THR A 301 -8.537 -5.499 2.065 1.00 0.00 H new ATOM 0 HG1 THR A 301 -9.970 -7.264 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 301 -11.061 -5.361 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 301 -10.313 -3.802 1.657 1.00 0.00 H new ATOM 0 HG23 THR A 301 -11.007 -4.828 0.379 1.00 0.00 H new ATOM 231 N GLU A 302 -8.115 -2.646 1.283 1.00 0.00 N ATOM 232 CA GLU A 302 -7.422 -1.581 1.994 1.00 0.00 C ATOM 233 C GLU A 302 -6.717 -2.086 3.256 1.00 0.00 C ATOM 234 O GLU A 302 -5.545 -1.816 3.473 1.00 0.00 O ATOM 235 CB GLU A 302 -8.379 -0.457 2.344 1.00 0.00 C ATOM 236 CG GLU A 302 -9.800 -0.832 2.729 1.00 0.00 C ATOM 237 CD GLU A 302 -10.003 -1.482 4.098 1.00 0.00 C ATOM 238 OE1 GLU A 302 -9.958 -0.782 5.130 1.00 0.00 O ATOM 239 OE2 GLU A 302 -10.207 -2.721 4.125 1.00 0.00 O ATOM 0 H GLU A 302 -9.110 -2.472 1.140 1.00 0.00 H new ATOM 0 HA GLU A 302 -6.654 -1.200 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -7.946 0.107 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -8.430 0.218 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -10.410 0.070 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -10.187 -1.513 1.971 1.00 0.00 H new ATOM 246 N ASN A 303 -7.391 -2.883 4.078 1.00 0.00 N ATOM 247 CA ASN A 303 -6.778 -3.422 5.278 1.00 0.00 C ATOM 248 C ASN A 303 -5.754 -4.500 4.960 1.00 0.00 C ATOM 249 O ASN A 303 -4.693 -4.565 5.581 1.00 0.00 O ATOM 250 CB ASN A 303 -7.871 -3.867 6.246 1.00 0.00 C ATOM 251 CG ASN A 303 -8.494 -5.209 5.891 1.00 0.00 C ATOM 252 OD1 ASN A 303 -8.074 -6.260 6.353 1.00 0.00 O ATOM 253 ND2 ASN A 303 -9.489 -5.219 5.038 1.00 0.00 N ATOM 0 H ASN A 303 -8.360 -3.167 3.932 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.202 -2.642 5.776 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.452 -3.925 7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -8.653 -3.108 6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -9.913 -6.104 4.760 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -9.839 -4.342 4.653 1.00 0.00 H new ATOM 260 N ASP A 304 -6.033 -5.273 3.914 1.00 0.00 N ATOM 261 CA ASP A 304 -5.106 -6.248 3.375 1.00 0.00 C ATOM 262 C ASP A 304 -3.752 -5.608 3.025 1.00 0.00 C ATOM 263 O ASP A 304 -2.698 -6.133 3.384 1.00 0.00 O ATOM 264 CB ASP A 304 -5.732 -6.948 2.180 1.00 0.00 C ATOM 265 CG ASP A 304 -4.786 -8.020 1.646 1.00 0.00 C ATOM 266 OD1 ASP A 304 -4.635 -9.074 2.306 1.00 0.00 O ATOM 267 OD2 ASP A 304 -4.172 -7.804 0.575 1.00 0.00 O ATOM 0 H ASP A 304 -6.922 -5.235 3.415 1.00 0.00 H new ATOM 0 HA ASP A 304 -4.902 -6.997 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -6.681 -7.400 2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -5.951 -6.222 1.397 1.00 0.00 H new ATOM 272 N ILE A 305 -3.771 -4.423 2.410 1.00 0.00 N ATOM 273 CA ILE A 305 -2.547 -3.753 1.977 1.00 0.00 C ATOM 274 C ILE A 305 -1.781 -3.121 3.123 1.00 0.00 C ATOM 275 O ILE A 305 -0.592 -3.388 3.281 1.00 0.00 O ATOM 276 CB ILE A 305 -2.807 -2.730 0.864 1.00 0.00 C ATOM 277 CG1 ILE A 305 -3.889 -1.702 1.170 1.00 0.00 C ATOM 278 CG2 ILE A 305 -3.179 -3.543 -0.380 1.00 0.00 C ATOM 279 CD1 ILE A 305 -3.945 -0.511 0.242 1.00 0.00 C ATOM 0 H ILE A 305 -4.626 -3.907 2.201 1.00 0.00 H new ATOM 0 HA ILE A 305 -1.915 -4.540 1.566 1.00 0.00 H new ATOM 0 HB ILE A 305 -1.907 -2.129 0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 305 -4.857 -2.203 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -3.742 -1.340 2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -3.377 -2.866 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -2.355 -4.207 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -4.071 -4.135 -0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -4.750 0.155 0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.997 0.025 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -4.128 -0.852 -0.777 1.00 0.00 H new ATOM 291 N TYR A 306 -2.416 -2.316 3.970 1.00 0.00 N ATOM 292 CA TYR A 306 -1.630 -1.590 4.959 1.00 0.00 C ATOM 293 C TYR A 306 -1.122 -2.510 6.069 1.00 0.00 C ATOM 294 O TYR A 306 -0.091 -2.231 6.681 1.00 0.00 O ATOM 295 CB TYR A 306 -2.379 -0.372 5.448 1.00 0.00 C ATOM 296 CG TYR A 306 -3.410 -0.656 6.505 1.00 0.00 C ATOM 297 CD1 TYR A 306 -2.968 -0.914 7.814 1.00 0.00 C ATOM 298 CD2 TYR A 306 -4.780 -0.571 6.200 1.00 0.00 C ATOM 299 CE1 TYR A 306 -3.913 -1.080 8.845 1.00 0.00 C ATOM 300 CE2 TYR A 306 -5.727 -0.712 7.233 1.00 0.00 C ATOM 301 CZ TYR A 306 -5.295 -0.969 8.556 1.00 0.00 C ATOM 302 OH TYR A 306 -6.218 -1.119 9.545 1.00 0.00 O ATOM 0 H TYR A 306 -3.423 -2.155 3.994 1.00 0.00 H new ATOM 0 HA TYR A 306 -0.726 -1.212 4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -1.661 0.346 5.843 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -2.870 0.102 4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -1.912 -0.984 8.028 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.103 -0.399 5.184 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -3.585 -1.291 9.852 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -6.781 -0.624 7.016 1.00 0.00 H new ATOM 0 HH TYR A 306 -7.118 -1.011 9.172 1.00 0.00 H new ATOM 312 N ASN A 307 -1.815 -3.632 6.283 1.00 0.00 N ATOM 313 CA ASN A 307 -1.339 -4.681 7.184 1.00 0.00 C ATOM 314 C ASN A 307 -0.353 -5.656 6.519 1.00 0.00 C ATOM 315 O ASN A 307 0.342 -6.372 7.244 1.00 0.00 O ATOM 316 CB ASN A 307 -2.513 -5.376 7.890 1.00 0.00 C ATOM 317 CG ASN A 307 -2.831 -6.777 7.391 1.00 0.00 C ATOM 318 OD1 ASN A 307 -2.710 -7.765 8.103 1.00 0.00 O ATOM 319 ND2 ASN A 307 -3.214 -6.915 6.149 1.00 0.00 N ATOM 0 H ASN A 307 -2.712 -3.836 5.841 1.00 0.00 H new ATOM 0 HA ASN A 307 -0.748 -4.195 7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.295 -5.428 8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -3.403 -4.757 7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -3.411 -7.844 5.776 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -3.316 -6.094 5.553 1.00 0.00 H new ATOM 326 N PHE A 308 -0.235 -5.670 5.178 1.00 0.00 N ATOM 327 CA PHE A 308 0.956 -6.258 4.565 1.00 0.00 C ATOM 328 C PHE A 308 2.138 -5.341 4.839 1.00 0.00 C ATOM 329 O PHE A 308 3.144 -5.849 5.336 1.00 0.00 O ATOM 330 CB PHE A 308 0.842 -6.537 3.046 1.00 0.00 C ATOM 331 CG PHE A 308 1.747 -5.711 2.134 1.00 0.00 C ATOM 332 CD1 PHE A 308 3.144 -5.915 2.131 1.00 0.00 C ATOM 333 CD2 PHE A 308 1.216 -4.683 1.338 1.00 0.00 C ATOM 334 CE1 PHE A 308 3.976 -5.122 1.329 1.00 0.00 C ATOM 335 CE2 PHE A 308 2.042 -3.912 0.521 1.00 0.00 C ATOM 336 CZ PHE A 308 3.414 -4.132 0.524 1.00 0.00 C ATOM 0 H PHE A 308 -0.924 -5.295 4.526 1.00 0.00 H new ATOM 0 HA PHE A 308 1.088 -7.240 5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 308 1.056 -7.592 2.875 1.00 0.00 H new ATOM 0 HB3 PHE A 308 -0.192 -6.369 2.744 1.00 0.00 H new ATOM 0 HD1 PHE A 308 3.575 -6.687 2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 308 0.154 -4.487 1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 308 5.045 -5.277 1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 308 1.617 -3.147 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 308 4.053 -3.529 -0.105 1.00 0.00 H new ATOM 346 N PHE A 309 1.990 -4.042 4.487 1.00 0.00 N ATOM 347 CA PHE A 309 3.066 -3.065 4.310 1.00 0.00 C ATOM 348 C PHE A 309 4.080 -3.284 5.435 1.00 0.00 C ATOM 349 O PHE A 309 5.128 -3.898 5.248 1.00 0.00 O ATOM 350 CB PHE A 309 2.487 -1.636 4.364 1.00 0.00 C ATOM 351 CG PHE A 309 2.414 -0.802 3.102 1.00 0.00 C ATOM 352 CD1 PHE A 309 3.591 -0.200 2.631 1.00 0.00 C ATOM 353 CD2 PHE A 309 1.180 -0.423 2.547 1.00 0.00 C ATOM 354 CE1 PHE A 309 3.527 0.854 1.706 1.00 0.00 C ATOM 355 CE2 PHE A 309 1.113 0.630 1.624 1.00 0.00 C ATOM 356 CZ PHE A 309 2.281 1.288 1.223 1.00 0.00 C ATOM 0 H PHE A 309 1.070 -3.638 4.313 1.00 0.00 H new ATOM 0 HA PHE A 309 3.552 -3.191 3.342 1.00 0.00 H new ATOM 0 HB2 PHE A 309 1.475 -1.711 4.763 1.00 0.00 H new ATOM 0 HB3 PHE A 309 3.075 -1.075 5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 309 4.551 -0.549 2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.279 -0.945 2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 309 4.434 1.331 1.366 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.158 0.934 1.222 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.225 2.126 0.545 1.00 0.00 H new ATOM 366 N SER A 310 3.655 -2.917 6.637 1.00 0.00 N ATOM 367 CA SER A 310 4.323 -3.224 7.908 1.00 0.00 C ATOM 368 C SER A 310 3.301 -3.225 9.059 1.00 0.00 C ATOM 369 O SER A 310 2.102 -3.104 8.794 1.00 0.00 O ATOM 370 CB SER A 310 5.483 -2.239 8.168 1.00 0.00 C ATOM 371 OG SER A 310 5.719 -1.318 7.113 1.00 0.00 O ATOM 0 H SER A 310 2.801 -2.375 6.765 1.00 0.00 H new ATOM 0 HA SER A 310 4.756 -4.222 7.848 1.00 0.00 H new ATOM 0 HB2 SER A 310 5.272 -1.681 9.080 1.00 0.00 H new ATOM 0 HB3 SER A 310 6.395 -2.809 8.347 1.00 0.00 H new ATOM 0 HG SER A 310 6.577 -0.867 7.258 1.00 0.00 H new ATOM 377 N PRO A 311 3.720 -3.345 10.336 1.00 0.00 N ATOM 378 CA PRO A 311 2.884 -3.122 11.527 1.00 0.00 C ATOM 379 C PRO A 311 2.219 -1.722 11.690 1.00 0.00 C ATOM 380 O PRO A 311 2.046 -1.231 12.809 1.00 0.00 O ATOM 381 CB PRO A 311 3.794 -3.460 12.716 1.00 0.00 C ATOM 382 CG PRO A 311 4.792 -4.458 12.143 1.00 0.00 C ATOM 383 CD PRO A 311 5.007 -3.905 10.739 1.00 0.00 C ATOM 0 HA PRO A 311 2.001 -3.755 11.443 1.00 0.00 H new ATOM 0 HB2 PRO A 311 4.294 -2.571 13.101 1.00 0.00 H new ATOM 0 HB3 PRO A 311 3.228 -3.891 13.542 1.00 0.00 H new ATOM 0 HG2 PRO A 311 5.718 -4.488 12.718 1.00 0.00 H new ATOM 0 HG3 PRO A 311 4.394 -5.473 12.127 1.00 0.00 H new ATOM 0 HD2 PRO A 311 5.785 -3.142 10.733 1.00 0.00 H new ATOM 0 HD3 PRO A 311 5.325 -4.690 10.053 1.00 0.00 H new ATOM 391 N LEU A 312 1.904 -1.037 10.588 1.00 0.00 N ATOM 392 CA LEU A 312 1.490 0.367 10.496 1.00 0.00 C ATOM 393 C LEU A 312 0.004 0.596 10.795 1.00 0.00 C ATOM 394 O LEU A 312 -0.807 -0.332 10.804 1.00 0.00 O ATOM 395 CB LEU A 312 1.772 0.867 9.076 1.00 0.00 C ATOM 396 CG LEU A 312 3.153 0.547 8.494 1.00 0.00 C ATOM 397 CD1 LEU A 312 3.306 1.353 7.229 1.00 0.00 C ATOM 398 CD2 LEU A 312 4.350 0.909 9.358 1.00 0.00 C ATOM 0 H LEU A 312 1.933 -1.480 9.670 1.00 0.00 H new ATOM 0 HA LEU A 312 2.058 0.910 11.251 1.00 0.00 H new ATOM 0 HB2 LEU A 312 1.017 0.447 8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 312 1.640 1.949 9.064 1.00 0.00 H new ATOM 0 HG LEU A 312 3.166 -0.536 8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 312 4.281 1.151 6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 312 2.521 1.077 6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 312 3.227 2.415 7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 312 5.269 0.635 8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 312 4.348 1.982 9.551 1.00 0.00 H new ATOM 0 HD23 LEU A 312 4.292 0.370 10.304 1.00 0.00 H new ATOM 410 N ASN A 313 -0.362 1.867 10.949 1.00 0.00 N ATOM 411 CA ASN A 313 -1.715 2.393 11.148 1.00 0.00 C ATOM 412 C ASN A 313 -1.937 3.679 10.299 1.00 0.00 C ATOM 413 O ASN A 313 -1.759 4.803 10.782 1.00 0.00 O ATOM 414 CB ASN A 313 -1.986 2.624 12.648 1.00 0.00 C ATOM 415 CG ASN A 313 -2.670 1.472 13.374 1.00 0.00 C ATOM 416 OD1 ASN A 313 -3.434 1.673 14.309 1.00 0.00 O ATOM 417 ND2 ASN A 313 -2.450 0.237 12.987 1.00 0.00 N ATOM 0 H ASN A 313 0.332 2.615 10.937 1.00 0.00 H new ATOM 0 HA ASN A 313 -2.438 1.656 10.799 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -1.037 2.831 13.143 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -2.603 3.516 12.755 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -2.913 -0.537 13.464 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -1.816 0.051 12.210 1.00 0.00 H new ATOM 424 N PRO A 314 -2.344 3.529 9.024 1.00 0.00 N ATOM 425 CA PRO A 314 -2.962 4.551 8.216 1.00 0.00 C ATOM 426 C PRO A 314 -4.135 5.151 8.955 1.00 0.00 C ATOM 427 O PRO A 314 -4.999 4.480 9.528 1.00 0.00 O ATOM 428 CB PRO A 314 -3.426 3.939 6.899 1.00 0.00 C ATOM 429 CG PRO A 314 -2.886 2.532 6.913 1.00 0.00 C ATOM 430 CD PRO A 314 -2.526 2.276 8.379 1.00 0.00 C ATOM 0 HA PRO A 314 -2.239 5.341 8.010 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -4.513 3.944 6.823 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -3.044 4.500 6.046 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -3.628 1.818 6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -2.014 2.435 6.267 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -3.317 1.709 8.870 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -1.616 1.679 8.447 1.00 0.00 H new ATOM 438 N VAL A 315 -4.148 6.459 8.867 1.00 0.00 N ATOM 439 CA VAL A 315 -5.230 7.328 9.296 1.00 0.00 C ATOM 440 C VAL A 315 -6.307 7.424 8.211 1.00 0.00 C ATOM 441 O VAL A 315 -7.398 7.938 8.465 1.00 0.00 O ATOM 442 CB VAL A 315 -4.617 8.668 9.727 1.00 0.00 C ATOM 443 CG1 VAL A 315 -3.523 8.328 10.758 1.00 0.00 C ATOM 444 CG2 VAL A 315 -3.984 9.477 8.583 1.00 0.00 C ATOM 0 H VAL A 315 -3.364 6.979 8.474 1.00 0.00 H new ATOM 0 HA VAL A 315 -5.757 6.925 10.160 1.00 0.00 H new ATOM 0 HB VAL A 315 -5.416 9.296 10.121 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -3.049 9.247 11.102 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -3.971 7.811 11.607 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -2.774 7.685 10.295 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -3.576 10.408 8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -3.184 8.895 8.125 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -4.743 9.702 7.834 1.00 0.00 H new ATOM 454 N ARG A 316 -6.020 6.865 7.021 1.00 0.00 N ATOM 455 CA ARG A 316 -6.949 6.658 5.906 1.00 0.00 C ATOM 456 C ARG A 316 -6.417 5.610 4.899 1.00 0.00 C ATOM 457 O ARG A 316 -5.218 5.345 4.862 1.00 0.00 O ATOM 458 CB ARG A 316 -7.133 8.027 5.223 1.00 0.00 C ATOM 459 CG ARG A 316 -8.573 8.570 5.203 1.00 0.00 C ATOM 460 CD ARG A 316 -9.447 7.947 4.102 1.00 0.00 C ATOM 461 NE ARG A 316 -8.900 8.221 2.757 1.00 0.00 N ATOM 462 CZ ARG A 316 -9.491 8.090 1.588 1.00 0.00 C ATOM 463 NH1 ARG A 316 -10.713 7.657 1.455 1.00 0.00 N ATOM 464 NH2 ARG A 316 -8.820 8.413 0.526 1.00 0.00 N ATOM 0 H ARG A 316 -5.082 6.529 6.805 1.00 0.00 H new ATOM 0 HA ARG A 316 -7.898 6.268 6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -6.496 8.754 5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -6.778 7.951 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -9.036 8.385 6.172 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -8.544 9.651 5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -9.515 6.870 4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -10.460 8.344 4.172 1.00 0.00 H new ATOM 0 HE ARG A 316 -7.937 8.556 2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -11.256 7.402 2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -11.126 7.573 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -7.864 8.757 0.612 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -9.249 8.323 -0.395 1.00 0.00 H new ATOM 478 N VAL A 317 -7.259 5.077 4.008 1.00 0.00 N ATOM 479 CA VAL A 317 -6.830 4.269 2.838 1.00 0.00 C ATOM 480 C VAL A 317 -7.750 4.543 1.642 1.00 0.00 C ATOM 481 O VAL A 317 -8.939 4.812 1.825 1.00 0.00 O ATOM 482 CB VAL A 317 -6.850 2.737 3.107 1.00 0.00 C ATOM 483 CG1 VAL A 317 -5.937 1.977 2.126 1.00 0.00 C ATOM 484 CG2 VAL A 317 -6.450 2.266 4.508 1.00 0.00 C ATOM 0 H VAL A 317 -8.271 5.190 4.070 1.00 0.00 H new ATOM 0 HA VAL A 317 -5.802 4.568 2.632 1.00 0.00 H new ATOM 0 HB VAL A 317 -7.909 2.512 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -5.977 0.910 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -6.276 2.151 1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.912 2.332 2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.508 1.179 4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -5.430 2.585 4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.127 2.699 5.244 1.00 0.00 H new ATOM 494 N HIS A 318 -7.233 4.383 0.423 1.00 0.00 N ATOM 495 CA HIS A 318 -8.025 4.174 -0.793 1.00 0.00 C ATOM 496 C HIS A 318 -7.421 3.023 -1.617 1.00 0.00 C ATOM 497 O HIS A 318 -6.216 2.760 -1.556 1.00 0.00 O ATOM 498 CB HIS A 318 -8.178 5.496 -1.562 1.00 0.00 C ATOM 499 CG HIS A 318 -7.433 5.607 -2.862 1.00 0.00 C ATOM 500 ND1 HIS A 318 -7.946 5.414 -4.116 1.00 0.00 N ATOM 501 CD2 HIS A 318 -6.135 5.983 -3.018 1.00 0.00 C ATOM 502 CE1 HIS A 318 -6.984 5.679 -5.015 1.00 0.00 C ATOM 503 NE2 HIS A 318 -5.849 6.029 -4.389 1.00 0.00 N ATOM 0 H HIS A 318 -6.228 4.395 0.248 1.00 0.00 H new ATOM 0 HA HIS A 318 -9.039 3.864 -0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -9.238 5.653 -1.762 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -7.852 6.308 -0.912 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -8.898 5.119 -4.332 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -5.442 6.208 -2.220 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -7.106 5.619 -6.086 1.00 0.00 H new ATOM 511 N ILE A 319 -8.276 2.290 -2.334 1.00 0.00 N ATOM 512 CA ILE A 319 -8.047 0.887 -2.717 1.00 0.00 C ATOM 513 C ILE A 319 -8.695 0.560 -4.075 1.00 0.00 C ATOM 514 O ILE A 319 -9.618 -0.227 -4.267 1.00 0.00 O ATOM 515 CB ILE A 319 -8.494 -0.054 -1.587 1.00 0.00 C ATOM 516 CG1 ILE A 319 -8.248 -1.525 -1.936 1.00 0.00 C ATOM 517 CG2 ILE A 319 -9.959 0.184 -1.183 1.00 0.00 C ATOM 518 CD1 ILE A 319 -6.812 -1.855 -2.355 1.00 0.00 C ATOM 0 H ILE A 319 -9.165 2.658 -2.673 1.00 0.00 H new ATOM 0 HA ILE A 319 -6.978 0.729 -2.857 1.00 0.00 H new ATOM 0 HB ILE A 319 -7.875 0.185 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -8.509 -2.137 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -8.922 -1.810 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -10.232 -0.503 -0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -10.079 1.211 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -10.606 0.013 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -6.735 -2.918 -2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.548 -1.275 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -6.130 -1.607 -1.542 1.00 0.00 H new ATOM 530 N GLU A 320 -8.218 1.293 -5.050 1.00 0.00 N ATOM 531 CA GLU A 320 -8.902 1.513 -6.320 1.00 0.00 C ATOM 532 C GLU A 320 -8.365 0.653 -7.474 1.00 0.00 C ATOM 533 O GLU A 320 -7.158 0.592 -7.729 1.00 0.00 O ATOM 534 CB GLU A 320 -8.818 3.010 -6.627 1.00 0.00 C ATOM 535 CG GLU A 320 -10.173 3.722 -6.500 1.00 0.00 C ATOM 536 CD GLU A 320 -10.838 3.492 -5.127 1.00 0.00 C ATOM 537 OE1 GLU A 320 -10.258 3.913 -4.101 1.00 0.00 O ATOM 538 OE2 GLU A 320 -11.940 2.896 -5.076 1.00 0.00 O ATOM 0 H GLU A 320 -7.319 1.771 -4.990 1.00 0.00 H new ATOM 0 HA GLU A 320 -9.940 1.195 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -8.103 3.476 -5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -8.434 3.148 -7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -10.033 4.792 -6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -10.840 3.369 -7.286 1.00 0.00 H new ATOM 545 N ILE A 321 -9.303 -0.002 -8.173 1.00 0.00 N ATOM 546 CA ILE A 321 -9.134 -0.751 -9.428 1.00 0.00 C ATOM 547 C ILE A 321 -10.505 -1.115 -10.027 1.00 0.00 C ATOM 548 O ILE A 321 -11.532 -0.601 -9.584 1.00 0.00 O ATOM 549 CB ILE A 321 -8.206 -1.976 -9.210 1.00 0.00 C ATOM 550 CG1 ILE A 321 -7.298 -2.244 -10.419 1.00 0.00 C ATOM 551 CG2 ILE A 321 -8.906 -3.292 -8.907 1.00 0.00 C ATOM 552 CD1 ILE A 321 -6.211 -1.209 -10.655 1.00 0.00 C ATOM 0 H ILE A 321 -10.271 -0.024 -7.853 1.00 0.00 H new ATOM 0 HA ILE A 321 -8.637 -0.121 -10.165 1.00 0.00 H new ATOM 0 HB ILE A 321 -7.641 -1.673 -8.328 1.00 0.00 H new ATOM 0 HG12 ILE A 321 -6.827 -3.219 -10.290 1.00 0.00 H new ATOM 0 HG13 ILE A 321 -7.919 -2.305 -11.313 1.00 0.00 H new ATOM 0 HG21 ILE A 321 -8.162 -4.077 -8.773 1.00 0.00 H new ATOM 0 HG22 ILE A 321 -9.494 -3.190 -7.995 1.00 0.00 H new ATOM 0 HG23 ILE A 321 -9.564 -3.553 -9.736 1.00 0.00 H new ATOM 0 HD11 ILE A 321 -5.626 -1.489 -11.531 1.00 0.00 H new ATOM 0 HD12 ILE A 321 -6.668 -0.233 -10.821 1.00 0.00 H new ATOM 0 HD13 ILE A 321 -5.559 -1.161 -9.783 1.00 0.00 H new ATOM 564 N GLY A 322 -10.500 -2.017 -11.012 1.00 0.00 N ATOM 565 CA GLY A 322 -11.626 -2.578 -11.751 1.00 0.00 C ATOM 566 C GLY A 322 -12.989 -2.604 -11.027 1.00 0.00 C ATOM 567 O GLY A 322 -13.824 -1.727 -11.273 1.00 0.00 O ATOM 0 H GLY A 322 -9.618 -2.409 -11.342 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -11.743 -2.011 -12.675 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -11.372 -3.600 -12.034 1.00 0.00 H new ATOM 571 N PRO A 323 -13.232 -3.593 -10.144 1.00 0.00 N ATOM 572 CA PRO A 323 -14.477 -3.726 -9.383 1.00 0.00 C ATOM 573 C PRO A 323 -14.499 -2.881 -8.093 1.00 0.00 C ATOM 574 O PRO A 323 -15.416 -2.089 -7.871 1.00 0.00 O ATOM 575 CB PRO A 323 -14.556 -5.227 -9.058 1.00 0.00 C ATOM 576 CG PRO A 323 -13.103 -5.693 -9.020 1.00 0.00 C ATOM 577 CD PRO A 323 -12.415 -4.788 -10.026 1.00 0.00 C ATOM 0 HA PRO A 323 -15.328 -3.360 -9.957 1.00 0.00 H new ATOM 0 HB2 PRO A 323 -15.052 -5.400 -8.103 1.00 0.00 H new ATOM 0 HB3 PRO A 323 -15.125 -5.767 -9.815 1.00 0.00 H new ATOM 0 HG2 PRO A 323 -12.673 -5.586 -8.024 1.00 0.00 H new ATOM 0 HG3 PRO A 323 -13.011 -6.743 -9.296 1.00 0.00 H new ATOM 0 HD2 PRO A 323 -11.408 -4.536 -9.694 1.00 0.00 H new ATOM 0 HD3 PRO A 323 -12.317 -5.286 -10.991 1.00 0.00 H new ATOM 585 N ASP A 324 -13.503 -3.093 -7.224 1.00 0.00 N ATOM 586 CA ASP A 324 -13.499 -2.712 -5.798 1.00 0.00 C ATOM 587 C ASP A 324 -12.076 -2.781 -5.175 1.00 0.00 C ATOM 588 O ASP A 324 -11.919 -2.741 -3.955 1.00 0.00 O ATOM 589 CB ASP A 324 -14.483 -3.673 -5.088 1.00 0.00 C ATOM 590 CG ASP A 324 -14.743 -3.376 -3.602 1.00 0.00 C ATOM 591 OD1 ASP A 324 -15.142 -2.236 -3.263 1.00 0.00 O ATOM 592 OD2 ASP A 324 -14.613 -4.322 -2.786 1.00 0.00 O ATOM 0 H ASP A 324 -12.638 -3.555 -7.504 1.00 0.00 H new ATOM 0 HA ASP A 324 -13.810 -1.674 -5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 324 -15.435 -3.646 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 324 -14.098 -4.689 -5.175 1.00 0.00 H new ATOM 597 N GLY A 325 -11.037 -2.977 -6.006 1.00 0.00 N ATOM 598 CA GLY A 325 -9.635 -3.195 -5.590 1.00 0.00 C ATOM 599 C GLY A 325 -9.016 -4.534 -5.984 1.00 0.00 C ATOM 600 O GLY A 325 -7.961 -4.877 -5.460 1.00 0.00 O ATOM 0 H GLY A 325 -11.151 -2.989 -7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -9.024 -2.397 -6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -9.580 -3.098 -4.506 1.00 0.00 H new ATOM 604 N ARG A 326 -9.668 -5.324 -6.853 1.00 0.00 N ATOM 605 CA ARG A 326 -9.478 -6.780 -6.907 1.00 0.00 C ATOM 606 C ARG A 326 -9.011 -7.269 -8.291 1.00 0.00 C ATOM 607 O ARG A 326 -9.490 -8.292 -8.778 1.00 0.00 O ATOM 608 CB ARG A 326 -10.752 -7.510 -6.404 1.00 0.00 C ATOM 609 CG ARG A 326 -11.080 -7.391 -4.902 1.00 0.00 C ATOM 610 CD ARG A 326 -11.447 -5.975 -4.450 1.00 0.00 C ATOM 611 NE ARG A 326 -12.347 -5.932 -3.284 1.00 0.00 N ATOM 612 CZ ARG A 326 -12.122 -6.270 -2.031 1.00 0.00 C ATOM 613 NH1 ARG A 326 -11.009 -6.800 -1.622 1.00 0.00 N ATOM 614 NH2 ARG A 326 -13.056 -6.036 -1.160 1.00 0.00 N ATOM 0 H ARG A 326 -10.339 -4.971 -7.535 1.00 0.00 H new ATOM 0 HA ARG A 326 -8.663 -7.036 -6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -11.604 -7.131 -6.968 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -10.654 -8.568 -6.647 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -11.907 -8.061 -4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -10.220 -7.733 -4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 326 -10.532 -5.433 -4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 326 -11.920 -5.451 -5.280 1.00 0.00 H new ATOM 0 HE ARG A 326 -13.288 -5.588 -3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 326 -10.253 -6.974 -2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 326 -10.891 -7.042 -0.638 1.00 0.00 H new ATOM 0 HH21 ARG A 326 -13.931 -5.603 -1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 326 -12.915 -6.285 -0.181 1.00 0.00 H new ATOM 628 N VAL A 327 -8.085 -6.548 -8.947 1.00 0.00 N ATOM 629 CA VAL A 327 -7.528 -6.952 -10.263 1.00 0.00 C ATOM 630 C VAL A 327 -6.011 -6.824 -10.311 1.00 0.00 C ATOM 631 O VAL A 327 -5.284 -7.806 -10.443 1.00 0.00 O ATOM 632 CB VAL A 327 -8.202 -6.143 -11.394 1.00 0.00 C ATOM 633 CG1 VAL A 327 -7.599 -6.361 -12.781 1.00 0.00 C ATOM 634 CG2 VAL A 327 -9.688 -6.479 -11.452 1.00 0.00 C ATOM 0 H VAL A 327 -7.700 -5.674 -8.589 1.00 0.00 H new ATOM 0 HA VAL A 327 -7.750 -8.009 -10.411 1.00 0.00 H new ATOM 0 HB VAL A 327 -8.032 -5.096 -11.142 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -8.135 -5.754 -13.510 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -6.548 -6.072 -12.770 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -7.683 -7.413 -13.053 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -10.160 -5.906 -12.251 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -9.813 -7.544 -11.647 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -10.155 -6.227 -10.500 1.00 0.00 H new ATOM 644 N THR A 328 -5.569 -5.577 -10.216 1.00 0.00 N ATOM 645 CA THR A 328 -4.195 -5.126 -10.502 1.00 0.00 C ATOM 646 C THR A 328 -3.763 -3.914 -9.642 1.00 0.00 C ATOM 647 O THR A 328 -2.751 -3.279 -9.932 1.00 0.00 O ATOM 648 CB THR A 328 -4.058 -4.880 -12.022 1.00 0.00 C ATOM 649 OG1 THR A 328 -2.719 -4.635 -12.387 1.00 0.00 O ATOM 650 CG2 THR A 328 -4.929 -3.741 -12.574 1.00 0.00 C ATOM 0 H THR A 328 -6.177 -4.812 -9.926 1.00 0.00 H new ATOM 0 HA THR A 328 -3.498 -5.912 -10.213 1.00 0.00 H new ATOM 0 HB THR A 328 -4.419 -5.806 -12.469 1.00 0.00 H new ATOM 0 HG1 THR A 328 -2.292 -4.073 -11.707 1.00 0.00 H new ATOM 0 HG21 THR A 328 -4.765 -3.645 -13.647 1.00 0.00 H new ATOM 0 HG22 THR A 328 -5.980 -3.963 -12.386 1.00 0.00 H new ATOM 0 HG23 THR A 328 -4.662 -2.807 -12.081 1.00 0.00 H new ATOM 658 N GLY A 329 -4.574 -3.590 -8.621 1.00 0.00 N ATOM 659 CA GLY A 329 -4.652 -2.400 -7.756 1.00 0.00 C ATOM 660 C GLY A 329 -3.542 -1.352 -7.807 1.00 0.00 C ATOM 661 O GLY A 329 -2.348 -1.639 -7.720 1.00 0.00 O ATOM 0 H GLY A 329 -5.295 -4.256 -8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -5.589 -1.893 -7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -4.722 -2.750 -6.726 1.00 0.00 H new ATOM 665 N GLU A 330 -3.982 -0.101 -7.912 1.00 0.00 N ATOM 666 CA GLU A 330 -3.163 1.058 -8.267 1.00 0.00 C ATOM 667 C GLU A 330 -3.659 2.284 -7.479 1.00 0.00 C ATOM 668 O GLU A 330 -4.454 3.094 -7.965 1.00 0.00 O ATOM 669 CB GLU A 330 -3.213 1.238 -9.794 1.00 0.00 C ATOM 670 CG GLU A 330 -2.415 0.147 -10.517 1.00 0.00 C ATOM 671 CD GLU A 330 -2.121 0.494 -11.987 1.00 0.00 C ATOM 672 OE1 GLU A 330 -3.069 0.744 -12.770 1.00 0.00 O ATOM 673 OE2 GLU A 330 -0.925 0.520 -12.369 1.00 0.00 O ATOM 0 H GLU A 330 -4.958 0.145 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 330 -2.117 0.919 -7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 330 -4.250 1.214 -10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 330 -2.814 2.217 -10.059 1.00 0.00 H new ATOM 0 HG2 GLU A 330 -1.474 -0.015 -9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 330 -2.970 -0.790 -10.474 1.00 0.00 H new ATOM 680 N ALA A 331 -3.265 2.340 -6.203 1.00 0.00 N ATOM 681 CA ALA A 331 -3.968 3.034 -5.126 1.00 0.00 C ATOM 682 C ALA A 331 -3.009 3.643 -4.071 1.00 0.00 C ATOM 683 O ALA A 331 -1.788 3.561 -4.226 1.00 0.00 O ATOM 684 CB ALA A 331 -4.912 1.988 -4.531 1.00 0.00 C ATOM 0 H ALA A 331 -2.412 1.883 -5.882 1.00 0.00 H new ATOM 0 HA ALA A 331 -4.513 3.900 -5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -5.478 2.433 -3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -5.600 1.639 -5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -4.331 1.146 -4.155 1.00 0.00 H new ATOM 690 N ASP A 332 -3.532 4.254 -2.995 1.00 0.00 N ATOM 691 CA ASP A 332 -2.729 5.047 -2.045 1.00 0.00 C ATOM 692 C ASP A 332 -3.290 5.003 -0.620 1.00 0.00 C ATOM 693 O ASP A 332 -4.491 4.860 -0.390 1.00 0.00 O ATOM 694 CB ASP A 332 -2.618 6.529 -2.485 1.00 0.00 C ATOM 695 CG ASP A 332 -1.439 6.852 -3.408 1.00 0.00 C ATOM 696 OD1 ASP A 332 -1.510 6.546 -4.623 1.00 0.00 O ATOM 697 OD2 ASP A 332 -0.461 7.468 -2.919 1.00 0.00 O ATOM 0 H ASP A 332 -4.523 4.213 -2.758 1.00 0.00 H new ATOM 0 HA ASP A 332 -1.741 4.588 -2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -3.542 6.811 -2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -2.541 7.151 -1.593 1.00 0.00 H new ATOM 702 N VAL A 333 -2.395 5.153 0.355 1.00 0.00 N ATOM 703 CA VAL A 333 -2.689 4.889 1.766 1.00 0.00 C ATOM 704 C VAL A 333 -2.051 5.920 2.650 1.00 0.00 C ATOM 705 O VAL A 333 -0.937 6.359 2.409 1.00 0.00 O ATOM 706 CB VAL A 333 -2.271 3.463 2.178 1.00 0.00 C ATOM 707 CG1 VAL A 333 -2.221 2.468 1.026 1.00 0.00 C ATOM 708 CG2 VAL A 333 -0.956 3.275 2.919 1.00 0.00 C ATOM 0 H VAL A 333 -1.438 5.463 0.189 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.769 4.958 1.894 1.00 0.00 H new ATOM 0 HB VAL A 333 -3.086 3.271 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.919 1.491 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -3.207 2.391 0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.501 2.809 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.809 2.217 3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.135 3.636 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -0.981 3.837 3.853 1.00 0.00 H new ATOM 718 N GLU A 334 -2.778 6.350 3.662 1.00 0.00 N ATOM 719 CA GLU A 334 -2.608 7.682 4.209 1.00 0.00 C ATOM 720 C GLU A 334 -2.242 7.587 5.677 1.00 0.00 C ATOM 721 O GLU A 334 -3.025 7.079 6.473 1.00 0.00 O ATOM 722 CB GLU A 334 -3.917 8.430 4.029 1.00 0.00 C ATOM 723 CG GLU A 334 -4.124 9.007 2.627 1.00 0.00 C ATOM 724 CD GLU A 334 -5.576 9.449 2.400 1.00 0.00 C ATOM 725 OE1 GLU A 334 -6.012 10.450 3.012 1.00 0.00 O ATOM 726 OE2 GLU A 334 -6.305 8.785 1.627 1.00 0.00 O ATOM 0 H GLU A 334 -3.496 5.793 4.125 1.00 0.00 H new ATOM 0 HA GLU A 334 -1.806 8.213 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -4.742 7.755 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -3.960 9.243 4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -3.458 9.858 2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -3.851 8.259 1.882 1.00 0.00 H new ATOM 733 N PHE A 335 -1.047 8.035 6.039 1.00 0.00 N ATOM 734 CA PHE A 335 -0.363 7.573 7.246 1.00 0.00 C ATOM 735 C PHE A 335 -0.098 8.684 8.273 1.00 0.00 C ATOM 736 O PHE A 335 -0.273 9.866 7.991 1.00 0.00 O ATOM 737 CB PHE A 335 0.972 6.945 6.826 1.00 0.00 C ATOM 738 CG PHE A 335 0.936 5.492 6.405 1.00 0.00 C ATOM 739 CD1 PHE A 335 0.379 4.498 7.229 1.00 0.00 C ATOM 740 CD2 PHE A 335 1.589 5.112 5.229 1.00 0.00 C ATOM 741 CE1 PHE A 335 0.394 3.159 6.818 1.00 0.00 C ATOM 742 CE2 PHE A 335 1.593 3.774 4.803 1.00 0.00 C ATOM 743 CZ PHE A 335 0.943 2.801 5.580 1.00 0.00 C ATOM 0 H PHE A 335 -0.522 8.729 5.506 1.00 0.00 H new ATOM 0 HA PHE A 335 -1.019 6.854 7.737 1.00 0.00 H new ATOM 0 HB2 PHE A 335 1.378 7.529 6.000 1.00 0.00 H new ATOM 0 HB3 PHE A 335 1.670 7.041 7.658 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -0.060 4.767 8.178 1.00 0.00 H new ATOM 0 HD2 PHE A 335 2.098 5.859 4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -0.021 2.397 7.461 1.00 0.00 H new ATOM 0 HE2 PHE A 335 2.091 3.496 3.886 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.867 1.784 5.225 1.00 0.00 H new ATOM 753 N ALA A 336 0.426 8.299 9.442 1.00 0.00 N ATOM 754 CA ALA A 336 1.037 9.189 10.415 1.00 0.00 C ATOM 755 C ALA A 336 2.532 9.422 10.134 1.00 0.00 C ATOM 756 O ALA A 336 3.423 9.068 10.912 1.00 0.00 O ATOM 757 CB ALA A 336 0.868 8.623 11.809 1.00 0.00 C ATOM 0 H ALA A 336 0.433 7.323 9.740 1.00 0.00 H new ATOM 0 HA ALA A 336 0.531 10.151 10.336 1.00 0.00 H new ATOM 0 HB1 ALA A 336 1.328 9.295 12.533 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -0.194 8.520 12.034 1.00 0.00 H new ATOM 0 HB3 ALA A 336 1.347 7.646 11.865 1.00 0.00 H new ATOM 763 N THR A 337 2.819 9.963 8.966 1.00 0.00 N ATOM 764 CA THR A 337 3.889 10.903 8.632 1.00 0.00 C ATOM 765 C THR A 337 4.858 10.263 7.670 1.00 0.00 C ATOM 766 O THR A 337 4.740 9.067 7.386 1.00 0.00 O ATOM 767 CB THR A 337 4.593 11.548 9.836 1.00 0.00 C ATOM 768 OG1 THR A 337 5.370 10.680 10.616 1.00 0.00 O ATOM 769 CG2 THR A 337 3.651 12.410 10.670 1.00 0.00 C ATOM 0 H THR A 337 2.259 9.738 8.144 1.00 0.00 H new ATOM 0 HA THR A 337 3.406 11.749 8.143 1.00 0.00 H new ATOM 0 HB THR A 337 5.328 12.215 9.386 1.00 0.00 H new ATOM 0 HG1 THR A 337 4.904 9.824 10.716 1.00 0.00 H new ATOM 0 HG21 THR A 337 4.199 12.842 11.508 1.00 0.00 H new ATOM 0 HG22 THR A 337 3.245 13.210 10.051 1.00 0.00 H new ATOM 0 HG23 THR A 337 2.835 11.795 11.049 1.00 0.00 H new ATOM 777 N HIS A 338 5.835 11.032 7.178 1.00 0.00 N ATOM 778 CA HIS A 338 6.900 10.441 6.378 1.00 0.00 C ATOM 779 C HIS A 338 7.542 9.272 7.117 1.00 0.00 C ATOM 780 O HIS A 338 7.824 8.271 6.506 1.00 0.00 O ATOM 781 CB HIS A 338 7.924 11.491 5.925 1.00 0.00 C ATOM 782 CG HIS A 338 8.898 12.000 6.966 1.00 0.00 C ATOM 783 ND1 HIS A 338 8.618 12.475 8.230 1.00 0.00 N ATOM 784 CD2 HIS A 338 10.249 12.131 6.787 1.00 0.00 C ATOM 785 CE1 HIS A 338 9.771 12.882 8.792 1.00 0.00 C ATOM 786 NE2 HIS A 338 10.797 12.693 7.948 1.00 0.00 N ATOM 0 H HIS A 338 5.907 12.040 7.317 1.00 0.00 H new ATOM 0 HA HIS A 338 6.458 10.042 5.465 1.00 0.00 H new ATOM 0 HB2 HIS A 338 8.500 11.068 5.101 1.00 0.00 H new ATOM 0 HB3 HIS A 338 7.378 12.346 5.526 1.00 0.00 H new ATOM 0 HD2 HIS A 338 10.799 11.849 5.901 1.00 0.00 H new ATOM 0 HE1 HIS A 338 9.858 13.302 9.783 1.00 0.00 H new ATOM 0 HE2 HIS A 338 11.778 12.914 8.117 1.00 0.00 H new ATOM 794 N GLU A 339 7.648 9.329 8.436 1.00 0.00 N ATOM 795 CA GLU A 339 8.137 8.292 9.328 1.00 0.00 C ATOM 796 C GLU A 339 7.229 7.049 9.458 1.00 0.00 C ATOM 797 O GLU A 339 7.760 5.936 9.490 1.00 0.00 O ATOM 798 CB GLU A 339 8.473 8.954 10.668 1.00 0.00 C ATOM 799 CG GLU A 339 9.855 9.614 10.540 1.00 0.00 C ATOM 800 CD GLU A 339 10.275 10.306 11.847 1.00 0.00 C ATOM 801 OE1 GLU A 339 9.922 11.492 12.051 1.00 0.00 O ATOM 802 OE2 GLU A 339 10.975 9.672 12.676 1.00 0.00 O ATOM 0 H GLU A 339 7.373 10.167 8.949 1.00 0.00 H new ATOM 0 HA GLU A 339 9.035 7.857 8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 339 7.718 9.697 10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 339 8.477 8.214 11.468 1.00 0.00 H new ATOM 0 HG2 GLU A 339 10.595 8.860 10.273 1.00 0.00 H new ATOM 0 HG3 GLU A 339 9.837 10.344 9.731 1.00 0.00 H new ATOM 809 N GLU A 340 5.889 7.153 9.434 1.00 0.00 N ATOM 810 CA GLU A 340 5.042 5.967 9.264 1.00 0.00 C ATOM 811 C GLU A 340 5.188 5.350 7.863 1.00 0.00 C ATOM 812 O GLU A 340 5.311 4.140 7.679 1.00 0.00 O ATOM 813 CB GLU A 340 3.598 6.351 9.578 1.00 0.00 C ATOM 814 CG GLU A 340 2.556 5.245 9.436 1.00 0.00 C ATOM 815 CD GLU A 340 2.571 4.281 10.637 1.00 0.00 C ATOM 816 OE1 GLU A 340 3.650 3.912 11.157 1.00 0.00 O ATOM 817 OE2 GLU A 340 1.470 3.912 11.093 1.00 0.00 O ATOM 0 H GLU A 340 5.379 8.031 9.529 1.00 0.00 H new ATOM 0 HA GLU A 340 5.364 5.191 9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 340 3.559 6.728 10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 340 3.313 7.175 8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 340 1.566 5.690 9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 340 2.744 4.685 8.520 1.00 0.00 H new ATOM 824 N ALA A 341 5.225 6.215 6.860 1.00 0.00 N ATOM 825 CA ALA A 341 5.224 5.888 5.446 1.00 0.00 C ATOM 826 C ALA A 341 6.563 5.380 4.890 1.00 0.00 C ATOM 827 O ALA A 341 6.610 4.577 3.962 1.00 0.00 O ATOM 828 CB ALA A 341 4.840 7.203 4.809 1.00 0.00 C ATOM 0 H ALA A 341 5.258 7.221 7.023 1.00 0.00 H new ATOM 0 HA ALA A 341 4.552 5.056 5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 341 4.804 7.086 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 341 3.860 7.511 5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 341 5.578 7.962 5.068 1.00 0.00 H new ATOM 834 N VAL A 342 7.667 5.816 5.481 1.00 0.00 N ATOM 835 CA VAL A 342 9.036 5.375 5.204 1.00 0.00 C ATOM 836 C VAL A 342 9.322 4.058 5.909 1.00 0.00 C ATOM 837 O VAL A 342 10.034 3.197 5.397 1.00 0.00 O ATOM 838 CB VAL A 342 10.031 6.446 5.660 1.00 0.00 C ATOM 839 CG1 VAL A 342 10.257 6.506 7.153 1.00 0.00 C ATOM 840 CG2 VAL A 342 11.381 6.324 5.007 1.00 0.00 C ATOM 0 H VAL A 342 7.634 6.529 6.210 1.00 0.00 H new ATOM 0 HA VAL A 342 9.145 5.223 4.130 1.00 0.00 H new ATOM 0 HB VAL A 342 9.538 7.365 5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 342 10.976 7.293 7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 342 9.314 6.720 7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 342 10.645 5.549 7.501 1.00 0.00 H new ATOM 0 HG21 VAL A 342 12.036 7.114 5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 342 11.814 5.353 5.245 1.00 0.00 H new ATOM 0 HG23 VAL A 342 11.272 6.417 3.926 1.00 0.00 H new ATOM 850 N ALA A 343 8.674 3.843 7.054 1.00 0.00 N ATOM 851 CA ALA A 343 8.622 2.511 7.634 1.00 0.00 C ATOM 852 C ALA A 343 7.753 1.565 6.786 1.00 0.00 C ATOM 853 O ALA A 343 7.921 0.351 6.852 1.00 0.00 O ATOM 854 CB ALA A 343 8.146 2.615 9.074 1.00 0.00 C ATOM 0 H ALA A 343 8.187 4.564 7.587 1.00 0.00 H new ATOM 0 HA ALA A 343 9.620 2.072 7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 343 8.104 1.620 9.516 1.00 0.00 H new ATOM 0 HB2 ALA A 343 8.839 3.236 9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 343 7.153 3.064 9.097 1.00 0.00 H new ATOM 860 N ALA A 344 6.888 2.109 5.922 1.00 0.00 N ATOM 861 CA ALA A 344 6.212 1.396 4.841 1.00 0.00 C ATOM 862 C ALA A 344 7.089 1.212 3.579 1.00 0.00 C ATOM 863 O ALA A 344 6.952 0.212 2.882 1.00 0.00 O ATOM 864 CB ALA A 344 4.903 2.117 4.514 1.00 0.00 C ATOM 0 H ALA A 344 6.633 3.096 5.961 1.00 0.00 H new ATOM 0 HA ALA A 344 6.003 0.384 5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 344 4.390 1.592 3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 344 4.266 2.134 5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 344 5.119 3.139 4.202 1.00 0.00 H new ATOM 870 N MET A 345 8.065 2.087 3.316 1.00 0.00 N ATOM 871 CA MET A 345 9.055 1.928 2.221 1.00 0.00 C ATOM 872 C MET A 345 9.956 0.706 2.379 1.00 0.00 C ATOM 873 O MET A 345 10.242 -0.007 1.420 1.00 0.00 O ATOM 874 CB MET A 345 9.949 3.178 2.105 1.00 0.00 C ATOM 875 CG MET A 345 9.318 4.441 1.506 1.00 0.00 C ATOM 876 SD MET A 345 8.663 4.278 -0.169 1.00 0.00 S ATOM 877 CE MET A 345 7.129 3.393 0.206 1.00 0.00 C ATOM 0 H MET A 345 8.200 2.940 3.859 1.00 0.00 H new ATOM 0 HA MET A 345 8.461 1.789 1.318 1.00 0.00 H new ATOM 0 HB2 MET A 345 10.316 3.424 3.102 1.00 0.00 H new ATOM 0 HB3 MET A 345 10.818 2.916 1.501 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.510 4.766 2.161 1.00 0.00 H new ATOM 0 HG3 MET A 345 10.067 5.233 1.507 1.00 0.00 H new ATOM 0 HE1 MET A 345 6.312 3.817 -0.378 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.246 2.339 -0.046 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.904 3.489 1.268 1.00 0.00 H new ATOM 887 N SER A 346 10.355 0.453 3.620 1.00 0.00 N ATOM 888 CA SER A 346 11.485 -0.370 4.076 1.00 0.00 C ATOM 889 C SER A 346 11.527 -1.878 3.708 1.00 0.00 C ATOM 890 O SER A 346 12.405 -2.609 4.172 1.00 0.00 O ATOM 891 CB SER A 346 11.526 -0.136 5.586 1.00 0.00 C ATOM 892 OG SER A 346 10.630 -1.008 6.254 1.00 0.00 O ATOM 0 H SER A 346 9.853 0.854 4.412 1.00 0.00 H new ATOM 0 HA SER A 346 12.372 -0.049 3.529 1.00 0.00 H new ATOM 0 HB2 SER A 346 12.539 -0.295 5.956 1.00 0.00 H new ATOM 0 HB3 SER A 346 11.265 0.899 5.806 1.00 0.00 H new ATOM 0 HG SER A 346 10.672 -0.844 7.219 1.00 0.00 H new ATOM 898 N LYS A 347 10.585 -2.350 2.877 1.00 0.00 N ATOM 899 CA LYS A 347 10.413 -3.744 2.401 1.00 0.00 C ATOM 900 C LYS A 347 10.195 -3.903 0.897 1.00 0.00 C ATOM 901 O LYS A 347 10.484 -4.973 0.380 1.00 0.00 O ATOM 902 CB LYS A 347 9.292 -4.486 3.162 1.00 0.00 C ATOM 903 CG LYS A 347 7.872 -4.202 2.634 1.00 0.00 C ATOM 904 CD LYS A 347 7.445 -2.758 2.824 1.00 0.00 C ATOM 905 CE LYS A 347 7.246 -2.461 4.309 1.00 0.00 C ATOM 906 NZ LYS A 347 8.250 -1.559 4.893 1.00 0.00 N ATOM 0 H LYS A 347 9.872 -1.732 2.490 1.00 0.00 H new ATOM 0 HA LYS A 347 11.378 -4.200 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 347 9.480 -5.558 3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 347 9.338 -4.208 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 347 7.828 -4.451 1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 347 7.164 -4.854 3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 347 8.200 -2.090 2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 347 6.519 -2.570 2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.258 -2.023 4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.258 -3.402 4.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 7.825 -1.030 5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 9.054 -2.116 5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 8.582 -0.892 4.167 1.00 0.00 H new ATOM 920 N ASP A 348 9.633 -2.880 0.249 1.00 0.00 N ATOM 921 CA ASP A 348 8.930 -2.781 -1.038 1.00 0.00 C ATOM 922 C ASP A 348 8.218 -3.991 -1.700 1.00 0.00 C ATOM 923 O ASP A 348 7.145 -3.817 -2.278 1.00 0.00 O ATOM 924 CB ASP A 348 9.872 -2.065 -2.015 1.00 0.00 C ATOM 925 CG ASP A 348 11.101 -2.904 -2.404 1.00 0.00 C ATOM 926 OD1 ASP A 348 12.148 -2.835 -1.716 1.00 0.00 O ATOM 927 OD2 ASP A 348 11.039 -3.651 -3.403 1.00 0.00 O ATOM 0 H ASP A 348 9.666 -1.958 0.683 1.00 0.00 H new ATOM 0 HA ASP A 348 8.024 -2.237 -0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 348 9.318 -1.805 -2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 348 10.207 -1.130 -1.566 1.00 0.00 H new ATOM 932 N ARG A 349 8.736 -5.215 -1.635 1.00 0.00 N ATOM 933 CA ARG A 349 8.332 -6.333 -2.504 1.00 0.00 C ATOM 934 C ARG A 349 7.151 -7.193 -2.047 1.00 0.00 C ATOM 935 O ARG A 349 6.890 -8.258 -2.604 1.00 0.00 O ATOM 936 CB ARG A 349 9.536 -7.203 -2.775 1.00 0.00 C ATOM 937 CG ARG A 349 10.018 -7.947 -1.531 1.00 0.00 C ATOM 938 CD ARG A 349 11.441 -8.402 -1.806 1.00 0.00 C ATOM 939 NE ARG A 349 12.429 -7.458 -1.228 1.00 0.00 N ATOM 940 CZ ARG A 349 12.753 -6.265 -1.700 1.00 0.00 C ATOM 941 NH1 ARG A 349 12.662 -5.950 -2.958 1.00 0.00 N ATOM 942 NH2 ARG A 349 13.136 -5.320 -0.898 1.00 0.00 N ATOM 0 H ARG A 349 9.463 -5.469 -0.966 1.00 0.00 H new ATOM 0 HA ARG A 349 7.951 -5.852 -3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 349 9.289 -7.926 -3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 349 10.347 -6.585 -3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 349 9.984 -7.298 -0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 349 9.375 -8.801 -1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 349 11.595 -9.396 -1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 349 11.598 -8.483 -2.882 1.00 0.00 H new ATOM 0 HE ARG A 349 12.908 -7.760 -0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 349 12.328 -6.638 -3.633 1.00 0.00 H new ATOM 0 HH12 ARG A 349 12.925 -5.015 -3.270 1.00 0.00 H new ATOM 0 HH21 ARG A 349 13.189 -5.493 0.106 1.00 0.00 H new ATOM 0 HH22 ARG A 349 13.384 -4.404 -1.271 1.00 0.00 H new ATOM 956 N ALA A 350 6.509 -6.837 -0.952 1.00 0.00 N ATOM 957 CA ALA A 350 6.326 -7.870 0.089 1.00 0.00 C ATOM 958 C ALA A 350 4.870 -8.318 0.318 1.00 0.00 C ATOM 959 O ALA A 350 4.510 -8.896 1.343 1.00 0.00 O ATOM 960 CB ALA A 350 7.035 -7.433 1.370 1.00 0.00 C ATOM 0 H ALA A 350 6.124 -5.914 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 350 6.795 -8.781 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 350 6.900 -8.194 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 350 8.099 -7.303 1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 350 6.612 -6.490 1.716 1.00 0.00 H new ATOM 966 N ASN A 351 4.034 -8.007 -0.662 1.00 0.00 N ATOM 967 CA ASN A 351 2.585 -7.921 -0.564 1.00 0.00 C ATOM 968 C ASN A 351 1.815 -9.159 -1.011 1.00 0.00 C ATOM 969 O ASN A 351 0.785 -9.521 -0.440 1.00 0.00 O ATOM 970 CB ASN A 351 2.280 -6.793 -1.550 1.00 0.00 C ATOM 971 CG ASN A 351 0.803 -6.587 -1.814 1.00 0.00 C ATOM 972 OD1 ASN A 351 0.317 -6.727 -2.920 1.00 0.00 O ATOM 973 ND2 ASN A 351 0.032 -6.275 -0.815 1.00 0.00 N ATOM 0 H ASN A 351 4.369 -7.796 -1.602 1.00 0.00 H new ATOM 0 HA ASN A 351 2.284 -7.783 0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 351 2.703 -5.865 -1.166 1.00 0.00 H new ATOM 0 HB3 ASN A 351 2.781 -7.005 -2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 351 -0.969 -6.150 -0.963 1.00 0.00 H new ATOM 0 HD22 ASN A 351 0.428 -6.155 0.117 1.00 0.00 H new ATOM 980 N MET A 352 2.294 -9.737 -2.102 1.00 0.00 N ATOM 981 CA MET A 352 1.508 -10.607 -2.973 1.00 0.00 C ATOM 982 C MET A 352 2.331 -11.837 -3.275 1.00 0.00 C ATOM 983 O MET A 352 3.143 -11.860 -4.193 1.00 0.00 O ATOM 984 CB MET A 352 0.960 -9.861 -4.194 1.00 0.00 C ATOM 985 CG MET A 352 1.902 -9.009 -5.053 1.00 0.00 C ATOM 986 SD MET A 352 2.600 -9.782 -6.538 1.00 0.00 S ATOM 987 CE MET A 352 1.173 -9.656 -7.651 1.00 0.00 C ATOM 0 H MET A 352 3.257 -9.614 -2.415 1.00 0.00 H new ATOM 0 HA MET A 352 0.600 -10.943 -2.472 1.00 0.00 H new ATOM 0 HB2 MET A 352 0.503 -10.602 -4.850 1.00 0.00 H new ATOM 0 HB3 MET A 352 0.160 -9.209 -3.844 1.00 0.00 H new ATOM 0 HG2 MET A 352 1.361 -8.114 -5.361 1.00 0.00 H new ATOM 0 HG3 MET A 352 2.729 -8.681 -4.423 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.427 -10.087 -8.619 1.00 0.00 H new ATOM 0 HE2 MET A 352 0.329 -10.197 -7.223 1.00 0.00 H new ATOM 0 HE3 MET A 352 0.904 -8.608 -7.780 1.00 0.00 H new ATOM 997 N GLN A 353 2.181 -12.838 -2.407 1.00 0.00 N ATOM 998 CA GLN A 353 2.980 -14.067 -2.416 1.00 0.00 C ATOM 999 C GLN A 353 4.497 -13.799 -2.214 1.00 0.00 C ATOM 1000 O GLN A 353 5.321 -14.646 -2.568 1.00 0.00 O ATOM 1001 CB GLN A 353 2.644 -14.915 -3.673 1.00 0.00 C ATOM 1002 CG GLN A 353 1.249 -14.716 -4.324 1.00 0.00 C ATOM 1003 CD GLN A 353 0.042 -14.837 -3.384 1.00 0.00 C ATOM 1004 OE1 GLN A 353 0.066 -15.491 -2.349 1.00 0.00 O ATOM 1005 NE2 GLN A 353 -1.064 -14.188 -3.706 1.00 0.00 N ATOM 0 H GLN A 353 1.486 -12.818 -1.661 1.00 0.00 H new ATOM 0 HA GLN A 353 2.703 -14.666 -1.549 1.00 0.00 H new ATOM 0 HB2 GLN A 353 3.400 -14.707 -4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 353 2.742 -15.967 -3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 353 1.225 -13.730 -4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 353 1.136 -15.448 -5.124 1.00 0.00 H new ATOM 0 HE21 GLN A 353 -1.101 -13.638 -4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 353 -1.880 -14.237 -3.096 1.00 0.00 H new ATOM 1014 N HIS A 354 4.862 -12.623 -1.659 1.00 0.00 N ATOM 1015 CA HIS A 354 6.227 -12.063 -1.582 1.00 0.00 C ATOM 1016 C HIS A 354 6.956 -12.037 -2.944 1.00 0.00 C ATOM 1017 O HIS A 354 7.593 -13.016 -3.339 1.00 0.00 O ATOM 1018 CB HIS A 354 7.017 -12.775 -0.473 1.00 0.00 C ATOM 1019 CG HIS A 354 8.405 -12.221 -0.283 1.00 0.00 C ATOM 1020 ND1 HIS A 354 9.575 -12.767 -0.759 1.00 0.00 N ATOM 1021 CD2 HIS A 354 8.738 -11.074 0.385 1.00 0.00 C ATOM 1022 CE1 HIS A 354 10.593 -11.980 -0.376 1.00 0.00 C ATOM 1023 NE2 HIS A 354 10.131 -10.932 0.331 1.00 0.00 N ATOM 0 H HIS A 354 4.173 -12.005 -1.229 1.00 0.00 H new ATOM 0 HA HIS A 354 6.148 -11.010 -1.312 1.00 0.00 H new ATOM 0 HB2 HIS A 354 6.468 -12.692 0.465 1.00 0.00 H new ATOM 0 HB3 HIS A 354 7.086 -13.837 -0.709 1.00 0.00 H new ATOM 0 HD2 HIS A 354 8.049 -10.398 0.869 1.00 0.00 H new ATOM 0 HE1 HIS A 354 11.633 -12.162 -0.603 1.00 0.00 H new ATOM 0 HE2 HIS A 354 10.685 -10.183 0.745 1.00 0.00 H new ATOM 1031 N ARG A 355 6.834 -10.923 -3.683 1.00 0.00 N ATOM 1032 CA ARG A 355 7.178 -10.818 -5.128 1.00 0.00 C ATOM 1033 C ARG A 355 7.583 -9.391 -5.514 1.00 0.00 C ATOM 1034 O ARG A 355 8.778 -9.179 -5.701 1.00 0.00 O ATOM 1035 CB ARG A 355 6.022 -11.279 -6.051 1.00 0.00 C ATOM 1036 CG ARG A 355 5.590 -12.751 -5.995 1.00 0.00 C ATOM 1037 CD ARG A 355 6.658 -13.779 -6.402 1.00 0.00 C ATOM 1038 NE ARG A 355 6.790 -14.780 -5.330 1.00 0.00 N ATOM 1039 CZ ARG A 355 6.651 -16.086 -5.371 1.00 0.00 C ATOM 1040 NH1 ARG A 355 6.650 -16.765 -6.482 1.00 0.00 N ATOM 1041 NH2 ARG A 355 6.496 -16.723 -4.250 1.00 0.00 N ATOM 0 H ARG A 355 6.487 -10.046 -3.294 1.00 0.00 H new ATOM 0 HA ARG A 355 8.026 -11.487 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 355 5.149 -10.667 -5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 355 6.307 -11.055 -7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 355 5.265 -12.976 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 355 4.723 -12.880 -6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 355 6.378 -14.263 -7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 355 7.613 -13.282 -6.574 1.00 0.00 H new ATOM 0 HE ARG A 355 7.026 -14.401 -4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 355 6.761 -16.283 -7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 355 6.539 -17.779 -6.460 1.00 0.00 H new ATOM 0 HH21 ARG A 355 6.485 -16.209 -3.369 1.00 0.00 H new ATOM 0 HH22 ARG A 355 6.386 -17.737 -4.251 1.00 0.00 H new ATOM 1055 N TYR A 356 6.614 -8.456 -5.588 1.00 0.00 N ATOM 1056 CA TYR A 356 6.749 -6.981 -5.615 1.00 0.00 C ATOM 1057 C TYR A 356 5.503 -6.196 -6.032 1.00 0.00 C ATOM 1058 O TYR A 356 4.652 -6.650 -6.794 1.00 0.00 O ATOM 1059 CB TYR A 356 8.003 -6.511 -6.391 1.00 0.00 C ATOM 1060 CG TYR A 356 8.114 -5.043 -6.764 1.00 0.00 C ATOM 1061 CD1 TYR A 356 8.565 -4.095 -5.822 1.00 0.00 C ATOM 1062 CD2 TYR A 356 7.789 -4.634 -8.073 1.00 0.00 C ATOM 1063 CE1 TYR A 356 8.794 -2.766 -6.228 1.00 0.00 C ATOM 1064 CE2 TYR A 356 7.972 -3.295 -8.465 1.00 0.00 C ATOM 1065 CZ TYR A 356 8.493 -2.361 -7.543 1.00 0.00 C ATOM 1066 OH TYR A 356 8.674 -1.061 -7.893 1.00 0.00 O ATOM 0 H TYR A 356 5.634 -8.734 -5.634 1.00 0.00 H new ATOM 0 HA TYR A 356 6.881 -6.731 -4.562 1.00 0.00 H new ATOM 0 HB2 TYR A 356 8.878 -6.769 -5.795 1.00 0.00 H new ATOM 0 HB3 TYR A 356 8.061 -7.093 -7.311 1.00 0.00 H new ATOM 0 HD1 TYR A 356 8.734 -4.386 -4.796 1.00 0.00 H new ATOM 0 HD2 TYR A 356 7.398 -5.352 -8.779 1.00 0.00 H new ATOM 0 HE1 TYR A 356 9.203 -2.053 -5.527 1.00 0.00 H new ATOM 0 HE2 TYR A 356 7.715 -2.983 -9.467 1.00 0.00 H new ATOM 0 HH TYR A 356 8.184 -0.874 -8.721 1.00 0.00 H new ATOM 1076 N ILE A 357 5.468 -4.973 -5.492 1.00 0.00 N ATOM 1077 CA ILE A 357 4.518 -3.885 -5.685 1.00 0.00 C ATOM 1078 C ILE A 357 5.308 -2.590 -5.705 1.00 0.00 C ATOM 1079 O ILE A 357 6.233 -2.398 -4.918 1.00 0.00 O ATOM 1080 CB ILE A 357 3.576 -3.808 -4.478 1.00 0.00 C ATOM 1081 CG1 ILE A 357 2.671 -5.035 -4.392 1.00 0.00 C ATOM 1082 CG2 ILE A 357 2.747 -2.515 -4.407 1.00 0.00 C ATOM 1083 CD1 ILE A 357 1.730 -5.206 -5.584 1.00 0.00 C ATOM 0 H ILE A 357 6.194 -4.695 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 357 3.953 -4.044 -6.603 1.00 0.00 H new ATOM 0 HB ILE A 357 4.233 -3.792 -3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 357 3.293 -5.926 -4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 357 2.076 -4.971 -3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 357 2.108 -2.541 -3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 357 3.416 -1.657 -4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 357 2.129 -2.430 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 357 1.123 -6.100 -5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 357 1.080 -4.335 -5.662 1.00 0.00 H new ATOM 0 HD13 ILE A 357 2.315 -5.305 -6.498 1.00 0.00 H new ATOM 1095 N GLU A 358 4.866 -1.662 -6.535 1.00 0.00 N ATOM 1096 CA GLU A 358 5.455 -0.331 -6.652 1.00 0.00 C ATOM 1097 C GLU A 358 5.036 0.548 -5.474 1.00 0.00 C ATOM 1098 O GLU A 358 4.192 1.435 -5.600 1.00 0.00 O ATOM 1099 CB GLU A 358 5.183 0.282 -8.047 1.00 0.00 C ATOM 1100 CG GLU A 358 5.277 -0.706 -9.236 1.00 0.00 C ATOM 1101 CD GLU A 358 6.147 -0.187 -10.395 1.00 0.00 C ATOM 1102 OE1 GLU A 358 7.392 -0.199 -10.271 1.00 0.00 O ATOM 1103 OE2 GLU A 358 5.591 0.196 -11.457 1.00 0.00 O ATOM 0 H GLU A 358 4.074 -1.811 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 358 6.540 -0.407 -6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 358 4.187 0.725 -8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 358 5.892 1.093 -8.213 1.00 0.00 H new ATOM 0 HG2 GLU A 358 5.685 -1.652 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 358 4.273 -0.911 -9.609 1.00 0.00 H new ATOM 1110 N LEU A 359 5.626 0.247 -4.314 1.00 0.00 N ATOM 1111 CA LEU A 359 5.526 0.973 -3.067 1.00 0.00 C ATOM 1112 C LEU A 359 6.445 2.203 -3.034 1.00 0.00 C ATOM 1113 O LEU A 359 7.669 2.056 -3.003 1.00 0.00 O ATOM 1114 CB LEU A 359 5.943 0.005 -1.947 1.00 0.00 C ATOM 1115 CG LEU A 359 4.893 -0.980 -1.392 1.00 0.00 C ATOM 1116 CD1 LEU A 359 5.480 -1.510 -0.090 1.00 0.00 C ATOM 1117 CD2 LEU A 359 3.549 -0.283 -1.273 1.00 0.00 C ATOM 0 H LEU A 359 6.228 -0.572 -4.227 1.00 0.00 H new ATOM 0 HA LEU A 359 4.504 1.333 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 359 6.786 -0.581 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 359 6.309 0.603 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 359 4.688 -1.830 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 359 4.785 -2.218 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.426 -2.011 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 359 5.650 -0.681 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 359 2.810 -0.982 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 359 3.639 0.567 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.232 0.066 -2.256 1.00 0.00 H new ATOM 1129 N PHE A 360 5.860 3.406 -2.992 1.00 0.00 N ATOM 1130 CA PHE A 360 6.603 4.673 -3.050 1.00 0.00 C ATOM 1131 C PHE A 360 5.952 5.814 -2.256 1.00 0.00 C ATOM 1132 O PHE A 360 4.735 5.983 -2.255 1.00 0.00 O ATOM 1133 CB PHE A 360 6.754 5.090 -4.515 1.00 0.00 C ATOM 1134 CG PHE A 360 7.747 4.243 -5.281 1.00 0.00 C ATOM 1135 CD1 PHE A 360 9.115 4.568 -5.282 1.00 0.00 C ATOM 1136 CD2 PHE A 360 7.301 3.075 -5.925 1.00 0.00 C ATOM 1137 CE1 PHE A 360 10.038 3.722 -5.926 1.00 0.00 C ATOM 1138 CE2 PHE A 360 8.224 2.229 -6.563 1.00 0.00 C ATOM 1139 CZ PHE A 360 9.591 2.553 -6.568 1.00 0.00 C ATOM 0 H PHE A 360 4.850 3.530 -2.916 1.00 0.00 H new ATOM 0 HA PHE A 360 7.572 4.494 -2.583 1.00 0.00 H new ATOM 0 HB2 PHE A 360 5.782 5.029 -5.004 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.068 6.133 -4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.457 5.466 -4.789 1.00 0.00 H new ATOM 0 HD2 PHE A 360 6.250 2.828 -5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.089 3.971 -5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 360 7.882 1.328 -7.050 1.00 0.00 H new ATOM 0 HZ PHE A 360 10.298 1.905 -7.064 1.00 0.00 H new ATOM 1149 N LEU A 361 6.780 6.631 -1.600 1.00 0.00 N ATOM 1150 CA LEU A 361 6.360 7.864 -0.930 1.00 0.00 C ATOM 1151 C LEU A 361 5.852 8.925 -1.914 1.00 0.00 C ATOM 1152 O LEU A 361 6.125 8.902 -3.117 1.00 0.00 O ATOM 1153 CB LEU A 361 7.544 8.440 -0.120 1.00 0.00 C ATOM 1154 CG LEU A 361 7.753 7.743 1.225 1.00 0.00 C ATOM 1155 CD1 LEU A 361 9.181 7.889 1.758 1.00 0.00 C ATOM 1156 CD2 LEU A 361 6.844 8.375 2.272 1.00 0.00 C ATOM 0 H LEU A 361 7.781 6.450 -1.518 1.00 0.00 H new ATOM 0 HA LEU A 361 5.531 7.608 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 361 8.456 8.354 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.375 9.503 0.052 1.00 0.00 H new ATOM 0 HG LEU A 361 7.535 6.689 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.267 7.374 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.881 7.452 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.413 8.945 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 361 6.993 7.878 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 361 7.084 9.434 2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.804 8.266 1.964 1.00 0.00 H new ATOM 1168 N ASN A 362 5.165 9.908 -1.337 1.00 0.00 N ATOM 1169 CA ASN A 362 4.581 11.055 -2.025 1.00 0.00 C ATOM 1170 C ASN A 362 4.984 12.406 -1.404 1.00 0.00 C ATOM 1171 O ASN A 362 4.598 13.456 -1.917 1.00 0.00 O ATOM 1172 CB ASN A 362 3.062 10.893 -1.902 1.00 0.00 C ATOM 1173 CG ASN A 362 2.485 9.765 -2.734 1.00 0.00 C ATOM 1174 OD1 ASN A 362 2.392 9.831 -3.952 1.00 0.00 O ATOM 1175 ND2 ASN A 362 2.047 8.715 -2.085 1.00 0.00 N ATOM 0 H ASN A 362 4.993 9.927 -0.332 1.00 0.00 H new ATOM 0 HA ASN A 362 4.936 11.071 -3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 362 2.810 10.722 -0.855 1.00 0.00 H new ATOM 0 HB3 ASN A 362 2.584 11.827 -2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.623 7.940 -2.595 1.00 0.00 H new ATOM 0 HD22 ASN A 362 2.130 8.672 -1.069 1.00 0.00 H new ATOM 1182 N SER A 363 5.644 12.392 -0.239 1.00 0.00 N ATOM 1183 CA SER A 363 5.436 13.439 0.776 1.00 0.00 C ATOM 1184 C SER A 363 6.570 13.539 1.810 1.00 0.00 C ATOM 1185 O SER A 363 7.441 12.675 1.907 1.00 0.00 O ATOM 1186 CB SER A 363 4.110 13.123 1.491 1.00 0.00 C ATOM 1187 OG SER A 363 2.997 13.622 0.768 1.00 0.00 O ATOM 0 H SER A 363 6.321 11.676 0.025 1.00 0.00 H new ATOM 0 HA SER A 363 5.417 14.403 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 363 4.011 12.045 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 363 4.121 13.559 2.490 1.00 0.00 H new ATOM 0 HG SER A 363 2.171 13.403 1.248 1.00 0.00 H new ATOM 1193 N THR A 364 6.484 14.582 2.642 1.00 0.00 N ATOM 1194 CA THR A 364 7.263 14.820 3.878 1.00 0.00 C ATOM 1195 C THR A 364 6.272 14.938 5.059 1.00 0.00 C ATOM 1196 O THR A 364 5.064 14.961 4.823 1.00 0.00 O ATOM 1197 CB THR A 364 8.117 16.094 3.701 1.00 0.00 C ATOM 1198 OG1 THR A 364 8.965 15.946 2.579 1.00 0.00 O ATOM 1199 CG2 THR A 364 9.054 16.416 4.866 1.00 0.00 C ATOM 0 H THR A 364 5.824 15.339 2.464 1.00 0.00 H new ATOM 0 HA THR A 364 7.946 13.996 4.085 1.00 0.00 H new ATOM 0 HB THR A 364 7.383 16.895 3.609 1.00 0.00 H new ATOM 0 HG1 THR A 364 9.505 16.756 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 364 9.609 17.328 4.645 1.00 0.00 H new ATOM 0 HG22 THR A 364 8.469 16.558 5.775 1.00 0.00 H new ATOM 0 HG23 THR A 364 9.753 15.592 5.010 1.00 0.00 H new ATOM 1207 N THR A 365 6.731 14.979 6.321 1.00 0.00 N ATOM 1208 CA THR A 365 5.909 15.334 7.507 1.00 0.00 C ATOM 1209 C THR A 365 5.125 16.646 7.288 1.00 0.00 C ATOM 1210 O THR A 365 5.635 17.753 7.458 1.00 0.00 O ATOM 1211 CB THR A 365 6.748 15.347 8.803 1.00 0.00 C ATOM 1212 OG1 THR A 365 5.988 15.827 9.886 1.00 0.00 O ATOM 1213 CG2 THR A 365 8.073 16.117 8.754 1.00 0.00 C ATOM 0 H THR A 365 7.700 14.764 6.558 1.00 0.00 H new ATOM 0 HA THR A 365 5.163 14.549 7.634 1.00 0.00 H new ATOM 0 HB THR A 365 7.023 14.300 8.931 1.00 0.00 H new ATOM 0 HG1 THR A 365 6.538 15.826 10.697 1.00 0.00 H new ATOM 0 HG21 THR A 365 8.568 16.052 9.723 1.00 0.00 H new ATOM 0 HG22 THR A 365 8.717 15.685 7.988 1.00 0.00 H new ATOM 0 HG23 THR A 365 7.878 17.163 8.516 1.00 0.00 H new