USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 602 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 310 SER OG : rot 71:sc= 1.97 USER MOD Set 1.2: A 347 LYS NZ :NH3+ -139:sc= 1.52 (180deg=-2.68!) USER MOD Set 2.1: A 290 CYS SG : rot -4:sc= 0.399 USER MOD Set 2.2: A 362 ASN : amide:sc= 1.27 K(o=2.8,f=0.33) USER MOD Set 2.3: A 363 SER OG : rot 79:sc= 1.15 USER MOD Single : A 287 THR OG1 : rot 25:sc= 0.23 USER MOD Single : A 289 HIS : no HE2:sc= -4.44! C(o=-4.4!,f=-9.8!) USER MOD Single : A 292 HIS : no HE2:sc= -0.188 K(o=-0.19,f=-9.4!) USER MOD Single : A 293 MET CE :methyl 158:sc= -2.76 (180deg=-4.31!) USER MOD Single : A 298 TYR OH : rot 180:sc= 0 USER MOD Single : A 299 LYS NZ :NH3+ -179:sc= 0.817 (180deg=0.813) USER MOD Single : A 301 THR OG1 : rot 180:sc= 0 USER MOD Single : A 303 ASN : amide:sc= 1.14 K(o=1.1,f=-0.015) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.698 K(o=0.7,f=0) USER MOD Single : A 313 ASN : amide:sc= 0.3 X(o=0.3,f=0) USER MOD Single : A 318 HIS : no HD1:sc= -0.527 X(o=-0.53,f=-0.16) USER MOD Single : A 328 THR OG1 : rot -129:sc= 0.763 USER MOD Single : A 337 THR OG1 : rot -46:sc= 1 USER MOD Single : A 338 HIS : no HE2:sc= 0.164 K(o=0.16,f=-1.7!) USER MOD Single : A 345 MET CE :methyl 135:sc= -2.9! (180deg=-8.52!) USER MOD Single : A 346 SER OG : rot -109:sc= 0.636 USER MOD Single : A 351 ASN : amide:sc= -2.54 K(o=-2.5,f=-5.2!) USER MOD Single : A 352 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 353 GLN : amide:sc= -0.388 K(o=-0.39,f=-2.3!) USER MOD Single : A 354 HIS : no HD1:sc=-0.00406 X(o=-0.0041,f=-0.27) USER MOD Single : A 356 TYR OH : rot 23:sc= 1.2 USER MOD Single : A 364 THR OG1 : rot 180:sc= 0 USER MOD Single : A 365 THR OG1 : rot 180:sc= -0.0152 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 287 -2.933 13.273 10.176 1.00 0.00 N ATOM 2 CA THR A 287 -3.283 12.998 8.762 1.00 0.00 C ATOM 3 C THR A 287 -2.594 13.982 7.832 1.00 0.00 C ATOM 4 O THR A 287 -2.536 15.179 8.115 1.00 0.00 O ATOM 5 CB THR A 287 -4.798 13.017 8.544 1.00 0.00 C ATOM 6 OG1 THR A 287 -5.374 12.134 9.476 1.00 0.00 O ATOM 7 CG2 THR A 287 -5.228 12.548 7.149 1.00 0.00 C ATOM 0 HA THR A 287 -2.927 11.995 8.526 1.00 0.00 H new ATOM 0 HB THR A 287 -5.126 14.050 8.659 1.00 0.00 H new ATOM 0 HG1 THR A 287 -4.783 12.047 10.253 1.00 0.00 H new ATOM 0 HG21 THR A 287 -6.314 12.589 7.070 1.00 0.00 H new ATOM 0 HG22 THR A 287 -4.784 13.197 6.394 1.00 0.00 H new ATOM 0 HG23 THR A 287 -4.891 11.524 6.990 1.00 0.00 H new ATOM 15 N GLY A 288 -2.064 13.484 6.713 1.00 0.00 N ATOM 16 CA GLY A 288 -1.449 14.301 5.660 1.00 0.00 C ATOM 17 C GLY A 288 -0.636 13.485 4.669 1.00 0.00 C ATOM 18 O GLY A 288 -0.743 13.686 3.457 1.00 0.00 O ATOM 0 H GLY A 288 -2.049 12.485 6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 288 -2.230 14.839 5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 288 -0.804 15.050 6.120 1.00 0.00 H new ATOM 22 N HIS A 289 0.151 12.542 5.187 1.00 0.00 N ATOM 23 CA HIS A 289 0.931 11.624 4.370 1.00 0.00 C ATOM 24 C HIS A 289 0.070 10.759 3.440 1.00 0.00 C ATOM 25 O HIS A 289 -1.043 10.394 3.821 1.00 0.00 O ATOM 26 CB HIS A 289 1.739 10.674 5.267 1.00 0.00 C ATOM 27 CG HIS A 289 3.072 10.480 4.627 1.00 0.00 C ATOM 28 ND1 HIS A 289 4.038 11.448 4.511 1.00 0.00 N ATOM 29 CD2 HIS A 289 3.448 9.426 3.848 1.00 0.00 C ATOM 30 CE1 HIS A 289 5.000 10.966 3.716 1.00 0.00 C ATOM 31 NE2 HIS A 289 4.673 9.749 3.270 1.00 0.00 N ATOM 0 H HIS A 289 0.263 12.396 6.190 1.00 0.00 H new ATOM 0 HA HIS A 289 1.580 12.250 3.758 1.00 0.00 H new ATOM 0 HB2 HIS A 289 1.851 11.093 6.267 1.00 0.00 H new ATOM 0 HB3 HIS A 289 1.224 9.720 5.377 1.00 0.00 H new ATOM 0 HD1 HIS A 289 4.025 12.368 4.951 1.00 0.00 H new ATOM 0 HD2 HIS A 289 2.897 8.508 3.705 1.00 0.00 H new ATOM 0 HE1 HIS A 289 5.913 11.487 3.469 1.00 0.00 H new ATOM 39 N CYS A 290 0.640 10.278 2.328 1.00 0.00 N ATOM 40 CA CYS A 290 0.200 9.023 1.712 1.00 0.00 C ATOM 41 C CYS A 290 1.309 8.277 0.952 1.00 0.00 C ATOM 42 O CYS A 290 2.389 8.825 0.718 1.00 0.00 O ATOM 43 CB CYS A 290 -1.038 9.265 0.828 1.00 0.00 C ATOM 44 SG CYS A 290 -0.655 10.050 -0.763 1.00 0.00 S ATOM 0 H CYS A 290 1.406 10.740 1.838 1.00 0.00 H new ATOM 0 HA CYS A 290 -0.075 8.357 2.530 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.534 8.312 0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.745 9.892 1.372 1.00 0.00 H new ATOM 0 HG CYS A 290 0.614 10.330 -0.815 1.00 0.00 H new ATOM 50 N VAL A 291 1.046 7.024 0.554 1.00 0.00 N ATOM 51 CA VAL A 291 2.017 6.158 -0.142 1.00 0.00 C ATOM 52 C VAL A 291 1.332 5.478 -1.304 1.00 0.00 C ATOM 53 O VAL A 291 0.280 4.864 -1.129 1.00 0.00 O ATOM 54 CB VAL A 291 2.614 5.056 0.757 1.00 0.00 C ATOM 55 CG1 VAL A 291 4.053 4.734 0.358 1.00 0.00 C ATOM 56 CG2 VAL A 291 2.615 5.454 2.217 1.00 0.00 C ATOM 0 H VAL A 291 0.143 6.575 0.707 1.00 0.00 H new ATOM 0 HA VAL A 291 2.831 6.807 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 291 1.980 4.180 0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 291 4.446 3.954 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 291 4.075 4.388 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.666 5.630 0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 291 3.044 4.649 2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 291 3.210 6.358 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.592 5.642 2.544 1.00 0.00 H new ATOM 66 N HIS A 292 1.937 5.584 -2.480 1.00 0.00 N ATOM 67 CA HIS A 292 1.362 5.070 -3.710 1.00 0.00 C ATOM 68 C HIS A 292 1.774 3.609 -3.938 1.00 0.00 C ATOM 69 O HIS A 292 2.872 3.188 -3.556 1.00 0.00 O ATOM 70 CB HIS A 292 1.774 6.004 -4.851 1.00 0.00 C ATOM 71 CG HIS A 292 1.112 5.658 -6.147 1.00 0.00 C ATOM 72 ND1 HIS A 292 -0.153 5.137 -6.296 1.00 0.00 N ATOM 73 CD2 HIS A 292 1.698 5.690 -7.381 1.00 0.00 C ATOM 74 CE1 HIS A 292 -0.293 4.779 -7.574 1.00 0.00 C ATOM 75 NE2 HIS A 292 0.789 5.142 -8.288 1.00 0.00 N ATOM 0 H HIS A 292 2.845 6.032 -2.605 1.00 0.00 H new ATOM 0 HA HIS A 292 0.273 5.056 -3.656 1.00 0.00 H new ATOM 0 HB2 HIS A 292 1.525 7.031 -4.583 1.00 0.00 H new ATOM 0 HB3 HIS A 292 2.856 5.961 -4.977 1.00 0.00 H new ATOM 0 HD1 HIS A 292 -0.856 5.042 -5.563 1.00 0.00 H new ATOM 0 HD2 HIS A 292 2.683 6.069 -7.612 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -1.155 4.269 -7.979 1.00 0.00 H new ATOM 83 N MET A 293 0.863 2.835 -4.535 1.00 0.00 N ATOM 84 CA MET A 293 0.945 1.386 -4.690 1.00 0.00 C ATOM 85 C MET A 293 0.379 0.991 -6.050 1.00 0.00 C ATOM 86 O MET A 293 -0.789 1.283 -6.330 1.00 0.00 O ATOM 87 CB MET A 293 0.126 0.667 -3.604 1.00 0.00 C ATOM 88 CG MET A 293 0.172 1.354 -2.243 1.00 0.00 C ATOM 89 SD MET A 293 -0.744 0.470 -0.964 1.00 0.00 S ATOM 90 CE MET A 293 0.383 -0.918 -0.684 1.00 0.00 C ATOM 0 H MET A 293 0.011 3.222 -4.941 1.00 0.00 H new ATOM 0 HA MET A 293 1.992 1.095 -4.603 1.00 0.00 H new ATOM 0 HB2 MET A 293 -0.912 0.598 -3.931 1.00 0.00 H new ATOM 0 HB3 MET A 293 0.496 -0.353 -3.499 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.211 1.456 -1.931 1.00 0.00 H new ATOM 0 HG3 MET A 293 -0.233 2.362 -2.339 1.00 0.00 H new ATOM 0 HE1 MET A 293 0.200 -1.342 0.303 1.00 0.00 H new ATOM 0 HE2 MET A 293 0.216 -1.682 -1.444 1.00 0.00 H new ATOM 0 HE3 MET A 293 1.413 -0.568 -0.743 1.00 0.00 H new ATOM 100 N ARG A 294 1.165 0.297 -6.881 1.00 0.00 N ATOM 101 CA ARG A 294 0.642 -0.297 -8.127 1.00 0.00 C ATOM 102 C ARG A 294 1.174 -1.704 -8.380 1.00 0.00 C ATOM 103 O ARG A 294 2.370 -1.963 -8.233 1.00 0.00 O ATOM 104 CB ARG A 294 0.893 0.614 -9.343 1.00 0.00 C ATOM 105 CG ARG A 294 0.330 2.029 -9.205 1.00 0.00 C ATOM 106 CD ARG A 294 0.466 2.811 -10.528 1.00 0.00 C ATOM 107 NE ARG A 294 -0.841 3.110 -11.153 1.00 0.00 N ATOM 108 CZ ARG A 294 -1.500 4.255 -11.184 1.00 0.00 C ATOM 109 NH1 ARG A 294 -1.105 5.333 -10.569 1.00 0.00 N ATOM 110 NH2 ARG A 294 -2.609 4.317 -11.855 1.00 0.00 N ATOM 0 H ARG A 294 2.158 0.131 -6.720 1.00 0.00 H new ATOM 0 HA ARG A 294 -0.435 -0.386 -7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 294 1.967 0.680 -9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 294 0.456 0.148 -10.226 1.00 0.00 H new ATOM 0 HG2 ARG A 294 -0.719 1.980 -8.914 1.00 0.00 H new ATOM 0 HG3 ARG A 294 0.857 2.558 -8.410 1.00 0.00 H new ATOM 0 HD2 ARG A 294 0.996 3.745 -10.340 1.00 0.00 H new ATOM 0 HD3 ARG A 294 1.074 2.234 -11.225 1.00 0.00 H new ATOM 0 HE ARG A 294 -1.295 2.327 -11.623 1.00 0.00 H new ATOM 0 HH11 ARG A 294 -0.242 5.323 -10.025 1.00 0.00 H new ATOM 0 HH12 ARG A 294 -1.658 6.188 -10.631 1.00 0.00 H new ATOM 0 HH21 ARG A 294 -2.956 3.492 -12.345 1.00 0.00 H new ATOM 0 HH22 ARG A 294 -3.134 5.191 -11.893 1.00 0.00 H new ATOM 124 N GLY A 295 0.265 -2.606 -8.753 1.00 0.00 N ATOM 125 CA GLY A 295 0.547 -4.008 -9.081 1.00 0.00 C ATOM 126 C GLY A 295 0.000 -5.003 -8.050 1.00 0.00 C ATOM 127 O GLY A 295 0.492 -6.130 -7.976 1.00 0.00 O ATOM 0 H GLY A 295 -0.725 -2.374 -8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 295 0.119 -4.237 -10.057 1.00 0.00 H new ATOM 0 HA3 GLY A 295 1.625 -4.142 -9.166 1.00 0.00 H new ATOM 131 N LEU A 296 -0.966 -4.582 -7.220 1.00 0.00 N ATOM 132 CA LEU A 296 -1.576 -5.399 -6.165 1.00 0.00 C ATOM 133 C LEU A 296 -2.167 -6.727 -6.695 1.00 0.00 C ATOM 134 O LEU A 296 -2.558 -6.812 -7.863 1.00 0.00 O ATOM 135 CB LEU A 296 -2.682 -4.615 -5.447 1.00 0.00 C ATOM 136 CG LEU A 296 -2.385 -3.180 -4.973 1.00 0.00 C ATOM 137 CD1 LEU A 296 -3.636 -2.580 -4.328 1.00 0.00 C ATOM 138 CD2 LEU A 296 -1.274 -3.131 -3.931 1.00 0.00 C ATOM 0 H LEU A 296 -1.353 -3.639 -7.267 1.00 0.00 H new ATOM 0 HA LEU A 296 -0.772 -5.644 -5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 296 -3.542 -4.571 -6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 296 -2.985 -5.195 -4.575 1.00 0.00 H new ATOM 0 HG LEU A 296 -2.074 -2.619 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -3.422 -1.565 -3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 296 -4.447 -2.559 -5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 296 -3.932 -3.188 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 296 -1.103 -2.098 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 296 -1.565 -3.719 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 296 -0.358 -3.541 -4.356 1.00 0.00 H new ATOM 150 N PRO A 297 -2.285 -7.759 -5.838 1.00 0.00 N ATOM 151 CA PRO A 297 -2.890 -9.034 -6.227 1.00 0.00 C ATOM 152 C PRO A 297 -4.408 -8.927 -6.450 1.00 0.00 C ATOM 153 O PRO A 297 -5.072 -8.037 -5.920 1.00 0.00 O ATOM 154 CB PRO A 297 -2.543 -10.016 -5.102 1.00 0.00 C ATOM 155 CG PRO A 297 -2.241 -9.129 -3.890 1.00 0.00 C ATOM 156 CD PRO A 297 -1.737 -7.825 -4.490 1.00 0.00 C ATOM 0 HA PRO A 297 -2.500 -9.371 -7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 297 -3.372 -10.695 -4.899 1.00 0.00 H new ATOM 0 HB3 PRO A 297 -1.683 -10.632 -5.366 1.00 0.00 H new ATOM 0 HG2 PRO A 297 -3.132 -8.969 -3.283 1.00 0.00 H new ATOM 0 HG3 PRO A 297 -1.492 -9.584 -3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 297 -2.063 -6.971 -3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 297 -0.647 -7.802 -4.511 1.00 0.00 H new ATOM 164 N TYR A 298 -4.985 -9.914 -7.144 1.00 0.00 N ATOM 165 CA TYR A 298 -6.425 -10.022 -7.453 1.00 0.00 C ATOM 166 C TYR A 298 -7.342 -10.280 -6.218 1.00 0.00 C ATOM 167 O TYR A 298 -8.525 -10.591 -6.361 1.00 0.00 O ATOM 168 CB TYR A 298 -6.604 -11.047 -8.592 1.00 0.00 C ATOM 169 CG TYR A 298 -7.029 -12.445 -8.183 1.00 0.00 C ATOM 170 CD1 TYR A 298 -6.134 -13.294 -7.505 1.00 0.00 C ATOM 171 CD2 TYR A 298 -8.341 -12.877 -8.464 1.00 0.00 C ATOM 172 CE1 TYR A 298 -6.556 -14.575 -7.098 1.00 0.00 C ATOM 173 CE2 TYR A 298 -8.765 -14.156 -8.058 1.00 0.00 C ATOM 174 CZ TYR A 298 -7.872 -15.009 -7.371 1.00 0.00 C ATOM 175 OH TYR A 298 -8.272 -16.248 -6.970 1.00 0.00 O ATOM 0 H TYR A 298 -4.445 -10.692 -7.523 1.00 0.00 H new ATOM 0 HA TYR A 298 -6.775 -9.047 -7.792 1.00 0.00 H new ATOM 0 HB2 TYR A 298 -7.344 -10.656 -9.290 1.00 0.00 H new ATOM 0 HB3 TYR A 298 -5.662 -11.122 -9.135 1.00 0.00 H new ATOM 0 HD1 TYR A 298 -5.127 -12.964 -7.297 1.00 0.00 H new ATOM 0 HD2 TYR A 298 -9.022 -12.225 -8.992 1.00 0.00 H new ATOM 0 HE1 TYR A 298 -5.871 -15.227 -6.576 1.00 0.00 H new ATOM 0 HE2 TYR A 298 -9.771 -14.485 -8.271 1.00 0.00 H new ATOM 0 HH TYR A 298 -9.205 -16.392 -7.234 1.00 0.00 H new ATOM 185 N LYS A 299 -6.815 -10.115 -4.996 1.00 0.00 N ATOM 186 CA LYS A 299 -7.536 -10.115 -3.703 1.00 0.00 C ATOM 187 C LYS A 299 -7.245 -8.876 -2.827 1.00 0.00 C ATOM 188 O LYS A 299 -7.561 -8.880 -1.639 1.00 0.00 O ATOM 189 CB LYS A 299 -7.349 -11.460 -2.963 1.00 0.00 C ATOM 190 CG LYS A 299 -5.936 -12.061 -2.963 1.00 0.00 C ATOM 191 CD LYS A 299 -4.798 -11.167 -2.446 1.00 0.00 C ATOM 192 CE LYS A 299 -4.867 -10.820 -0.955 1.00 0.00 C ATOM 193 NZ LYS A 299 -3.577 -10.273 -0.465 1.00 0.00 N ATOM 0 H LYS A 299 -5.813 -9.969 -4.870 1.00 0.00 H new ATOM 0 HA LYS A 299 -8.598 -10.025 -3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 299 -7.660 -11.324 -1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 299 -8.028 -12.189 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 299 -5.954 -12.969 -2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 299 -5.695 -12.360 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 299 -3.848 -11.664 -2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 299 -4.797 -10.240 -3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 299 -5.660 -10.092 -0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 299 -5.126 -11.712 -0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 299 -3.652 -10.064 0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 299 -2.822 -10.972 -0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 299 -3.352 -9.399 -0.982 1.00 0.00 H new ATOM 207 N ALA A 300 -6.645 -7.823 -3.388 1.00 0.00 N ATOM 208 CA ALA A 300 -6.358 -6.556 -2.729 1.00 0.00 C ATOM 209 C ALA A 300 -7.552 -5.979 -1.942 1.00 0.00 C ATOM 210 O ALA A 300 -8.704 -6.011 -2.373 1.00 0.00 O ATOM 211 CB ALA A 300 -5.897 -5.569 -3.806 1.00 0.00 C ATOM 0 H ALA A 300 -6.334 -7.836 -4.359 1.00 0.00 H new ATOM 0 HA ALA A 300 -5.582 -6.728 -1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.673 -4.607 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -5.002 -5.955 -4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -6.688 -5.442 -4.546 1.00 0.00 H new ATOM 217 N THR A 301 -7.248 -5.397 -0.792 1.00 0.00 N ATOM 218 CA THR A 301 -8.149 -4.614 0.061 1.00 0.00 C ATOM 219 C THR A 301 -7.368 -3.543 0.781 1.00 0.00 C ATOM 220 O THR A 301 -6.172 -3.688 0.964 1.00 0.00 O ATOM 221 CB THR A 301 -8.852 -5.448 1.146 1.00 0.00 C ATOM 222 OG1 THR A 301 -8.974 -6.824 0.838 1.00 0.00 O ATOM 223 CG2 THR A 301 -10.260 -4.941 1.340 1.00 0.00 C ATOM 0 H THR A 301 -6.309 -5.459 -0.399 1.00 0.00 H new ATOM 0 HA THR A 301 -8.904 -4.205 -0.611 1.00 0.00 H new ATOM 0 HB THR A 301 -8.225 -5.343 2.031 1.00 0.00 H new ATOM 0 HG1 THR A 301 -9.428 -7.285 1.574 1.00 0.00 H new ATOM 0 HG21 THR A 301 -10.757 -5.533 2.109 1.00 0.00 H new ATOM 0 HG22 THR A 301 -10.231 -3.896 1.648 1.00 0.00 H new ATOM 0 HG23 THR A 301 -10.810 -5.028 0.403 1.00 0.00 H new ATOM 231 N GLU A 302 -8.033 -2.499 1.263 1.00 0.00 N ATOM 232 CA GLU A 302 -7.398 -1.491 2.102 1.00 0.00 C ATOM 233 C GLU A 302 -6.642 -2.107 3.278 1.00 0.00 C ATOM 234 O GLU A 302 -5.452 -1.874 3.437 1.00 0.00 O ATOM 235 CB GLU A 302 -8.431 -0.466 2.565 1.00 0.00 C ATOM 236 CG GLU A 302 -9.823 -0.944 2.974 1.00 0.00 C ATOM 237 CD GLU A 302 -9.940 -1.720 4.292 1.00 0.00 C ATOM 238 OE1 GLU A 302 -9.887 -1.104 5.380 1.00 0.00 O ATOM 239 OE2 GLU A 302 -10.081 -2.965 4.224 1.00 0.00 O ATOM 0 H GLU A 302 -9.023 -2.328 1.084 1.00 0.00 H new ATOM 0 HA GLU A 302 -6.649 -0.977 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -8.005 0.069 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -8.556 0.260 1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -10.474 -0.072 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -10.211 -1.575 2.175 1.00 0.00 H new ATOM 246 N ASN A 303 -7.269 -2.979 4.059 1.00 0.00 N ATOM 247 CA ASN A 303 -6.589 -3.578 5.194 1.00 0.00 C ATOM 248 C ASN A 303 -5.498 -4.551 4.770 1.00 0.00 C ATOM 249 O ASN A 303 -4.441 -4.624 5.393 1.00 0.00 O ATOM 250 CB ASN A 303 -7.619 -4.185 6.140 1.00 0.00 C ATOM 251 CG ASN A 303 -8.156 -5.529 5.678 1.00 0.00 C ATOM 252 OD1 ASN A 303 -7.630 -6.584 6.003 1.00 0.00 O ATOM 253 ND2 ASN A 303 -9.204 -5.532 4.890 1.00 0.00 N ATOM 0 H ASN A 303 -8.234 -3.282 3.928 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.057 -2.800 5.741 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.169 -4.303 7.126 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -8.451 -3.490 6.251 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -9.582 -6.415 4.547 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -9.642 -4.651 4.620 1.00 0.00 H new ATOM 260 N ASP A 304 -5.722 -5.224 3.646 1.00 0.00 N ATOM 261 CA ASP A 304 -4.735 -6.097 3.034 1.00 0.00 C ATOM 262 C ASP A 304 -3.430 -5.338 2.748 1.00 0.00 C ATOM 263 O ASP A 304 -2.342 -5.775 3.129 1.00 0.00 O ATOM 264 CB ASP A 304 -5.315 -6.707 1.762 1.00 0.00 C ATOM 265 CG ASP A 304 -4.341 -7.701 1.124 1.00 0.00 C ATOM 266 OD1 ASP A 304 -4.008 -8.722 1.770 1.00 0.00 O ATOM 267 OD2 ASP A 304 -3.934 -7.498 -0.044 1.00 0.00 O ATOM 0 H ASP A 304 -6.602 -5.176 3.132 1.00 0.00 H new ATOM 0 HA ASP A 304 -4.491 -6.902 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -6.253 -7.212 1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -5.547 -5.915 1.050 1.00 0.00 H new ATOM 272 N ILE A 305 -3.544 -4.149 2.152 1.00 0.00 N ATOM 273 CA ILE A 305 -2.388 -3.387 1.693 1.00 0.00 C ATOM 274 C ILE A 305 -1.594 -2.759 2.827 1.00 0.00 C ATOM 275 O ILE A 305 -0.364 -2.783 2.807 1.00 0.00 O ATOM 276 CB ILE A 305 -2.771 -2.352 0.635 1.00 0.00 C ATOM 277 CG1 ILE A 305 -3.841 -1.368 1.089 1.00 0.00 C ATOM 278 CG2 ILE A 305 -3.191 -3.127 -0.625 1.00 0.00 C ATOM 279 CD1 ILE A 305 -3.840 -0.064 0.329 1.00 0.00 C ATOM 0 H ILE A 305 -4.438 -3.691 1.976 1.00 0.00 H new ATOM 0 HA ILE A 305 -1.723 -4.112 1.223 1.00 0.00 H new ATOM 0 HB ILE A 305 -1.909 -1.716 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 305 -4.819 -1.837 0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -3.701 -1.158 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -3.473 -2.423 -1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -2.358 -3.739 -0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -4.040 -3.769 -0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -4.631 0.581 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.876 0.430 0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -4.012 -0.260 -0.729 1.00 0.00 H new ATOM 291 N TYR A 306 -2.262 -2.226 3.849 1.00 0.00 N ATOM 292 CA TYR A 306 -1.525 -1.496 4.869 1.00 0.00 C ATOM 293 C TYR A 306 -0.976 -2.401 5.961 1.00 0.00 C ATOM 294 O TYR A 306 0.066 -2.101 6.547 1.00 0.00 O ATOM 295 CB TYR A 306 -2.351 -0.337 5.400 1.00 0.00 C ATOM 296 CG TYR A 306 -3.440 -0.695 6.383 1.00 0.00 C ATOM 297 CD1 TYR A 306 -3.092 -1.050 7.700 1.00 0.00 C ATOM 298 CD2 TYR A 306 -4.790 -0.534 6.020 1.00 0.00 C ATOM 299 CE1 TYR A 306 -4.101 -1.261 8.659 1.00 0.00 C ATOM 300 CE2 TYR A 306 -5.802 -0.711 6.987 1.00 0.00 C ATOM 301 CZ TYR A 306 -5.457 -1.085 8.306 1.00 0.00 C ATOM 302 OH TYR A 306 -6.429 -1.283 9.239 1.00 0.00 O ATOM 0 H TYR A 306 -3.271 -2.283 3.988 1.00 0.00 H new ATOM 0 HA TYR A 306 -0.640 -1.067 4.399 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -1.677 0.374 5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -2.808 0.176 4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -2.053 -1.160 7.974 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.051 -0.276 5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -3.838 -1.557 9.664 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -6.838 -0.561 6.720 1.00 0.00 H new ATOM 0 HH TYR A 306 -7.307 -1.120 8.836 1.00 0.00 H new ATOM 312 N ASN A 307 -1.653 -3.524 6.204 1.00 0.00 N ATOM 313 CA ASN A 307 -1.175 -4.506 7.182 1.00 0.00 C ATOM 314 C ASN A 307 0.005 -5.334 6.650 1.00 0.00 C ATOM 315 O ASN A 307 0.781 -5.867 7.447 1.00 0.00 O ATOM 316 CB ASN A 307 -2.329 -5.377 7.709 1.00 0.00 C ATOM 317 CG ASN A 307 -2.391 -6.768 7.094 1.00 0.00 C ATOM 318 OD1 ASN A 307 -2.021 -7.763 7.701 1.00 0.00 O ATOM 319 ND2 ASN A 307 -2.815 -6.880 5.861 1.00 0.00 N ATOM 0 H ASN A 307 -2.527 -3.776 5.742 1.00 0.00 H new ATOM 0 HA ASN A 307 -0.783 -3.953 8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.232 -5.474 8.790 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -3.272 -4.865 7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -2.836 -7.795 5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -3.125 -6.053 5.351 1.00 0.00 H new ATOM 326 N PHE A 308 0.169 -5.423 5.321 1.00 0.00 N ATOM 327 CA PHE A 308 1.398 -5.962 4.745 1.00 0.00 C ATOM 328 C PHE A 308 2.491 -4.890 4.727 1.00 0.00 C ATOM 329 O PHE A 308 3.597 -5.231 5.127 1.00 0.00 O ATOM 330 CB PHE A 308 1.153 -6.606 3.369 1.00 0.00 C ATOM 331 CG PHE A 308 1.672 -5.817 2.187 1.00 0.00 C ATOM 332 CD1 PHE A 308 3.046 -5.611 1.943 1.00 0.00 C ATOM 333 CD2 PHE A 308 0.730 -5.145 1.405 1.00 0.00 C ATOM 334 CE1 PHE A 308 3.450 -4.591 1.084 1.00 0.00 C ATOM 335 CE2 PHE A 308 1.128 -4.124 0.543 1.00 0.00 C ATOM 336 CZ PHE A 308 2.482 -3.806 0.441 1.00 0.00 C ATOM 0 H PHE A 308 -0.529 -5.131 4.637 1.00 0.00 H new ATOM 0 HA PHE A 308 1.755 -6.772 5.381 1.00 0.00 H new ATOM 0 HB2 PHE A 308 1.617 -7.592 3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 308 0.081 -6.757 3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 308 3.782 -6.241 2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 308 -0.313 -5.418 1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 308 4.501 -4.406 0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 308 0.395 -3.585 -0.040 1.00 0.00 H new ATOM 0 HZ PHE A 308 2.788 -2.947 -0.138 1.00 0.00 H new ATOM 346 N PHE A 309 2.213 -3.631 4.324 1.00 0.00 N ATOM 347 CA PHE A 309 3.186 -2.514 4.229 1.00 0.00 C ATOM 348 C PHE A 309 4.094 -2.385 5.443 1.00 0.00 C ATOM 349 O PHE A 309 5.202 -1.909 5.269 1.00 0.00 O ATOM 350 CB PHE A 309 2.454 -1.163 4.154 1.00 0.00 C ATOM 351 CG PHE A 309 2.637 -0.332 2.903 1.00 0.00 C ATOM 352 CD1 PHE A 309 3.936 -0.132 2.405 1.00 0.00 C ATOM 353 CD2 PHE A 309 1.563 0.366 2.325 1.00 0.00 C ATOM 354 CE1 PHE A 309 4.163 0.756 1.347 1.00 0.00 C ATOM 355 CE2 PHE A 309 1.799 1.250 1.255 1.00 0.00 C ATOM 356 CZ PHE A 309 3.093 1.435 0.752 1.00 0.00 C ATOM 0 H PHE A 309 1.272 -3.352 4.045 1.00 0.00 H new ATOM 0 HA PHE A 309 3.771 -2.744 3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 309 1.388 -1.352 4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 309 2.772 -0.562 5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 309 4.766 -0.668 2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.560 0.225 2.700 1.00 0.00 H new ATOM 0 HE1 PHE A 309 5.169 0.918 0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.973 1.791 0.817 1.00 0.00 H new ATOM 0 HZ PHE A 309 3.264 2.095 -0.086 1.00 0.00 H new ATOM 366 N SER A 310 3.614 -2.761 6.629 1.00 0.00 N ATOM 367 CA SER A 310 4.271 -3.338 7.833 1.00 0.00 C ATOM 368 C SER A 310 3.231 -3.288 8.986 1.00 0.00 C ATOM 369 O SER A 310 2.041 -3.252 8.651 1.00 0.00 O ATOM 370 CB SER A 310 5.577 -2.633 8.186 1.00 0.00 C ATOM 371 OG SER A 310 6.604 -2.625 7.223 1.00 0.00 O ATOM 0 H SER A 310 2.615 -2.658 6.805 1.00 0.00 H new ATOM 0 HA SER A 310 4.569 -4.369 7.641 1.00 0.00 H new ATOM 0 HB2 SER A 310 5.342 -1.598 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 310 5.972 -3.094 9.091 1.00 0.00 H new ATOM 0 HG SER A 310 6.353 -2.035 6.482 1.00 0.00 H new ATOM 377 N PRO A 311 3.539 -3.268 10.310 1.00 0.00 N ATOM 378 CA PRO A 311 2.494 -3.308 11.337 1.00 0.00 C ATOM 379 C PRO A 311 1.882 -1.925 11.647 1.00 0.00 C ATOM 380 O PRO A 311 1.761 -1.488 12.794 1.00 0.00 O ATOM 381 CB PRO A 311 3.155 -3.990 12.531 1.00 0.00 C ATOM 382 CG PRO A 311 4.536 -3.359 12.498 1.00 0.00 C ATOM 383 CD PRO A 311 4.827 -3.310 11.002 1.00 0.00 C ATOM 0 HA PRO A 311 1.617 -3.865 11.006 1.00 0.00 H new ATOM 0 HB2 PRO A 311 2.631 -3.786 13.465 1.00 0.00 H new ATOM 0 HB3 PRO A 311 3.194 -5.073 12.417 1.00 0.00 H new ATOM 0 HG2 PRO A 311 4.542 -2.366 12.947 1.00 0.00 H new ATOM 0 HG3 PRO A 311 5.271 -3.957 13.037 1.00 0.00 H new ATOM 0 HD2 PRO A 311 5.425 -2.433 10.755 1.00 0.00 H new ATOM 0 HD3 PRO A 311 5.401 -4.184 10.693 1.00 0.00 H new ATOM 391 N LEU A 312 1.574 -1.201 10.576 1.00 0.00 N ATOM 392 CA LEU A 312 1.250 0.221 10.532 1.00 0.00 C ATOM 393 C LEU A 312 -0.198 0.531 10.928 1.00 0.00 C ATOM 394 O LEU A 312 -1.068 -0.344 10.960 1.00 0.00 O ATOM 395 CB LEU A 312 1.512 0.726 9.109 1.00 0.00 C ATOM 396 CG LEU A 312 2.871 0.391 8.484 1.00 0.00 C ATOM 397 CD1 LEU A 312 3.107 1.343 7.332 1.00 0.00 C ATOM 398 CD2 LEU A 312 4.085 0.542 9.390 1.00 0.00 C ATOM 0 H LEU A 312 1.542 -1.623 9.648 1.00 0.00 H new ATOM 0 HA LEU A 312 1.880 0.727 11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 312 0.734 0.325 8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 312 1.399 1.810 9.109 1.00 0.00 H new ATOM 0 HG LEU A 312 2.797 -0.663 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 312 4.070 1.124 6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 312 2.315 1.223 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 312 3.107 2.368 7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 312 4.987 0.277 8.837 1.00 0.00 H new ATOM 0 HD22 LEU A 312 4.158 1.575 9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 312 3.981 -0.118 10.251 1.00 0.00 H new ATOM 410 N ASN A 313 -0.471 1.813 11.159 1.00 0.00 N ATOM 411 CA ASN A 313 -1.783 2.398 11.427 1.00 0.00 C ATOM 412 C ASN A 313 -1.998 3.660 10.548 1.00 0.00 C ATOM 413 O ASN A 313 -1.753 4.793 10.980 1.00 0.00 O ATOM 414 CB ASN A 313 -1.949 2.699 12.928 1.00 0.00 C ATOM 415 CG ASN A 313 -2.509 1.567 13.780 1.00 0.00 C ATOM 416 OD1 ASN A 313 -3.107 1.796 14.823 1.00 0.00 O ATOM 417 ND2 ASN A 313 -2.368 0.322 13.388 1.00 0.00 N ATOM 0 H ASN A 313 0.267 2.517 11.164 1.00 0.00 H new ATOM 0 HA ASN A 313 -2.556 1.677 11.160 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -0.977 2.983 13.331 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -2.603 3.564 13.034 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -2.754 -0.437 13.950 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -1.872 0.113 12.521 1.00 0.00 H new ATOM 424 N PRO A 314 -2.471 3.479 9.301 1.00 0.00 N ATOM 425 CA PRO A 314 -3.100 4.502 8.499 1.00 0.00 C ATOM 426 C PRO A 314 -4.197 5.209 9.262 1.00 0.00 C ATOM 427 O PRO A 314 -4.934 4.642 10.074 1.00 0.00 O ATOM 428 CB PRO A 314 -3.695 3.840 7.258 1.00 0.00 C ATOM 429 CG PRO A 314 -3.098 2.453 7.236 1.00 0.00 C ATOM 430 CD PRO A 314 -2.725 2.211 8.698 1.00 0.00 C ATOM 0 HA PRO A 314 -2.351 5.245 8.226 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -4.783 3.801 7.314 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -3.441 4.394 6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -3.812 1.713 6.875 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -2.226 2.400 6.584 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -3.533 1.696 9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -1.844 1.573 8.766 1.00 0.00 H new ATOM 438 N VAL A 315 -4.324 6.464 8.890 1.00 0.00 N ATOM 439 CA VAL A 315 -5.358 7.383 9.341 1.00 0.00 C ATOM 440 C VAL A 315 -6.365 7.662 8.222 1.00 0.00 C ATOM 441 O VAL A 315 -7.430 8.230 8.472 1.00 0.00 O ATOM 442 CB VAL A 315 -4.665 8.613 9.932 1.00 0.00 C ATOM 443 CG1 VAL A 315 -3.795 8.118 11.103 1.00 0.00 C ATOM 444 CG2 VAL A 315 -3.758 9.335 8.930 1.00 0.00 C ATOM 0 H VAL A 315 -3.678 6.898 8.231 1.00 0.00 H new ATOM 0 HA VAL A 315 -5.971 6.954 10.134 1.00 0.00 H new ATOM 0 HB VAL A 315 -5.432 9.325 10.237 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -3.280 8.965 11.557 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -4.428 7.637 11.848 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -3.061 7.402 10.734 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -3.297 10.197 9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -2.980 8.653 8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -4.350 9.669 8.078 1.00 0.00 H new ATOM 454 N ARG A 316 -6.076 7.143 7.016 1.00 0.00 N ATOM 455 CA ARG A 316 -7.035 6.832 5.948 1.00 0.00 C ATOM 456 C ARG A 316 -6.475 5.735 5.011 1.00 0.00 C ATOM 457 O ARG A 316 -5.274 5.475 5.016 1.00 0.00 O ATOM 458 CB ARG A 316 -7.313 8.132 5.172 1.00 0.00 C ATOM 459 CG ARG A 316 -8.662 8.136 4.429 1.00 0.00 C ATOM 460 CD ARG A 316 -8.767 9.224 3.350 1.00 0.00 C ATOM 461 NE ARG A 316 -7.888 8.973 2.186 1.00 0.00 N ATOM 462 CZ ARG A 316 -7.933 9.587 1.016 1.00 0.00 C ATOM 463 NH1 ARG A 316 -8.870 10.443 0.716 1.00 0.00 N ATOM 464 NH2 ARG A 316 -7.028 9.367 0.106 1.00 0.00 N ATOM 0 H ARG A 316 -5.118 6.919 6.749 1.00 0.00 H new ATOM 0 HA ARG A 316 -7.962 6.446 6.373 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -7.289 8.971 5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -6.511 8.292 4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -8.815 7.161 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -9.465 8.275 5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -9.800 9.292 3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -8.512 10.189 3.789 1.00 0.00 H new ATOM 0 HE ARG A 316 -7.175 8.253 2.298 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -9.601 10.658 1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -8.872 10.897 -0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -6.268 8.712 0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -7.079 9.850 -0.791 1.00 0.00 H new ATOM 478 N VAL A 317 -7.305 5.125 4.163 1.00 0.00 N ATOM 479 CA VAL A 317 -6.849 4.325 3.002 1.00 0.00 C ATOM 480 C VAL A 317 -7.660 4.695 1.760 1.00 0.00 C ATOM 481 O VAL A 317 -8.843 5.031 1.849 1.00 0.00 O ATOM 482 CB VAL A 317 -6.935 2.796 3.243 1.00 0.00 C ATOM 483 CG1 VAL A 317 -6.133 2.015 2.187 1.00 0.00 C ATOM 484 CG2 VAL A 317 -6.447 2.296 4.601 1.00 0.00 C ATOM 0 H VAL A 317 -8.320 5.166 4.254 1.00 0.00 H new ATOM 0 HA VAL A 317 -5.796 4.566 2.853 1.00 0.00 H new ATOM 0 HB VAL A 317 -8.008 2.615 3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -6.214 0.946 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -6.530 2.231 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -5.086 2.313 2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.557 1.213 4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -5.398 2.561 4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.038 2.757 5.392 1.00 0.00 H new ATOM 494 N HIS A 318 -7.030 4.574 0.593 1.00 0.00 N ATOM 495 CA HIS A 318 -7.599 4.817 -0.729 1.00 0.00 C ATOM 496 C HIS A 318 -7.229 3.673 -1.668 1.00 0.00 C ATOM 497 O HIS A 318 -6.503 3.782 -2.658 1.00 0.00 O ATOM 498 CB HIS A 318 -7.163 6.190 -1.219 1.00 0.00 C ATOM 499 CG HIS A 318 -7.539 6.514 -2.646 1.00 0.00 C ATOM 500 ND1 HIS A 318 -8.796 6.768 -3.149 1.00 0.00 N ATOM 501 CD2 HIS A 318 -6.678 6.495 -3.710 1.00 0.00 C ATOM 502 CE1 HIS A 318 -8.693 6.902 -4.484 1.00 0.00 C ATOM 503 NE2 HIS A 318 -7.414 6.753 -4.875 1.00 0.00 N ATOM 0 H HIS A 318 -6.052 4.287 0.543 1.00 0.00 H new ATOM 0 HA HIS A 318 -8.688 4.834 -0.691 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -7.598 6.946 -0.565 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -6.080 6.267 -1.119 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -5.615 6.313 -3.661 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -9.521 7.101 -5.148 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -7.053 6.815 -5.827 1.00 0.00 H new ATOM 511 N ILE A 319 -7.755 2.522 -1.291 1.00 0.00 N ATOM 512 CA ILE A 319 -7.884 1.360 -2.149 1.00 0.00 C ATOM 513 C ILE A 319 -8.713 1.744 -3.397 1.00 0.00 C ATOM 514 O ILE A 319 -9.768 2.374 -3.281 1.00 0.00 O ATOM 515 CB ILE A 319 -8.480 0.248 -1.273 1.00 0.00 C ATOM 516 CG1 ILE A 319 -8.263 -1.162 -1.839 1.00 0.00 C ATOM 517 CG2 ILE A 319 -9.978 0.421 -0.969 1.00 0.00 C ATOM 518 CD1 ILE A 319 -6.797 -1.574 -2.033 1.00 0.00 C ATOM 0 H ILE A 319 -8.115 2.366 -0.350 1.00 0.00 H new ATOM 0 HA ILE A 319 -6.940 0.992 -2.550 1.00 0.00 H new ATOM 0 HB ILE A 319 -7.922 0.351 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -8.740 -1.880 -1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -8.773 -1.232 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -10.321 -0.405 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -10.136 1.362 -0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -10.540 0.429 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -6.754 -2.586 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.314 -0.885 -2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -6.281 -1.544 -1.074 1.00 0.00 H new ATOM 530 N GLU A 320 -8.235 1.415 -4.596 1.00 0.00 N ATOM 531 CA GLU A 320 -8.924 1.728 -5.860 1.00 0.00 C ATOM 532 C GLU A 320 -8.601 0.696 -6.948 1.00 0.00 C ATOM 533 O GLU A 320 -7.435 0.393 -7.220 1.00 0.00 O ATOM 534 CB GLU A 320 -8.605 3.158 -6.344 1.00 0.00 C ATOM 535 CG GLU A 320 -9.407 3.490 -7.616 1.00 0.00 C ATOM 536 CD GLU A 320 -9.352 4.985 -7.980 1.00 0.00 C ATOM 537 OE1 GLU A 320 -10.182 5.768 -7.454 1.00 0.00 O ATOM 538 OE2 GLU A 320 -8.523 5.382 -8.835 1.00 0.00 O ATOM 0 H GLU A 320 -7.353 0.920 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 320 -9.994 1.678 -5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -8.844 3.875 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -7.538 3.250 -6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -9.019 2.903 -8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -10.446 3.193 -7.473 1.00 0.00 H new ATOM 545 N ILE A 321 -9.668 0.154 -7.546 1.00 0.00 N ATOM 546 CA ILE A 321 -9.658 -0.978 -8.480 1.00 0.00 C ATOM 547 C ILE A 321 -10.886 -0.982 -9.411 1.00 0.00 C ATOM 548 O ILE A 321 -11.805 -0.178 -9.269 1.00 0.00 O ATOM 549 CB ILE A 321 -9.492 -2.286 -7.646 1.00 0.00 C ATOM 550 CG1 ILE A 321 -7.984 -2.596 -7.506 1.00 0.00 C ATOM 551 CG2 ILE A 321 -10.269 -3.506 -8.150 1.00 0.00 C ATOM 552 CD1 ILE A 321 -7.576 -4.067 -7.467 1.00 0.00 C ATOM 0 H ILE A 321 -10.610 0.511 -7.383 1.00 0.00 H new ATOM 0 HA ILE A 321 -8.815 -0.894 -9.166 1.00 0.00 H new ATOM 0 HB ILE A 321 -9.946 -2.087 -6.675 1.00 0.00 H new ATOM 0 HG12 ILE A 321 -7.463 -2.123 -8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 321 -7.625 -2.121 -6.593 1.00 0.00 H new ATOM 0 HG21 ILE A 321 -10.078 -4.355 -7.494 1.00 0.00 H new ATOM 0 HG22 ILE A 321 -11.336 -3.282 -8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 321 -9.947 -3.750 -9.162 1.00 0.00 H new ATOM 0 HD11 ILE A 321 -6.493 -4.142 -7.367 1.00 0.00 H new ATOM 0 HD12 ILE A 321 -8.054 -4.555 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 321 -7.889 -4.556 -8.389 1.00 0.00 H new ATOM 564 N GLY A 322 -10.864 -1.934 -10.351 1.00 0.00 N ATOM 565 CA GLY A 322 -11.952 -2.406 -11.198 1.00 0.00 C ATOM 566 C GLY A 322 -13.338 -2.533 -10.525 1.00 0.00 C ATOM 567 O GLY A 322 -14.113 -1.572 -10.520 1.00 0.00 O ATOM 0 H GLY A 322 -10.000 -2.437 -10.552 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -12.044 -1.728 -12.046 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -11.675 -3.381 -11.599 1.00 0.00 H new ATOM 571 N PRO A 323 -13.673 -3.718 -9.969 1.00 0.00 N ATOM 572 CA PRO A 323 -14.956 -3.986 -9.307 1.00 0.00 C ATOM 573 C PRO A 323 -15.072 -3.408 -7.882 1.00 0.00 C ATOM 574 O PRO A 323 -16.147 -2.959 -7.481 1.00 0.00 O ATOM 575 CB PRO A 323 -15.050 -5.522 -9.246 1.00 0.00 C ATOM 576 CG PRO A 323 -13.597 -5.997 -9.263 1.00 0.00 C ATOM 577 CD PRO A 323 -12.925 -4.955 -10.139 1.00 0.00 C ATOM 0 HA PRO A 323 -15.760 -3.506 -9.866 1.00 0.00 H new ATOM 0 HB2 PRO A 323 -15.565 -5.852 -8.344 1.00 0.00 H new ATOM 0 HB3 PRO A 323 -15.607 -5.919 -10.094 1.00 0.00 H new ATOM 0 HG2 PRO A 323 -13.167 -6.025 -8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 323 -13.502 -7.000 -9.679 1.00 0.00 H new ATOM 0 HD2 PRO A 323 -11.883 -4.820 -9.849 1.00 0.00 H new ATOM 0 HD3 PRO A 323 -12.927 -5.268 -11.183 1.00 0.00 H new ATOM 585 N ASP A 324 -13.991 -3.492 -7.095 1.00 0.00 N ATOM 586 CA ASP A 324 -14.020 -3.543 -5.614 1.00 0.00 C ATOM 587 C ASP A 324 -12.610 -3.685 -5.001 1.00 0.00 C ATOM 588 O ASP A 324 -12.248 -2.978 -4.060 1.00 0.00 O ATOM 589 CB ASP A 324 -14.888 -4.757 -5.205 1.00 0.00 C ATOM 590 CG ASP A 324 -14.810 -5.160 -3.724 1.00 0.00 C ATOM 591 OD1 ASP A 324 -14.933 -4.285 -2.834 1.00 0.00 O ATOM 592 OD2 ASP A 324 -14.660 -6.377 -3.455 1.00 0.00 O ATOM 0 H ASP A 324 -13.044 -3.528 -7.473 1.00 0.00 H new ATOM 0 HA ASP A 324 -14.433 -2.607 -5.238 1.00 0.00 H new ATOM 0 HB2 ASP A 324 -15.927 -4.536 -5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 324 -14.593 -5.613 -5.812 1.00 0.00 H new ATOM 597 N GLY A 325 -11.804 -4.599 -5.554 1.00 0.00 N ATOM 598 CA GLY A 325 -10.510 -5.016 -4.986 1.00 0.00 C ATOM 599 C GLY A 325 -9.847 -6.215 -5.668 1.00 0.00 C ATOM 600 O GLY A 325 -9.011 -6.870 -5.049 1.00 0.00 O ATOM 0 H GLY A 325 -12.034 -5.080 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -9.824 -4.170 -5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -10.655 -5.254 -3.932 1.00 0.00 H new ATOM 604 N ARG A 326 -10.269 -6.611 -6.883 1.00 0.00 N ATOM 605 CA ARG A 326 -10.065 -7.989 -7.353 1.00 0.00 C ATOM 606 C ARG A 326 -9.226 -8.086 -8.645 1.00 0.00 C ATOM 607 O ARG A 326 -9.309 -9.071 -9.373 1.00 0.00 O ATOM 608 CB ARG A 326 -11.409 -8.756 -7.393 1.00 0.00 C ATOM 609 CG ARG A 326 -11.890 -9.277 -6.021 1.00 0.00 C ATOM 610 CD ARG A 326 -12.308 -8.197 -5.008 1.00 0.00 C ATOM 611 NE ARG A 326 -11.362 -8.093 -3.869 1.00 0.00 N ATOM 612 CZ ARG A 326 -11.637 -8.013 -2.577 1.00 0.00 C ATOM 613 NH1 ARG A 326 -12.850 -7.985 -2.111 1.00 0.00 N ATOM 614 NH2 ARG A 326 -10.672 -7.931 -1.709 1.00 0.00 N ATOM 0 H ARG A 326 -10.747 -6.003 -7.548 1.00 0.00 H new ATOM 0 HA ARG A 326 -9.440 -8.500 -6.621 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -12.175 -8.100 -7.807 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -11.310 -9.601 -8.074 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -12.736 -9.945 -6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -11.092 -9.874 -5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 326 -12.371 -7.233 -5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 326 -13.305 -8.424 -4.629 1.00 0.00 H new ATOM 0 HE ARG A 326 -10.372 -8.082 -4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 326 -13.643 -8.025 -2.751 1.00 0.00 H new ATOM 0 HH12 ARG A 326 -13.009 -7.923 -1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 326 -9.702 -7.928 -2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 326 -10.885 -7.869 -0.713 1.00 0.00 H new ATOM 628 N VAL A 327 -8.452 -7.035 -8.958 1.00 0.00 N ATOM 629 CA VAL A 327 -7.734 -6.838 -10.243 1.00 0.00 C ATOM 630 C VAL A 327 -6.328 -6.225 -10.012 1.00 0.00 C ATOM 631 O VAL A 327 -5.575 -6.723 -9.180 1.00 0.00 O ATOM 632 CB VAL A 327 -8.611 -6.053 -11.260 1.00 0.00 C ATOM 633 CG1 VAL A 327 -8.105 -6.137 -12.711 1.00 0.00 C ATOM 634 CG2 VAL A 327 -10.033 -6.611 -11.307 1.00 0.00 C ATOM 0 H VAL A 327 -8.298 -6.267 -8.305 1.00 0.00 H new ATOM 0 HA VAL A 327 -7.555 -7.811 -10.700 1.00 0.00 H new ATOM 0 HB VAL A 327 -8.569 -5.024 -10.904 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -8.767 -5.565 -13.361 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -7.097 -5.727 -12.769 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -8.092 -7.179 -13.032 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -10.623 -6.043 -12.026 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -10.003 -7.658 -11.608 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -10.488 -6.530 -10.320 1.00 0.00 H new ATOM 644 N THR A 328 -5.960 -5.178 -10.759 1.00 0.00 N ATOM 645 CA THR A 328 -4.598 -4.639 -10.955 1.00 0.00 C ATOM 646 C THR A 328 -4.061 -3.828 -9.780 1.00 0.00 C ATOM 647 O THR A 328 -2.877 -3.923 -9.454 1.00 0.00 O ATOM 648 CB THR A 328 -4.570 -3.791 -12.252 1.00 0.00 C ATOM 649 OG1 THR A 328 -3.340 -3.127 -12.433 1.00 0.00 O ATOM 650 CG2 THR A 328 -5.669 -2.719 -12.327 1.00 0.00 C ATOM 0 H THR A 328 -6.652 -4.642 -11.283 1.00 0.00 H new ATOM 0 HA THR A 328 -3.934 -5.499 -11.035 1.00 0.00 H new ATOM 0 HB THR A 328 -4.736 -4.530 -13.036 1.00 0.00 H new ATOM 0 HG1 THR A 328 -3.504 -2.177 -12.610 1.00 0.00 H new ATOM 0 HG21 THR A 328 -5.579 -2.171 -13.265 1.00 0.00 H new ATOM 0 HG22 THR A 328 -6.647 -3.197 -12.279 1.00 0.00 H new ATOM 0 HG23 THR A 328 -5.561 -2.028 -11.491 1.00 0.00 H new ATOM 658 N GLY A 329 -4.940 -3.085 -9.105 1.00 0.00 N ATOM 659 CA GLY A 329 -4.634 -2.440 -7.832 1.00 0.00 C ATOM 660 C GLY A 329 -3.700 -1.256 -7.916 1.00 0.00 C ATOM 661 O GLY A 329 -2.487 -1.411 -8.037 1.00 0.00 O ATOM 0 H GLY A 329 -5.891 -2.914 -9.431 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -5.568 -2.113 -7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -4.195 -3.181 -7.164 1.00 0.00 H new ATOM 665 N GLU A 330 -4.293 -0.069 -7.878 1.00 0.00 N ATOM 666 CA GLU A 330 -3.653 1.174 -8.297 1.00 0.00 C ATOM 667 C GLU A 330 -4.106 2.302 -7.353 1.00 0.00 C ATOM 668 O GLU A 330 -4.982 3.111 -7.666 1.00 0.00 O ATOM 669 CB GLU A 330 -3.954 1.394 -9.793 1.00 0.00 C ATOM 670 CG GLU A 330 -3.295 0.298 -10.657 1.00 0.00 C ATOM 671 CD GLU A 330 -3.314 0.586 -12.170 1.00 0.00 C ATOM 672 OE1 GLU A 330 -2.866 1.682 -12.582 1.00 0.00 O ATOM 673 OE2 GLU A 330 -3.715 -0.301 -12.960 1.00 0.00 O ATOM 0 H GLU A 330 -5.250 0.060 -7.549 1.00 0.00 H new ATOM 0 HA GLU A 330 -2.566 1.146 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 330 -5.032 1.391 -9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 330 -3.588 2.374 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 330 -2.261 0.172 -10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 330 -3.804 -0.648 -10.473 1.00 0.00 H new ATOM 680 N ALA A 331 -3.552 2.264 -6.137 1.00 0.00 N ATOM 681 CA ALA A 331 -4.130 2.765 -4.892 1.00 0.00 C ATOM 682 C ALA A 331 -3.130 3.576 -4.054 1.00 0.00 C ATOM 683 O ALA A 331 -1.943 3.679 -4.381 1.00 0.00 O ATOM 684 CB ALA A 331 -4.600 1.513 -4.132 1.00 0.00 C ATOM 0 H ALA A 331 -2.629 1.856 -5.990 1.00 0.00 H new ATOM 0 HA ALA A 331 -4.946 3.458 -5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -5.047 1.810 -3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -5.339 0.980 -4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -3.747 0.861 -3.943 1.00 0.00 H new ATOM 690 N ASP A 332 -3.620 4.122 -2.940 1.00 0.00 N ATOM 691 CA ASP A 332 -2.829 4.843 -1.953 1.00 0.00 C ATOM 692 C ASP A 332 -3.309 4.530 -0.524 1.00 0.00 C ATOM 693 O ASP A 332 -4.374 3.951 -0.296 1.00 0.00 O ATOM 694 CB ASP A 332 -2.869 6.361 -2.212 1.00 0.00 C ATOM 695 CG ASP A 332 -1.835 6.858 -3.235 1.00 0.00 C ATOM 696 OD1 ASP A 332 -2.049 6.690 -4.458 1.00 0.00 O ATOM 697 OD2 ASP A 332 -0.828 7.470 -2.803 1.00 0.00 O ATOM 0 H ASP A 332 -4.609 4.071 -2.696 1.00 0.00 H new ATOM 0 HA ASP A 332 -1.797 4.507 -2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -3.866 6.632 -2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -2.708 6.883 -1.268 1.00 0.00 H new ATOM 702 N VAL A 333 -2.505 4.939 0.450 1.00 0.00 N ATOM 703 CA VAL A 333 -2.782 4.826 1.885 1.00 0.00 C ATOM 704 C VAL A 333 -2.107 5.922 2.645 1.00 0.00 C ATOM 705 O VAL A 333 -0.968 6.284 2.376 1.00 0.00 O ATOM 706 CB VAL A 333 -2.366 3.451 2.438 1.00 0.00 C ATOM 707 CG1 VAL A 333 -1.061 2.856 1.944 1.00 0.00 C ATOM 708 CG2 VAL A 333 -2.449 3.347 3.954 1.00 0.00 C ATOM 0 H VAL A 333 -1.604 5.377 0.258 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.860 4.924 2.017 1.00 0.00 H new ATOM 0 HB VAL A 333 -3.139 2.827 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -0.900 1.888 2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -1.106 2.727 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -0.238 3.525 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -2.141 2.350 4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -1.791 4.089 4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -3.475 3.527 4.275 1.00 0.00 H new ATOM 718 N GLU A 334 -2.859 6.460 3.590 1.00 0.00 N ATOM 719 CA GLU A 334 -2.592 7.721 4.223 1.00 0.00 C ATOM 720 C GLU A 334 -2.288 7.503 5.685 1.00 0.00 C ATOM 721 O GLU A 334 -3.070 6.913 6.431 1.00 0.00 O ATOM 722 CB GLU A 334 -3.827 8.586 4.171 1.00 0.00 C ATOM 723 CG GLU A 334 -4.273 9.123 2.813 1.00 0.00 C ATOM 724 CD GLU A 334 -4.786 8.062 1.831 1.00 0.00 C ATOM 725 OE1 GLU A 334 -5.652 7.246 2.214 1.00 0.00 O ATOM 726 OE2 GLU A 334 -4.486 8.157 0.621 1.00 0.00 O ATOM 0 H GLU A 334 -3.701 6.006 3.944 1.00 0.00 H new ATOM 0 HA GLU A 334 -1.754 8.190 3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -4.654 8.012 4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -3.664 9.439 4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -5.060 9.860 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -3.435 9.646 2.353 1.00 0.00 H new ATOM 733 N PHE A 335 -1.153 8.015 6.109 1.00 0.00 N ATOM 734 CA PHE A 335 -0.505 7.494 7.301 1.00 0.00 C ATOM 735 C PHE A 335 -0.197 8.569 8.343 1.00 0.00 C ATOM 736 O PHE A 335 -0.240 9.764 8.053 1.00 0.00 O ATOM 737 CB PHE A 335 0.794 6.800 6.862 1.00 0.00 C ATOM 738 CG PHE A 335 0.679 5.345 6.455 1.00 0.00 C ATOM 739 CD1 PHE A 335 0.187 4.377 7.343 1.00 0.00 C ATOM 740 CD2 PHE A 335 1.178 4.926 5.218 1.00 0.00 C ATOM 741 CE1 PHE A 335 0.137 3.032 6.962 1.00 0.00 C ATOM 742 CE2 PHE A 335 1.101 3.585 4.816 1.00 0.00 C ATOM 743 CZ PHE A 335 0.536 2.636 5.679 1.00 0.00 C ATOM 0 H PHE A 335 -0.661 8.784 5.654 1.00 0.00 H new ATOM 0 HA PHE A 335 -1.190 6.798 7.785 1.00 0.00 H new ATOM 0 HB2 PHE A 335 1.212 7.357 6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 335 1.511 6.870 7.680 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -0.154 4.671 8.324 1.00 0.00 H new ATOM 0 HD2 PHE A 335 1.632 5.650 4.558 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -0.213 2.291 7.665 1.00 0.00 H new ATOM 0 HE2 PHE A 335 1.474 3.285 3.848 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.410 1.612 5.359 1.00 0.00 H new ATOM 753 N ALA A 336 0.212 8.134 9.537 1.00 0.00 N ATOM 754 CA ALA A 336 0.850 8.959 10.543 1.00 0.00 C ATOM 755 C ALA A 336 2.329 9.234 10.218 1.00 0.00 C ATOM 756 O ALA A 336 3.239 8.910 10.985 1.00 0.00 O ATOM 757 CB ALA A 336 0.759 8.279 11.895 1.00 0.00 C ATOM 0 H ALA A 336 0.100 7.164 9.832 1.00 0.00 H new ATOM 0 HA ALA A 336 0.326 9.914 10.559 1.00 0.00 H new ATOM 0 HB1 ALA A 336 1.240 8.902 12.649 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -0.288 8.133 12.159 1.00 0.00 H new ATOM 0 HB3 ALA A 336 1.260 7.312 11.850 1.00 0.00 H new ATOM 763 N THR A 337 2.583 9.777 9.039 1.00 0.00 N ATOM 764 CA THR A 337 3.646 10.708 8.670 1.00 0.00 C ATOM 765 C THR A 337 4.547 10.083 7.615 1.00 0.00 C ATOM 766 O THR A 337 4.398 8.904 7.279 1.00 0.00 O ATOM 767 CB THR A 337 4.429 11.282 9.863 1.00 0.00 C ATOM 768 OG1 THR A 337 5.259 10.370 10.516 1.00 0.00 O ATOM 769 CG2 THR A 337 3.564 12.075 10.844 1.00 0.00 C ATOM 0 H THR A 337 1.994 9.558 8.235 1.00 0.00 H new ATOM 0 HA THR A 337 3.162 11.583 8.236 1.00 0.00 H new ATOM 0 HB THR A 337 5.104 11.997 9.393 1.00 0.00 H new ATOM 0 HG1 THR A 337 4.773 9.532 10.662 1.00 0.00 H new ATOM 0 HG21 THR A 337 4.186 12.448 11.658 1.00 0.00 H new ATOM 0 HG22 THR A 337 3.103 12.915 10.325 1.00 0.00 H new ATOM 0 HG23 THR A 337 2.786 11.428 11.249 1.00 0.00 H new ATOM 777 N HIS A 338 5.514 10.854 7.110 1.00 0.00 N ATOM 778 CA HIS A 338 6.632 10.283 6.363 1.00 0.00 C ATOM 779 C HIS A 338 7.266 9.169 7.186 1.00 0.00 C ATOM 780 O HIS A 338 7.492 8.102 6.663 1.00 0.00 O ATOM 781 CB HIS A 338 7.614 11.401 5.975 1.00 0.00 C ATOM 782 CG HIS A 338 8.698 11.005 5.003 1.00 0.00 C ATOM 783 ND1 HIS A 338 8.775 11.346 3.667 1.00 0.00 N ATOM 784 CD2 HIS A 338 9.863 10.359 5.319 1.00 0.00 C ATOM 785 CE1 HIS A 338 9.952 10.906 3.192 1.00 0.00 C ATOM 786 NE2 HIS A 338 10.652 10.292 4.163 1.00 0.00 N ATOM 0 H HIS A 338 5.543 11.869 7.205 1.00 0.00 H new ATOM 0 HA HIS A 338 6.294 9.832 5.430 1.00 0.00 H new ATOM 0 HB2 HIS A 338 7.047 12.225 5.543 1.00 0.00 H new ATOM 0 HB3 HIS A 338 8.084 11.779 6.883 1.00 0.00 H new ATOM 0 HD1 HIS A 338 8.063 11.845 3.134 1.00 0.00 H new ATOM 0 HD2 HIS A 338 10.128 9.969 6.291 1.00 0.00 H new ATOM 0 HE1 HIS A 338 10.289 11.028 2.173 1.00 0.00 H new ATOM 794 N GLU A 339 7.418 9.338 8.493 1.00 0.00 N ATOM 795 CA GLU A 339 7.924 8.327 9.413 1.00 0.00 C ATOM 796 C GLU A 339 7.050 7.053 9.521 1.00 0.00 C ATOM 797 O GLU A 339 7.614 5.960 9.621 1.00 0.00 O ATOM 798 CB GLU A 339 8.243 8.966 10.772 1.00 0.00 C ATOM 799 CG GLU A 339 9.316 10.061 10.620 1.00 0.00 C ATOM 800 CD GLU A 339 9.904 10.568 11.959 1.00 0.00 C ATOM 801 OE1 GLU A 339 9.510 10.100 13.055 1.00 0.00 O ATOM 802 OE2 GLU A 339 10.789 11.459 11.920 1.00 0.00 O ATOM 0 H GLU A 339 7.184 10.215 8.959 1.00 0.00 H new ATOM 0 HA GLU A 339 8.852 7.948 8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 339 7.337 9.395 11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 339 8.592 8.201 11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 339 10.128 9.675 10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 339 8.883 10.906 10.084 1.00 0.00 H new ATOM 809 N GLU A 340 5.712 7.110 9.409 1.00 0.00 N ATOM 810 CA GLU A 340 4.905 5.893 9.288 1.00 0.00 C ATOM 811 C GLU A 340 5.069 5.204 7.921 1.00 0.00 C ATOM 812 O GLU A 340 5.315 4.002 7.825 1.00 0.00 O ATOM 813 CB GLU A 340 3.456 6.247 9.595 1.00 0.00 C ATOM 814 CG GLU A 340 2.420 5.138 9.475 1.00 0.00 C ATOM 815 CD GLU A 340 2.486 4.156 10.665 1.00 0.00 C ATOM 816 OE1 GLU A 340 3.586 3.724 11.078 1.00 0.00 O ATOM 817 OE2 GLU A 340 1.415 3.836 11.221 1.00 0.00 O ATOM 0 H GLU A 340 5.175 7.977 9.400 1.00 0.00 H new ATOM 0 HA GLU A 340 5.257 5.157 10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 340 3.414 6.638 10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 340 3.160 7.057 8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 340 1.424 5.577 9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 340 2.579 4.592 8.545 1.00 0.00 H new ATOM 824 N ALA A 341 4.983 5.978 6.843 1.00 0.00 N ATOM 825 CA ALA A 341 5.073 5.496 5.469 1.00 0.00 C ATOM 826 C ALA A 341 6.477 5.047 5.026 1.00 0.00 C ATOM 827 O ALA A 341 6.628 4.169 4.183 1.00 0.00 O ATOM 828 CB ALA A 341 4.622 6.660 4.619 1.00 0.00 C ATOM 0 H ALA A 341 4.845 6.987 6.903 1.00 0.00 H new ATOM 0 HA ALA A 341 4.462 4.599 5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 341 4.661 6.379 3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 341 3.600 6.930 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 341 5.279 7.512 4.791 1.00 0.00 H new ATOM 834 N VAL A 342 7.522 5.634 5.597 1.00 0.00 N ATOM 835 CA VAL A 342 8.930 5.288 5.372 1.00 0.00 C ATOM 836 C VAL A 342 9.314 4.039 6.148 1.00 0.00 C ATOM 837 O VAL A 342 10.167 3.261 5.721 1.00 0.00 O ATOM 838 CB VAL A 342 9.836 6.452 5.779 1.00 0.00 C ATOM 839 CG1 VAL A 342 10.109 6.569 7.265 1.00 0.00 C ATOM 840 CG2 VAL A 342 11.187 6.409 5.109 1.00 0.00 C ATOM 0 H VAL A 342 7.411 6.400 6.261 1.00 0.00 H new ATOM 0 HA VAL A 342 9.061 5.088 4.309 1.00 0.00 H new ATOM 0 HB VAL A 342 9.252 7.312 5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 342 10.760 7.424 7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 342 9.168 6.708 7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 342 10.595 5.660 7.618 1.00 0.00 H new ATOM 0 HG21 VAL A 342 11.783 7.260 5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 342 11.697 5.484 5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 342 11.058 6.452 4.027 1.00 0.00 H new ATOM 850 N ALA A 343 8.634 3.805 7.271 1.00 0.00 N ATOM 851 CA ALA A 343 8.676 2.492 7.887 1.00 0.00 C ATOM 852 C ALA A 343 7.937 1.453 7.018 1.00 0.00 C ATOM 853 O ALA A 343 8.325 0.284 7.002 1.00 0.00 O ATOM 854 CB ALA A 343 8.124 2.579 9.304 1.00 0.00 C ATOM 0 H ALA A 343 8.062 4.494 7.758 1.00 0.00 H new ATOM 0 HA ALA A 343 9.709 2.149 7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 343 8.155 1.593 9.768 1.00 0.00 H new ATOM 0 HB2 ALA A 343 8.728 3.274 9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 343 7.093 2.933 9.272 1.00 0.00 H new ATOM 860 N ALA A 344 6.942 1.877 6.221 1.00 0.00 N ATOM 861 CA ALA A 344 6.360 1.036 5.180 1.00 0.00 C ATOM 862 C ALA A 344 7.332 0.745 3.999 1.00 0.00 C ATOM 863 O ALA A 344 7.343 -0.350 3.435 1.00 0.00 O ATOM 864 CB ALA A 344 5.066 1.684 4.688 1.00 0.00 C ATOM 0 H ALA A 344 6.526 2.806 6.285 1.00 0.00 H new ATOM 0 HA ALA A 344 6.148 0.061 5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 344 4.622 1.064 3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 344 4.367 1.778 5.519 1.00 0.00 H new ATOM 0 HB3 ALA A 344 5.285 2.672 4.284 1.00 0.00 H new ATOM 870 N MET A 345 8.190 1.714 3.645 1.00 0.00 N ATOM 871 CA MET A 345 9.229 1.650 2.583 1.00 0.00 C ATOM 872 C MET A 345 10.370 0.654 2.809 1.00 0.00 C ATOM 873 O MET A 345 11.307 0.565 2.013 1.00 0.00 O ATOM 874 CB MET A 345 9.849 3.043 2.367 1.00 0.00 C ATOM 875 CG MET A 345 8.991 4.086 1.653 1.00 0.00 C ATOM 876 SD MET A 345 8.386 3.667 -0.002 1.00 0.00 S ATOM 877 CE MET A 345 7.071 2.502 0.422 1.00 0.00 C ATOM 0 H MET A 345 8.184 2.620 4.114 1.00 0.00 H new ATOM 0 HA MET A 345 8.685 1.290 1.709 1.00 0.00 H new ATOM 0 HB2 MET A 345 10.127 3.444 3.342 1.00 0.00 H new ATOM 0 HB3 MET A 345 10.771 2.918 1.799 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.128 4.303 2.283 1.00 0.00 H new ATOM 0 HG3 MET A 345 9.570 5.006 1.578 1.00 0.00 H new ATOM 0 HE1 MET A 345 6.180 2.730 -0.163 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.400 1.486 0.202 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.839 2.586 1.484 1.00 0.00 H new ATOM 887 N SER A 346 10.319 -0.103 3.891 1.00 0.00 N ATOM 888 CA SER A 346 11.478 -0.796 4.447 1.00 0.00 C ATOM 889 C SER A 346 11.747 -2.166 3.802 1.00 0.00 C ATOM 890 O SER A 346 12.758 -2.815 4.087 1.00 0.00 O ATOM 891 CB SER A 346 11.214 -0.880 5.946 1.00 0.00 C ATOM 892 OG SER A 346 10.173 -1.798 6.240 1.00 0.00 O ATOM 0 H SER A 346 9.460 -0.259 4.419 1.00 0.00 H new ATOM 0 HA SER A 346 12.397 -0.249 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 346 12.125 -1.185 6.460 1.00 0.00 H new ATOM 0 HB3 SER A 346 10.948 0.107 6.326 1.00 0.00 H new ATOM 0 HG SER A 346 9.380 -1.308 6.542 1.00 0.00 H new ATOM 898 N LYS A 347 10.812 -2.608 2.946 1.00 0.00 N ATOM 899 CA LYS A 347 10.570 -4.022 2.611 1.00 0.00 C ATOM 900 C LYS A 347 9.791 -4.290 1.320 1.00 0.00 C ATOM 901 O LYS A 347 9.576 -5.449 0.996 1.00 0.00 O ATOM 902 CB LYS A 347 9.935 -4.636 3.855 1.00 0.00 C ATOM 903 CG LYS A 347 8.584 -4.019 4.233 1.00 0.00 C ATOM 904 CD LYS A 347 7.504 -4.821 3.552 1.00 0.00 C ATOM 905 CE LYS A 347 6.239 -4.468 4.292 1.00 0.00 C ATOM 906 NZ LYS A 347 6.238 -5.035 5.668 1.00 0.00 N ATOM 0 H LYS A 347 10.184 -1.973 2.453 1.00 0.00 H new ATOM 0 HA LYS A 347 11.518 -4.499 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 347 9.802 -5.706 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 347 10.622 -4.524 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 347 8.446 -4.034 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 347 8.540 -2.976 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 347 7.428 -4.566 2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 347 7.710 -5.890 3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.136 -3.384 4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 347 5.377 -4.844 3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 5.292 -5.406 5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 6.935 -5.805 5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 6.486 -4.291 6.350 1.00 0.00 H new ATOM 920 N ASP A 348 9.406 -3.244 0.584 1.00 0.00 N ATOM 921 CA ASP A 348 8.862 -3.193 -0.781 1.00 0.00 C ATOM 922 C ASP A 348 8.104 -4.415 -1.366 1.00 0.00 C ATOM 923 O ASP A 348 6.896 -4.351 -1.581 1.00 0.00 O ATOM 924 CB ASP A 348 10.016 -2.740 -1.694 1.00 0.00 C ATOM 925 CG ASP A 348 11.290 -3.615 -1.575 1.00 0.00 C ATOM 926 OD1 ASP A 348 11.352 -4.719 -2.158 1.00 0.00 O ATOM 927 OD2 ASP A 348 12.222 -3.258 -0.819 1.00 0.00 O ATOM 0 H ASP A 348 9.475 -2.304 0.973 1.00 0.00 H new ATOM 0 HA ASP A 348 8.027 -2.495 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 348 9.674 -2.752 -2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 348 10.272 -1.708 -1.455 1.00 0.00 H new ATOM 932 N ARG A 349 8.777 -5.531 -1.654 1.00 0.00 N ATOM 933 CA ARG A 349 8.296 -6.715 -2.388 1.00 0.00 C ATOM 934 C ARG A 349 7.079 -7.470 -1.841 1.00 0.00 C ATOM 935 O ARG A 349 6.692 -8.508 -2.373 1.00 0.00 O ATOM 936 CB ARG A 349 9.459 -7.670 -2.556 1.00 0.00 C ATOM 937 CG ARG A 349 9.799 -8.327 -1.217 1.00 0.00 C ATOM 938 CD ARG A 349 11.294 -8.504 -1.185 1.00 0.00 C ATOM 939 NE ARG A 349 11.974 -7.224 -0.856 1.00 0.00 N ATOM 940 CZ ARG A 349 12.729 -6.949 0.191 1.00 0.00 C ATOM 941 NH1 ARG A 349 13.080 -7.859 1.058 1.00 0.00 N ATOM 942 NH2 ARG A 349 13.150 -5.732 0.390 1.00 0.00 N ATOM 0 H ARG A 349 9.747 -5.644 -1.360 1.00 0.00 H new ATOM 0 HA ARG A 349 7.917 -6.311 -3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 349 9.208 -8.434 -3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 349 10.328 -7.133 -2.937 1.00 0.00 H new ATOM 0 HG2 ARG A 349 9.466 -7.705 -0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 349 9.294 -9.288 -1.119 1.00 0.00 H new ATOM 0 HD2 ARG A 349 11.559 -9.261 -0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 349 11.642 -8.867 -2.152 1.00 0.00 H new ATOM 0 HE ARG A 349 11.841 -6.463 -1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 349 12.769 -8.823 0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 349 13.665 -7.606 1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 349 12.896 -4.991 -0.264 1.00 0.00 H new ATOM 0 HH22 ARG A 349 13.733 -5.520 1.199 1.00 0.00 H new ATOM 956 N ALA A 350 6.546 -7.059 -0.708 1.00 0.00 N ATOM 957 CA ALA A 350 6.248 -8.045 0.340 1.00 0.00 C ATOM 958 C ALA A 350 4.753 -8.362 0.539 1.00 0.00 C ATOM 959 O ALA A 350 4.339 -8.987 1.515 1.00 0.00 O ATOM 960 CB ALA A 350 6.962 -7.606 1.613 1.00 0.00 C ATOM 0 H ALA A 350 6.314 -6.092 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 350 6.632 -9.013 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 350 6.758 -8.321 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 350 8.036 -7.562 1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 350 6.604 -6.620 1.910 1.00 0.00 H new ATOM 966 N ASN A 351 3.958 -7.924 -0.425 1.00 0.00 N ATOM 967 CA ASN A 351 2.506 -7.993 -0.480 1.00 0.00 C ATOM 968 C ASN A 351 1.988 -9.269 -1.147 1.00 0.00 C ATOM 969 O ASN A 351 0.996 -9.852 -0.714 1.00 0.00 O ATOM 970 CB ASN A 351 2.166 -6.812 -1.391 1.00 0.00 C ATOM 971 CG ASN A 351 0.695 -6.451 -1.558 1.00 0.00 C ATOM 972 OD1 ASN A 351 0.337 -5.399 -2.056 1.00 0.00 O ATOM 973 ND2 ASN A 351 -0.245 -7.279 -1.205 1.00 0.00 N ATOM 0 H ASN A 351 4.343 -7.475 -1.256 1.00 0.00 H new ATOM 0 HA ASN A 351 2.067 -7.978 0.518 1.00 0.00 H new ATOM 0 HB2 ASN A 351 2.687 -5.933 -1.010 1.00 0.00 H new ATOM 0 HB3 ASN A 351 2.575 -7.021 -2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 351 -1.224 -7.032 -1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 351 -0.003 -8.175 -0.783 1.00 0.00 H new ATOM 980 N MET A 352 2.606 -9.602 -2.281 1.00 0.00 N ATOM 981 CA MET A 352 2.005 -10.416 -3.338 1.00 0.00 C ATOM 982 C MET A 352 3.098 -11.232 -4.031 1.00 0.00 C ATOM 983 O MET A 352 4.044 -10.665 -4.570 1.00 0.00 O ATOM 984 CB MET A 352 1.196 -9.559 -4.311 1.00 0.00 C ATOM 985 CG MET A 352 1.860 -8.876 -5.508 1.00 0.00 C ATOM 986 SD MET A 352 2.248 -9.900 -6.963 1.00 0.00 S ATOM 987 CE MET A 352 0.651 -9.860 -7.823 1.00 0.00 C ATOM 0 H MET A 352 3.559 -9.307 -2.495 1.00 0.00 H new ATOM 0 HA MET A 352 1.292 -11.114 -2.899 1.00 0.00 H new ATOM 0 HB2 MET A 352 0.401 -10.191 -4.706 1.00 0.00 H new ATOM 0 HB3 MET A 352 0.718 -8.776 -3.723 1.00 0.00 H new ATOM 0 HG2 MET A 352 1.209 -8.064 -5.834 1.00 0.00 H new ATOM 0 HG3 MET A 352 2.788 -8.421 -5.162 1.00 0.00 H new ATOM 0 HE1 MET A 352 0.718 -10.443 -8.741 1.00 0.00 H new ATOM 0 HE2 MET A 352 -0.120 -10.284 -7.179 1.00 0.00 H new ATOM 0 HE3 MET A 352 0.394 -8.829 -8.066 1.00 0.00 H new ATOM 997 N GLN A 353 3.076 -12.556 -3.945 1.00 0.00 N ATOM 998 CA GLN A 353 2.635 -13.301 -2.756 1.00 0.00 C ATOM 999 C GLN A 353 3.898 -13.528 -1.902 1.00 0.00 C ATOM 1000 O GLN A 353 4.460 -14.624 -1.863 1.00 0.00 O ATOM 1001 CB GLN A 353 1.861 -14.557 -3.200 1.00 0.00 C ATOM 1002 CG GLN A 353 0.603 -14.235 -4.038 1.00 0.00 C ATOM 1003 CD GLN A 353 -0.550 -13.550 -3.292 1.00 0.00 C ATOM 1004 OE1 GLN A 353 -0.459 -13.131 -2.147 1.00 0.00 O ATOM 1005 NE2 GLN A 353 -1.700 -13.399 -3.917 1.00 0.00 N ATOM 0 H GLN A 353 3.369 -13.161 -4.712 1.00 0.00 H new ATOM 0 HA GLN A 353 1.919 -12.772 -2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 353 2.524 -15.197 -3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 353 1.566 -15.124 -2.317 1.00 0.00 H new ATOM 0 HG2 GLN A 353 0.900 -13.597 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 353 0.229 -15.165 -4.467 1.00 0.00 H new ATOM 0 HE21 GLN A 353 -1.809 -13.737 -4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 353 -2.481 -12.944 -3.445 1.00 0.00 H new ATOM 1014 N HIS A 354 4.418 -12.408 -1.371 1.00 0.00 N ATOM 1015 CA HIS A 354 5.850 -12.062 -1.280 1.00 0.00 C ATOM 1016 C HIS A 354 6.593 -12.265 -2.622 1.00 0.00 C ATOM 1017 O HIS A 354 6.885 -13.405 -2.996 1.00 0.00 O ATOM 1018 CB HIS A 354 6.508 -12.786 -0.098 1.00 0.00 C ATOM 1019 CG HIS A 354 7.950 -12.389 0.085 1.00 0.00 C ATOM 1020 ND1 HIS A 354 9.047 -13.034 -0.440 1.00 0.00 N ATOM 1021 CD2 HIS A 354 8.411 -11.286 0.750 1.00 0.00 C ATOM 1022 CE1 HIS A 354 10.147 -12.349 -0.087 1.00 0.00 C ATOM 1023 NE2 HIS A 354 9.810 -11.272 0.647 1.00 0.00 N ATOM 0 H HIS A 354 3.822 -11.682 -0.973 1.00 0.00 H new ATOM 0 HA HIS A 354 5.928 -10.994 -1.078 1.00 0.00 H new ATOM 0 HB2 HIS A 354 5.954 -12.565 0.814 1.00 0.00 H new ATOM 0 HB3 HIS A 354 6.447 -13.863 -0.255 1.00 0.00 H new ATOM 0 HD2 HIS A 354 7.805 -10.555 1.264 1.00 0.00 H new ATOM 0 HE1 HIS A 354 11.157 -12.623 -0.354 1.00 0.00 H new ATOM 0 HE2 HIS A 354 10.446 -10.583 1.049 1.00 0.00 H new ATOM 1031 N ARG A 355 6.850 -11.171 -3.367 1.00 0.00 N ATOM 1032 CA ARG A 355 7.363 -11.178 -4.770 1.00 0.00 C ATOM 1033 C ARG A 355 7.494 -9.809 -5.469 1.00 0.00 C ATOM 1034 O ARG A 355 8.531 -9.643 -6.110 1.00 0.00 O ATOM 1035 CB ARG A 355 6.567 -12.151 -5.679 1.00 0.00 C ATOM 1036 CG ARG A 355 7.411 -13.356 -6.143 1.00 0.00 C ATOM 1037 CD ARG A 355 6.554 -14.603 -6.398 1.00 0.00 C ATOM 1038 NE ARG A 355 6.036 -15.156 -5.129 1.00 0.00 N ATOM 1039 CZ ARG A 355 5.451 -16.323 -4.939 1.00 0.00 C ATOM 1040 NH1 ARG A 355 5.249 -17.170 -5.910 1.00 0.00 N ATOM 1041 NH2 ARG A 355 5.051 -16.664 -3.749 1.00 0.00 N ATOM 0 H ARG A 355 6.705 -10.227 -3.008 1.00 0.00 H new ATOM 0 HA ARG A 355 8.386 -11.529 -4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 355 5.692 -12.512 -5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 355 6.202 -11.610 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 355 7.946 -13.092 -7.056 1.00 0.00 H new ATOM 0 HG3 ARG A 355 8.163 -13.583 -5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 355 5.722 -14.349 -7.055 1.00 0.00 H new ATOM 0 HD3 ARG A 355 7.148 -15.358 -6.913 1.00 0.00 H new ATOM 0 HE ARG A 355 6.143 -14.566 -4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 355 5.547 -16.940 -6.858 1.00 0.00 H new ATOM 0 HH12 ARG A 355 4.793 -18.063 -5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 355 5.190 -16.029 -2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 355 4.599 -17.566 -3.602 1.00 0.00 H new ATOM 1055 N TYR A 356 6.527 -8.873 -5.331 1.00 0.00 N ATOM 1056 CA TYR A 356 6.642 -7.380 -5.447 1.00 0.00 C ATOM 1057 C TYR A 356 5.439 -6.552 -5.951 1.00 0.00 C ATOM 1058 O TYR A 356 4.610 -7.001 -6.741 1.00 0.00 O ATOM 1059 CB TYR A 356 7.964 -6.907 -6.114 1.00 0.00 C ATOM 1060 CG TYR A 356 8.214 -5.418 -6.329 1.00 0.00 C ATOM 1061 CD1 TYR A 356 7.745 -4.801 -7.507 1.00 0.00 C ATOM 1062 CD2 TYR A 356 8.965 -4.667 -5.399 1.00 0.00 C ATOM 1063 CE1 TYR A 356 8.070 -3.463 -7.789 1.00 0.00 C ATOM 1064 CE2 TYR A 356 9.309 -3.331 -5.690 1.00 0.00 C ATOM 1065 CZ TYR A 356 8.866 -2.725 -6.888 1.00 0.00 C ATOM 1066 OH TYR A 356 9.184 -1.431 -7.160 1.00 0.00 O ATOM 0 H TYR A 356 5.569 -9.151 -5.119 1.00 0.00 H new ATOM 0 HA TYR A 356 6.649 -7.139 -4.384 1.00 0.00 H new ATOM 0 HB2 TYR A 356 8.787 -7.291 -5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 356 8.028 -7.391 -7.088 1.00 0.00 H new ATOM 0 HD1 TYR A 356 7.132 -5.361 -8.198 1.00 0.00 H new ATOM 0 HD2 TYR A 356 9.275 -5.115 -4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 356 7.710 -3.000 -8.696 1.00 0.00 H new ATOM 0 HE2 TYR A 356 9.914 -2.768 -4.995 1.00 0.00 H new ATOM 0 HH TYR A 356 8.524 -1.055 -7.780 1.00 0.00 H new ATOM 1076 N ILE A 357 5.431 -5.290 -5.485 1.00 0.00 N ATOM 1077 CA ILE A 357 4.552 -4.150 -5.795 1.00 0.00 C ATOM 1078 C ILE A 357 5.404 -2.879 -5.898 1.00 0.00 C ATOM 1079 O ILE A 357 6.344 -2.704 -5.120 1.00 0.00 O ATOM 1080 CB ILE A 357 3.597 -3.865 -4.622 1.00 0.00 C ATOM 1081 CG1 ILE A 357 2.866 -5.088 -4.080 1.00 0.00 C ATOM 1082 CG2 ILE A 357 2.587 -2.752 -4.960 1.00 0.00 C ATOM 1083 CD1 ILE A 357 1.784 -5.639 -4.996 1.00 0.00 C ATOM 0 H ILE A 357 6.129 -5.012 -4.795 1.00 0.00 H new ATOM 0 HA ILE A 357 4.014 -4.393 -6.711 1.00 0.00 H new ATOM 0 HB ILE A 357 4.255 -3.526 -3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 357 3.595 -5.875 -3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 357 2.415 -4.830 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 357 1.932 -2.583 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 357 3.124 -1.832 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 357 1.989 -3.052 -5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 357 1.319 -6.507 -4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 357 1.029 -4.872 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 357 2.228 -5.933 -5.947 1.00 0.00 H new ATOM 1095 N GLU A 358 5.006 -1.930 -6.742 1.00 0.00 N ATOM 1096 CA GLU A 358 5.516 -0.555 -6.719 1.00 0.00 C ATOM 1097 C GLU A 358 5.102 0.221 -5.457 1.00 0.00 C ATOM 1098 O GLU A 358 4.162 1.016 -5.489 1.00 0.00 O ATOM 1099 CB GLU A 358 5.074 0.199 -8.002 1.00 0.00 C ATOM 1100 CG GLU A 358 5.216 -0.515 -9.362 1.00 0.00 C ATOM 1101 CD GLU A 358 6.640 -0.532 -9.956 1.00 0.00 C ATOM 1102 OE1 GLU A 358 7.642 -0.438 -9.208 1.00 0.00 O ATOM 1103 OE2 GLU A 358 6.762 -0.659 -11.200 1.00 0.00 O ATOM 0 H GLU A 358 4.312 -2.093 -7.471 1.00 0.00 H new ATOM 0 HA GLU A 358 6.604 -0.619 -6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 358 4.026 0.474 -7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 358 5.644 1.127 -8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 358 4.875 -1.544 -9.250 1.00 0.00 H new ATOM 0 HG3 GLU A 358 4.548 -0.034 -10.077 1.00 0.00 H new ATOM 1110 N LEU A 359 5.798 -0.014 -4.338 1.00 0.00 N ATOM 1111 CA LEU A 359 5.628 0.711 -3.081 1.00 0.00 C ATOM 1112 C LEU A 359 6.514 1.965 -3.006 1.00 0.00 C ATOM 1113 O LEU A 359 7.738 1.843 -2.925 1.00 0.00 O ATOM 1114 CB LEU A 359 5.969 -0.250 -1.931 1.00 0.00 C ATOM 1115 CG LEU A 359 5.035 -1.457 -1.691 1.00 0.00 C ATOM 1116 CD1 LEU A 359 5.224 -1.908 -0.266 1.00 0.00 C ATOM 1117 CD2 LEU A 359 3.593 -1.127 -2.057 1.00 0.00 C ATOM 0 H LEU A 359 6.516 -0.737 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 359 4.596 1.056 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 359 6.974 -0.635 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 359 6.006 0.332 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 359 5.293 -2.289 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 359 4.576 -2.761 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.263 -2.197 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 359 4.969 -1.092 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 359 2.963 -1.998 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 359 3.244 -0.294 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.539 -0.853 -3.111 1.00 0.00 H new ATOM 1129 N PHE A 360 5.901 3.159 -3.005 1.00 0.00 N ATOM 1130 CA PHE A 360 6.627 4.437 -3.089 1.00 0.00 C ATOM 1131 C PHE A 360 5.964 5.616 -2.366 1.00 0.00 C ATOM 1132 O PHE A 360 4.798 5.953 -2.596 1.00 0.00 O ATOM 1133 CB PHE A 360 6.811 4.801 -4.567 1.00 0.00 C ATOM 1134 CG PHE A 360 7.803 3.905 -5.269 1.00 0.00 C ATOM 1135 CD1 PHE A 360 9.182 4.099 -5.066 1.00 0.00 C ATOM 1136 CD2 PHE A 360 7.346 2.809 -6.025 1.00 0.00 C ATOM 1137 CE1 PHE A 360 10.107 3.191 -5.609 1.00 0.00 C ATOM 1138 CE2 PHE A 360 8.277 1.916 -6.580 1.00 0.00 C ATOM 1139 CZ PHE A 360 9.654 2.102 -6.374 1.00 0.00 C ATOM 0 H PHE A 360 4.888 3.266 -2.946 1.00 0.00 H new ATOM 0 HA PHE A 360 7.575 4.275 -2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 360 5.849 4.738 -5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.145 5.836 -4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.529 4.946 -4.493 1.00 0.00 H new ATOM 0 HD2 PHE A 360 6.288 2.656 -6.177 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.164 3.330 -5.439 1.00 0.00 H new ATOM 0 HE2 PHE A 360 7.932 1.080 -7.170 1.00 0.00 H new ATOM 0 HZ PHE A 360 10.363 1.410 -6.803 1.00 0.00 H new ATOM 1149 N LEU A 361 6.762 6.305 -1.542 1.00 0.00 N ATOM 1150 CA LEU A 361 6.440 7.625 -0.993 1.00 0.00 C ATOM 1151 C LEU A 361 6.263 8.677 -2.086 1.00 0.00 C ATOM 1152 O LEU A 361 6.766 8.571 -3.208 1.00 0.00 O ATOM 1153 CB LEU A 361 7.568 8.126 -0.071 1.00 0.00 C ATOM 1154 CG LEU A 361 7.772 7.321 1.200 1.00 0.00 C ATOM 1155 CD1 LEU A 361 9.168 7.516 1.791 1.00 0.00 C ATOM 1156 CD2 LEU A 361 6.786 7.753 2.261 1.00 0.00 C ATOM 0 H LEU A 361 7.668 5.952 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 361 5.507 7.499 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 361 8.501 8.128 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.359 9.160 0.203 1.00 0.00 H new ATOM 0 HG LEU A 361 7.632 6.277 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.265 6.920 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.918 7.198 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.318 8.569 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 361 6.945 7.167 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 361 6.931 8.810 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.770 7.594 1.900 1.00 0.00 H new ATOM 1168 N ASN A 362 5.581 9.740 -1.681 1.00 0.00 N ATOM 1169 CA ASN A 362 5.266 10.908 -2.495 1.00 0.00 C ATOM 1170 C ASN A 362 5.070 12.179 -1.635 1.00 0.00 C ATOM 1171 O ASN A 362 4.646 13.214 -2.151 1.00 0.00 O ATOM 1172 CB ASN A 362 4.018 10.516 -3.300 1.00 0.00 C ATOM 1173 CG ASN A 362 2.831 10.209 -2.405 1.00 0.00 C ATOM 1174 OD1 ASN A 362 2.303 11.068 -1.717 1.00 0.00 O ATOM 1175 ND2 ASN A 362 2.430 8.961 -2.343 1.00 0.00 N ATOM 0 H ASN A 362 5.215 9.816 -0.732 1.00 0.00 H new ATOM 0 HA ASN A 362 6.085 11.174 -3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.758 11.327 -3.981 1.00 0.00 H new ATOM 0 HB3 ASN A 362 4.243 9.644 -3.914 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.670 8.700 -1.715 1.00 0.00 H new ATOM 0 HD22 ASN A 362 2.879 8.252 -2.923 1.00 0.00 H new ATOM 1182 N SER A 363 5.347 12.088 -0.322 1.00 0.00 N ATOM 1183 CA SER A 363 4.811 13.024 0.687 1.00 0.00 C ATOM 1184 C SER A 363 5.813 13.397 1.800 1.00 0.00 C ATOM 1185 O SER A 363 6.943 12.902 1.845 1.00 0.00 O ATOM 1186 CB SER A 363 3.539 12.390 1.285 1.00 0.00 C ATOM 1187 OG SER A 363 2.384 12.703 0.532 1.00 0.00 O ATOM 0 H SER A 363 5.949 11.364 0.071 1.00 0.00 H new ATOM 0 HA SER A 363 4.591 13.967 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 363 3.660 11.308 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 363 3.408 12.738 2.310 1.00 0.00 H new ATOM 0 HG SER A 363 2.348 12.133 -0.264 1.00 0.00 H new ATOM 1193 N THR A 364 5.363 14.229 2.750 1.00 0.00 N ATOM 1194 CA THR A 364 6.145 14.803 3.869 1.00 0.00 C ATOM 1195 C THR A 364 5.443 14.547 5.216 1.00 0.00 C ATOM 1196 O THR A 364 4.249 14.245 5.262 1.00 0.00 O ATOM 1197 CB THR A 364 6.344 16.318 3.619 1.00 0.00 C ATOM 1198 OG1 THR A 364 6.964 16.514 2.363 1.00 0.00 O ATOM 1199 CG2 THR A 364 7.230 17.031 4.647 1.00 0.00 C ATOM 0 H THR A 364 4.392 14.540 2.765 1.00 0.00 H new ATOM 0 HA THR A 364 7.120 14.319 3.918 1.00 0.00 H new ATOM 0 HB THR A 364 5.342 16.741 3.682 1.00 0.00 H new ATOM 0 HG1 THR A 364 7.088 17.473 2.205 1.00 0.00 H new ATOM 0 HG21 THR A 364 7.310 18.087 4.388 1.00 0.00 H new ATOM 0 HG22 THR A 364 6.788 16.933 5.639 1.00 0.00 H new ATOM 0 HG23 THR A 364 8.223 16.581 4.646 1.00 0.00 H new ATOM 1207 N THR A 365 6.175 14.620 6.333 1.00 0.00 N ATOM 1208 CA THR A 365 5.661 14.555 7.721 1.00 0.00 C ATOM 1209 C THR A 365 4.914 15.842 8.127 1.00 0.00 C ATOM 1210 O THR A 365 5.364 16.624 8.966 1.00 0.00 O ATOM 1211 CB THR A 365 6.786 14.124 8.692 1.00 0.00 C ATOM 1212 OG1 THR A 365 6.351 14.101 10.031 1.00 0.00 O ATOM 1213 CG2 THR A 365 8.092 14.917 8.596 1.00 0.00 C ATOM 0 H THR A 365 7.188 14.731 6.301 1.00 0.00 H new ATOM 0 HA THR A 365 4.898 13.779 7.781 1.00 0.00 H new ATOM 0 HB THR A 365 7.023 13.115 8.355 1.00 0.00 H new ATOM 0 HG1 THR A 365 7.091 13.823 10.610 1.00 0.00 H new ATOM 0 HG21 THR A 365 8.807 14.529 9.321 1.00 0.00 H new ATOM 0 HG22 THR A 365 8.504 14.819 7.592 1.00 0.00 H new ATOM 0 HG23 THR A 365 7.896 15.968 8.807 1.00 0.00 H new ATOM 1221 N GLY A 366 3.753 16.070 7.502 1.00 0.00 N ATOM 1222 CA GLY A 366 2.841 17.187 7.789 1.00 0.00 C ATOM 1223 C GLY A 366 1.354 16.877 7.533 1.00 0.00 C ATOM 1224 O GLY A 366 0.727 17.552 6.717 1.00 0.00 O ATOM 0 H GLY A 366 3.410 15.463 6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 366 2.964 17.482 8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 366 3.131 18.043 7.179 1.00 0.00 H new ATOM 1228 N ALA A 367 0.738 15.862 8.154 1.00 0.00 N ATOM 1229 CA ALA A 367 1.266 14.923 9.158 1.00 0.00 C ATOM 1230 C ALA A 367 0.652 13.523 8.956 1.00 0.00 C ATOM 1231 O ALA A 367 -0.189 13.087 9.775 1.00 0.00 O ATOM 1232 CB ALA A 367 1.027 15.517 10.558 1.00 0.00 C ATOM 0 H ALA A 367 -0.239 15.656 7.946 1.00 0.00 H new ATOM 0 HA ALA A 367 2.341 14.787 9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 367 1.413 14.833 11.314 1.00 0.00 H new ATOM 0 HB2 ALA A 367 1.541 16.475 10.639 1.00 0.00 H new ATOM 0 HB3 ALA A 367 -0.042 15.664 10.713 1.00 0.00 H new TER 1238 ALA A 367