USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=21 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 299 LYS NZ :NH3+ 159:sc= 0.66 (180deg=0.465) USER MOD Set 1.2: A 353 GLN : amide:sc= -0.212 K(o=0.45,f=-0.34) USER MOD Set 2.1: A 310 SER OG : rot 68:sc= 2 USER MOD Set 2.2: A 347 LYS NZ :NH3+ -128:sc= 0.746 (180deg=-4.33!) USER MOD Set 3.1: A 290 CYS SG : rot 59:sc= 0.654 USER MOD Set 3.2: A 362 ASN : amide:sc= 1.23 K(o=2.8,f=1.9) USER MOD Set 3.3: A 363 SER OG : rot 72:sc= 0.876 USER MOD Single : A 287 THR OG1 : rot -11:sc= 0.521 USER MOD Single : A 289 HIS : no HE2:sc= -4.42 K(o=-4.4,f=-8.4!) USER MOD Single : A 292 HIS : no HE2:sc= 0.0508 K(o=0.051,f=-5.7!) USER MOD Single : A 293 MET CE :methyl 160:sc= -2.48 (180deg=-4.43!) USER MOD Single : A 298 TYR OH : rot 180:sc= 0 USER MOD Single : A 301 THR OG1 : rot 180:sc= 0 USER MOD Single : A 303 ASN : amide:sc= 1.17 K(o=1.2,f=-0.014) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.772 K(o=0.77,f=0) USER MOD Single : A 313 ASN : amide:sc= 0.516 K(o=0.52,f=0) USER MOD Single : A 318 HIS : no HE2:sc= -0.549 K(o=-0.55,f=-3.8!) USER MOD Single : A 328 THR OG1 : rot -43:sc= 0.5 USER MOD Single : A 337 THR OG1 : rot -41:sc= 1.13 USER MOD Single : A 338 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 345 MET CE :methyl 140:sc= -0.844 (180deg=-5.19!) USER MOD Single : A 346 SER OG : rot -120:sc= 0.762 USER MOD Single : A 351 ASN : amide:sc= 0.241 K(o=0.24,f=-3.2) USER MOD Single : A 352 MET CE :methyl 176:sc= 0 (180deg=-0.0106) USER MOD Single : A 354 HIS : no HD1:sc= -0.07 X(o=-0.07,f=0) USER MOD Single : A 356 TYR OH : rot -151:sc= 1.23 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 1 N THR A 287 -2.516 12.021 8.347 1.00 0.00 N ATOM 2 CA THR A 287 -3.355 12.671 7.317 1.00 0.00 C ATOM 3 C THR A 287 -2.650 13.922 6.840 1.00 0.00 C ATOM 4 O THR A 287 -2.445 14.876 7.593 1.00 0.00 O ATOM 5 CB THR A 287 -4.777 13.004 7.785 1.00 0.00 C ATOM 6 OG1 THR A 287 -4.802 13.144 9.189 1.00 0.00 O ATOM 7 CG2 THR A 287 -5.795 11.922 7.413 1.00 0.00 C ATOM 0 HA THR A 287 -3.480 11.955 6.504 1.00 0.00 H new ATOM 0 HB THR A 287 -5.052 13.931 7.282 1.00 0.00 H new ATOM 0 HG1 THR A 287 -3.955 12.825 9.565 1.00 0.00 H new ATOM 0 HG21 THR A 287 -6.783 12.213 7.770 1.00 0.00 H new ATOM 0 HG22 THR A 287 -5.821 11.804 6.330 1.00 0.00 H new ATOM 0 HG23 THR A 287 -5.507 10.977 7.874 1.00 0.00 H new ATOM 15 N GLY A 288 -2.187 13.865 5.596 1.00 0.00 N ATOM 16 CA GLY A 288 -1.118 14.706 5.060 1.00 0.00 C ATOM 17 C GLY A 288 -0.138 13.854 4.272 1.00 0.00 C ATOM 18 O GLY A 288 0.053 14.060 3.072 1.00 0.00 O ATOM 0 H GLY A 288 -2.557 13.210 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 288 -1.539 15.480 4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 288 -0.600 15.214 5.874 1.00 0.00 H new ATOM 22 N HIS A 289 0.415 12.837 4.936 1.00 0.00 N ATOM 23 CA HIS A 289 1.130 11.759 4.278 1.00 0.00 C ATOM 24 C HIS A 289 0.203 10.841 3.493 1.00 0.00 C ATOM 25 O HIS A 289 -0.782 10.379 4.063 1.00 0.00 O ATOM 26 CB HIS A 289 1.899 10.885 5.286 1.00 0.00 C ATOM 27 CG HIS A 289 3.307 10.811 4.812 1.00 0.00 C ATOM 28 ND1 HIS A 289 4.182 11.864 4.798 1.00 0.00 N ATOM 29 CD2 HIS A 289 3.827 9.827 4.024 1.00 0.00 C ATOM 30 CE1 HIS A 289 5.235 11.509 4.049 1.00 0.00 C ATOM 31 NE2 HIS A 289 5.061 10.278 3.550 1.00 0.00 N ATOM 0 H HIS A 289 0.375 12.744 5.951 1.00 0.00 H new ATOM 0 HA HIS A 289 1.823 12.251 3.596 1.00 0.00 H new ATOM 0 HB2 HIS A 289 1.851 11.316 6.286 1.00 0.00 H new ATOM 0 HB3 HIS A 289 1.460 9.889 5.347 1.00 0.00 H new ATOM 0 HD1 HIS A 289 4.055 12.758 5.272 1.00 0.00 H new ATOM 0 HD2 HIS A 289 3.369 8.874 3.806 1.00 0.00 H new ATOM 0 HE1 HIS A 289 6.102 12.128 3.872 1.00 0.00 H new ATOM 39 N CYS A 290 0.606 10.427 2.290 1.00 0.00 N ATOM 40 CA CYS A 290 0.150 9.186 1.660 1.00 0.00 C ATOM 41 C CYS A 290 1.277 8.401 0.971 1.00 0.00 C ATOM 42 O CYS A 290 2.360 8.940 0.725 1.00 0.00 O ATOM 43 CB CYS A 290 -1.029 9.418 0.693 1.00 0.00 C ATOM 44 SG CYS A 290 -0.862 10.921 -0.316 1.00 0.00 S ATOM 0 H CYS A 290 1.268 10.952 1.718 1.00 0.00 H new ATOM 0 HA CYS A 290 -0.207 8.566 2.482 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.120 8.556 0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.953 9.478 1.268 1.00 0.00 H new ATOM 0 HG CYS A 290 0.235 10.857 -1.011 1.00 0.00 H new ATOM 50 N VAL A 291 1.024 7.117 0.671 1.00 0.00 N ATOM 51 CA VAL A 291 2.001 6.230 0.011 1.00 0.00 C ATOM 52 C VAL A 291 1.336 5.373 -1.046 1.00 0.00 C ATOM 53 O VAL A 291 0.312 4.739 -0.790 1.00 0.00 O ATOM 54 CB VAL A 291 2.710 5.294 1.001 1.00 0.00 C ATOM 55 CG1 VAL A 291 3.982 4.661 0.425 1.00 0.00 C ATOM 56 CG2 VAL A 291 3.150 6.052 2.237 1.00 0.00 C ATOM 0 H VAL A 291 0.135 6.662 0.879 1.00 0.00 H new ATOM 0 HA VAL A 291 2.738 6.892 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 291 1.978 4.519 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 291 4.436 4.011 1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.729 4.076 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.687 5.446 0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 291 3.650 5.369 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 291 3.839 6.847 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 291 2.279 6.486 2.727 1.00 0.00 H new ATOM 66 N HIS A 292 1.950 5.353 -2.224 1.00 0.00 N ATOM 67 CA HIS A 292 1.368 4.827 -3.447 1.00 0.00 C ATOM 68 C HIS A 292 1.765 3.362 -3.662 1.00 0.00 C ATOM 69 O HIS A 292 2.822 2.908 -3.208 1.00 0.00 O ATOM 70 CB HIS A 292 1.812 5.738 -4.600 1.00 0.00 C ATOM 71 CG HIS A 292 1.185 5.469 -5.938 1.00 0.00 C ATOM 72 ND1 HIS A 292 0.005 4.815 -6.194 1.00 0.00 N ATOM 73 CD2 HIS A 292 1.702 5.858 -7.141 1.00 0.00 C ATOM 74 CE1 HIS A 292 -0.136 4.724 -7.519 1.00 0.00 C ATOM 75 NE2 HIS A 292 0.863 5.370 -8.149 1.00 0.00 N ATOM 0 H HIS A 292 2.895 5.714 -2.355 1.00 0.00 H new ATOM 0 HA HIS A 292 0.279 4.827 -3.390 1.00 0.00 H new ATOM 0 HB2 HIS A 292 1.598 6.770 -4.323 1.00 0.00 H new ATOM 0 HB3 HIS A 292 2.894 5.654 -4.706 1.00 0.00 H new ATOM 0 HD1 HIS A 292 -0.649 4.461 -5.495 1.00 0.00 H new ATOM 0 HD2 HIS A 292 2.600 6.440 -7.288 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -0.941 4.204 -8.017 1.00 0.00 H new ATOM 83 N MET A 293 0.890 2.632 -4.352 1.00 0.00 N ATOM 84 CA MET A 293 0.964 1.200 -4.613 1.00 0.00 C ATOM 85 C MET A 293 0.462 0.918 -6.025 1.00 0.00 C ATOM 86 O MET A 293 -0.654 1.322 -6.365 1.00 0.00 O ATOM 87 CB MET A 293 0.094 0.411 -3.617 1.00 0.00 C ATOM 88 CG MET A 293 -0.133 1.121 -2.284 1.00 0.00 C ATOM 89 SD MET A 293 -1.052 0.137 -1.095 1.00 0.00 S ATOM 90 CE MET A 293 0.217 -1.092 -0.721 1.00 0.00 C ATOM 0 H MET A 293 0.060 3.053 -4.768 1.00 0.00 H new ATOM 0 HA MET A 293 2.002 0.887 -4.503 1.00 0.00 H new ATOM 0 HB2 MET A 293 -0.873 0.209 -4.077 1.00 0.00 H new ATOM 0 HB3 MET A 293 0.564 -0.554 -3.426 1.00 0.00 H new ATOM 0 HG2 MET A 293 0.833 1.387 -1.854 1.00 0.00 H new ATOM 0 HG3 MET A 293 -0.669 2.053 -2.464 1.00 0.00 H new ATOM 0 HE1 MET A 293 -0.010 -1.572 0.231 1.00 0.00 H new ATOM 0 HE2 MET A 293 0.239 -1.844 -1.510 1.00 0.00 H new ATOM 0 HE3 MET A 293 1.189 -0.603 -0.658 1.00 0.00 H new ATOM 100 N ARG A 294 1.244 0.195 -6.833 1.00 0.00 N ATOM 101 CA ARG A 294 0.787 -0.289 -8.150 1.00 0.00 C ATOM 102 C ARG A 294 1.176 -1.743 -8.405 1.00 0.00 C ATOM 103 O ARG A 294 2.336 -2.125 -8.238 1.00 0.00 O ATOM 104 CB ARG A 294 1.267 0.635 -9.285 1.00 0.00 C ATOM 105 CG ARG A 294 0.725 2.057 -9.154 1.00 0.00 C ATOM 106 CD ARG A 294 1.131 2.928 -10.357 1.00 0.00 C ATOM 107 NE ARG A 294 0.021 3.808 -10.765 1.00 0.00 N ATOM 108 CZ ARG A 294 -1.024 3.446 -11.488 1.00 0.00 C ATOM 109 NH1 ARG A 294 -1.069 2.326 -12.144 1.00 0.00 N ATOM 110 NH2 ARG A 294 -2.095 4.176 -11.559 1.00 0.00 N ATOM 0 H ARG A 294 2.201 -0.071 -6.601 1.00 0.00 H new ATOM 0 HA ARG A 294 -0.302 -0.258 -8.136 1.00 0.00 H new ATOM 0 HB2 ARG A 294 2.357 0.664 -9.288 1.00 0.00 H new ATOM 0 HB3 ARG A 294 0.956 0.219 -10.243 1.00 0.00 H new ATOM 0 HG2 ARG A 294 -0.362 2.028 -9.075 1.00 0.00 H new ATOM 0 HG3 ARG A 294 1.099 2.507 -8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 294 2.002 3.530 -10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 294 1.421 2.290 -11.192 1.00 0.00 H new ATOM 0 HE ARG A 294 0.063 4.781 -10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 294 -0.276 1.685 -12.114 1.00 0.00 H new ATOM 0 HH12 ARG A 294 -1.897 2.087 -12.690 1.00 0.00 H new ATOM 0 HH21 ARG A 294 -2.146 5.057 -11.048 1.00 0.00 H new ATOM 0 HH22 ARG A 294 -2.885 3.869 -12.126 1.00 0.00 H new ATOM 124 N GLY A 295 0.180 -2.541 -8.786 1.00 0.00 N ATOM 125 CA GLY A 295 0.291 -3.966 -9.110 1.00 0.00 C ATOM 126 C GLY A 295 -0.560 -4.871 -8.211 1.00 0.00 C ATOM 127 O GLY A 295 -0.343 -6.085 -8.221 1.00 0.00 O ATOM 0 H GLY A 295 -0.775 -2.196 -8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 295 -0.005 -4.118 -10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 295 1.335 -4.268 -9.030 1.00 0.00 H new ATOM 131 N LEU A 296 -1.466 -4.310 -7.392 1.00 0.00 N ATOM 132 CA LEU A 296 -2.182 -5.064 -6.354 1.00 0.00 C ATOM 133 C LEU A 296 -2.945 -6.282 -6.924 1.00 0.00 C ATOM 134 O LEU A 296 -3.542 -6.177 -7.999 1.00 0.00 O ATOM 135 CB LEU A 296 -3.187 -4.191 -5.592 1.00 0.00 C ATOM 136 CG LEU A 296 -2.722 -2.926 -4.861 1.00 0.00 C ATOM 137 CD1 LEU A 296 -3.954 -2.366 -4.150 1.00 0.00 C ATOM 138 CD2 LEU A 296 -1.649 -3.218 -3.814 1.00 0.00 C ATOM 0 H LEU A 296 -1.721 -3.323 -7.432 1.00 0.00 H new ATOM 0 HA LEU A 296 -1.404 -5.411 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 296 -3.954 -3.887 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 296 -3.672 -4.829 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 296 -2.288 -2.232 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -3.682 -1.459 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 296 -4.724 -2.133 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 296 -4.336 -3.106 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 296 -1.355 -2.289 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 296 -2.045 -3.909 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 296 -0.780 -3.665 -4.298 1.00 0.00 H new ATOM 150 N PRO A 297 -2.984 -7.417 -6.207 1.00 0.00 N ATOM 151 CA PRO A 297 -3.627 -8.647 -6.681 1.00 0.00 C ATOM 152 C PRO A 297 -5.158 -8.634 -6.523 1.00 0.00 C ATOM 153 O PRO A 297 -5.746 -7.742 -5.913 1.00 0.00 O ATOM 154 CB PRO A 297 -3.002 -9.753 -5.822 1.00 0.00 C ATOM 155 CG PRO A 297 -2.828 -9.024 -4.494 1.00 0.00 C ATOM 156 CD PRO A 297 -2.338 -7.652 -4.919 1.00 0.00 C ATOM 0 HA PRO A 297 -3.466 -8.784 -7.750 1.00 0.00 H new ATOM 0 HB2 PRO A 297 -3.652 -10.623 -5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 297 -2.053 -10.104 -6.228 1.00 0.00 H new ATOM 0 HG2 PRO A 297 -3.765 -8.964 -3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 297 -2.108 -9.527 -3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 297 -2.614 -6.889 -4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 297 -1.252 -7.629 -5.009 1.00 0.00 H new ATOM 164 N TYR A 298 -5.808 -9.698 -6.998 1.00 0.00 N ATOM 165 CA TYR A 298 -7.255 -9.950 -6.887 1.00 0.00 C ATOM 166 C TYR A 298 -7.791 -10.087 -5.441 1.00 0.00 C ATOM 167 O TYR A 298 -8.997 -9.953 -5.212 1.00 0.00 O ATOM 168 CB TYR A 298 -7.648 -11.183 -7.735 1.00 0.00 C ATOM 169 CG TYR A 298 -6.488 -11.998 -8.279 1.00 0.00 C ATOM 170 CD1 TYR A 298 -5.883 -11.618 -9.494 1.00 0.00 C ATOM 171 CD2 TYR A 298 -5.961 -13.067 -7.530 1.00 0.00 C ATOM 172 CE1 TYR A 298 -4.743 -12.304 -9.956 1.00 0.00 C ATOM 173 CE2 TYR A 298 -4.826 -13.758 -7.993 1.00 0.00 C ATOM 174 CZ TYR A 298 -4.210 -13.377 -9.207 1.00 0.00 C ATOM 175 OH TYR A 298 -3.102 -14.027 -9.654 1.00 0.00 O ATOM 0 H TYR A 298 -5.322 -10.445 -7.494 1.00 0.00 H new ATOM 0 HA TYR A 298 -7.735 -9.053 -7.277 1.00 0.00 H new ATOM 0 HB2 TYR A 298 -8.275 -11.836 -7.127 1.00 0.00 H new ATOM 0 HB3 TYR A 298 -8.258 -10.846 -8.573 1.00 0.00 H new ATOM 0 HD1 TYR A 298 -6.293 -10.802 -10.070 1.00 0.00 H new ATOM 0 HD2 TYR A 298 -6.428 -13.357 -6.600 1.00 0.00 H new ATOM 0 HE1 TYR A 298 -4.276 -12.009 -10.884 1.00 0.00 H new ATOM 0 HE2 TYR A 298 -4.425 -14.581 -7.420 1.00 0.00 H new ATOM 0 HH TYR A 298 -2.863 -14.738 -9.024 1.00 0.00 H new ATOM 185 N LYS A 299 -6.920 -10.326 -4.448 1.00 0.00 N ATOM 186 CA LYS A 299 -7.272 -10.363 -3.011 1.00 0.00 C ATOM 187 C LYS A 299 -6.966 -9.062 -2.251 1.00 0.00 C ATOM 188 O LYS A 299 -7.054 -9.046 -1.024 1.00 0.00 O ATOM 189 CB LYS A 299 -6.730 -11.640 -2.334 1.00 0.00 C ATOM 190 CG LYS A 299 -5.262 -11.996 -2.596 1.00 0.00 C ATOM 191 CD LYS A 299 -4.211 -10.989 -2.107 1.00 0.00 C ATOM 192 CE LYS A 299 -4.090 -10.864 -0.590 1.00 0.00 C ATOM 193 NZ LYS A 299 -2.881 -10.092 -0.208 1.00 0.00 N ATOM 0 H LYS A 299 -5.930 -10.503 -4.620 1.00 0.00 H new ATOM 0 HA LYS A 299 -8.359 -10.424 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 299 -6.867 -11.537 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 299 -7.345 -12.481 -2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 299 -5.056 -12.958 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 299 -5.131 -12.131 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 299 -3.240 -11.276 -2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 299 -4.451 -10.009 -2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 299 -4.978 -10.374 -0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 299 -4.046 -11.857 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 299 -2.997 -9.719 0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 299 -2.048 -10.713 -0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 299 -2.750 -9.302 -0.871 1.00 0.00 H new ATOM 207 N ALA A 300 -6.611 -7.971 -2.941 1.00 0.00 N ATOM 208 CA ALA A 300 -6.424 -6.669 -2.335 1.00 0.00 C ATOM 209 C ALA A 300 -7.679 -6.190 -1.575 1.00 0.00 C ATOM 210 O ALA A 300 -8.823 -6.346 -2.009 1.00 0.00 O ATOM 211 CB ALA A 300 -6.013 -5.700 -3.442 1.00 0.00 C ATOM 0 H ALA A 300 -6.446 -7.979 -3.948 1.00 0.00 H new ATOM 0 HA ALA A 300 -5.641 -6.722 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.863 -4.707 -3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -5.085 -6.043 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -6.797 -5.658 -4.198 1.00 0.00 H new ATOM 217 N THR A 301 -7.424 -5.565 -0.436 1.00 0.00 N ATOM 218 CA THR A 301 -8.339 -4.792 0.407 1.00 0.00 C ATOM 219 C THR A 301 -7.545 -3.714 1.094 1.00 0.00 C ATOM 220 O THR A 301 -6.340 -3.851 1.238 1.00 0.00 O ATOM 221 CB THR A 301 -8.994 -5.591 1.544 1.00 0.00 C ATOM 222 OG1 THR A 301 -9.052 -6.986 1.323 1.00 0.00 O ATOM 223 CG2 THR A 301 -10.414 -5.105 1.711 1.00 0.00 C ATOM 0 H THR A 301 -6.486 -5.585 -0.037 1.00 0.00 H new ATOM 0 HA THR A 301 -9.121 -4.435 -0.262 1.00 0.00 H new ATOM 0 HB THR A 301 -8.372 -5.429 2.424 1.00 0.00 H new ATOM 0 HG1 THR A 301 -9.479 -7.421 2.090 1.00 0.00 H new ATOM 0 HG21 THR A 301 -10.897 -5.661 2.515 1.00 0.00 H new ATOM 0 HG22 THR A 301 -10.409 -4.043 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 301 -10.963 -5.260 0.782 1.00 0.00 H new ATOM 231 N GLU A 302 -8.196 -2.670 1.584 1.00 0.00 N ATOM 232 CA GLU A 302 -7.505 -1.606 2.293 1.00 0.00 C ATOM 233 C GLU A 302 -6.696 -2.139 3.469 1.00 0.00 C ATOM 234 O GLU A 302 -5.504 -1.884 3.572 1.00 0.00 O ATOM 235 CB GLU A 302 -8.482 -0.516 2.696 1.00 0.00 C ATOM 236 CG GLU A 302 -9.877 -0.926 3.160 1.00 0.00 C ATOM 237 CD GLU A 302 -9.974 -1.714 4.470 1.00 0.00 C ATOM 238 OE1 GLU A 302 -9.937 -1.104 5.563 1.00 0.00 O ATOM 239 OE2 GLU A 302 -10.082 -2.963 4.403 1.00 0.00 O ATOM 0 H GLU A 302 -9.204 -2.538 1.503 1.00 0.00 H new ATOM 0 HA GLU A 302 -6.779 -1.157 1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -8.022 0.062 3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -8.599 0.156 1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -10.478 -0.023 3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -10.334 -1.524 2.371 1.00 0.00 H new ATOM 246 N ASN A 303 -7.284 -2.982 4.304 1.00 0.00 N ATOM 247 CA ASN A 303 -6.566 -3.551 5.424 1.00 0.00 C ATOM 248 C ASN A 303 -5.510 -4.559 4.993 1.00 0.00 C ATOM 249 O ASN A 303 -4.429 -4.617 5.575 1.00 0.00 O ATOM 250 CB ASN A 303 -7.570 -4.094 6.431 1.00 0.00 C ATOM 251 CG ASN A 303 -8.148 -5.446 6.049 1.00 0.00 C ATOM 252 OD1 ASN A 303 -7.642 -6.496 6.420 1.00 0.00 O ATOM 253 ND2 ASN A 303 -9.207 -5.463 5.276 1.00 0.00 N ATOM 0 H ASN A 303 -8.255 -3.284 4.224 1.00 0.00 H new ATOM 0 HA ASN A 303 -5.989 -2.769 5.918 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.086 -4.177 7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -8.385 -3.378 6.540 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -9.610 -6.353 4.983 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -9.627 -4.586 4.968 1.00 0.00 H new ATOM 260 N ASP A 304 -5.786 -5.280 3.908 1.00 0.00 N ATOM 261 CA ASP A 304 -4.815 -6.166 3.286 1.00 0.00 C ATOM 262 C ASP A 304 -3.528 -5.413 2.922 1.00 0.00 C ATOM 263 O ASP A 304 -2.424 -5.845 3.260 1.00 0.00 O ATOM 264 CB ASP A 304 -5.409 -6.841 2.055 1.00 0.00 C ATOM 265 CG ASP A 304 -4.388 -7.777 1.394 1.00 0.00 C ATOM 266 OD1 ASP A 304 -4.005 -8.794 2.018 1.00 0.00 O ATOM 267 OD2 ASP A 304 -3.951 -7.498 0.253 1.00 0.00 O ATOM 0 H ASP A 304 -6.691 -5.263 3.438 1.00 0.00 H new ATOM 0 HA ASP A 304 -4.558 -6.938 4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -6.296 -7.407 2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -5.730 -6.084 1.340 1.00 0.00 H new ATOM 272 N ILE A 305 -3.667 -4.245 2.293 1.00 0.00 N ATOM 273 CA ILE A 305 -2.522 -3.538 1.734 1.00 0.00 C ATOM 274 C ILE A 305 -1.665 -2.865 2.792 1.00 0.00 C ATOM 275 O ILE A 305 -0.437 -2.923 2.721 1.00 0.00 O ATOM 276 CB ILE A 305 -2.939 -2.526 0.663 1.00 0.00 C ATOM 277 CG1 ILE A 305 -4.006 -1.541 1.120 1.00 0.00 C ATOM 278 CG2 ILE A 305 -3.405 -3.316 -0.564 1.00 0.00 C ATOM 279 CD1 ILE A 305 -4.077 -0.278 0.298 1.00 0.00 C ATOM 0 H ILE A 305 -4.561 -3.772 2.160 1.00 0.00 H new ATOM 0 HA ILE A 305 -1.909 -4.306 1.261 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.076 -1.902 0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 305 -4.977 -2.035 1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -3.816 -1.274 2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -3.710 -2.623 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -2.588 -3.939 -0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -4.249 -3.949 -0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -4.862 0.368 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -3.121 0.242 0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -4.299 -0.531 -0.739 1.00 0.00 H new ATOM 291 N TYR A 306 -2.276 -2.248 3.801 1.00 0.00 N ATOM 292 CA TYR A 306 -1.474 -1.486 4.742 1.00 0.00 C ATOM 293 C TYR A 306 -0.879 -2.362 5.831 1.00 0.00 C ATOM 294 O TYR A 306 0.203 -2.065 6.332 1.00 0.00 O ATOM 295 CB TYR A 306 -2.253 -0.309 5.295 1.00 0.00 C ATOM 296 CG TYR A 306 -3.271 -0.634 6.367 1.00 0.00 C ATOM 297 CD1 TYR A 306 -2.819 -0.918 7.669 1.00 0.00 C ATOM 298 CD2 TYR A 306 -4.649 -0.521 6.099 1.00 0.00 C ATOM 299 CE1 TYR A 306 -3.746 -1.110 8.710 1.00 0.00 C ATOM 300 CE2 TYR A 306 -5.580 -0.686 7.146 1.00 0.00 C ATOM 301 CZ TYR A 306 -5.129 -0.991 8.451 1.00 0.00 C ATOM 302 OH TYR A 306 -6.021 -1.169 9.465 1.00 0.00 O ATOM 0 H TYR A 306 -3.280 -2.260 3.981 1.00 0.00 H new ATOM 0 HA TYR A 306 -0.624 -1.077 4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -1.544 0.412 5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -2.768 0.181 4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -1.760 -0.989 7.869 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -4.991 -0.309 5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -3.400 -1.348 9.705 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -6.637 -0.579 6.951 1.00 0.00 H new ATOM 0 HH TYR A 306 -6.932 -1.053 9.123 1.00 0.00 H new ATOM 312 N ASN A 307 -1.559 -3.461 6.166 1.00 0.00 N ATOM 313 CA ASN A 307 -1.013 -4.420 7.129 1.00 0.00 C ATOM 314 C ASN A 307 0.105 -5.274 6.515 1.00 0.00 C ATOM 315 O ASN A 307 0.943 -5.794 7.257 1.00 0.00 O ATOM 316 CB ASN A 307 -2.126 -5.252 7.781 1.00 0.00 C ATOM 317 CG ASN A 307 -2.245 -6.671 7.243 1.00 0.00 C ATOM 318 OD1 ASN A 307 -1.824 -7.639 7.861 1.00 0.00 O ATOM 319 ND2 ASN A 307 -2.783 -6.836 6.063 1.00 0.00 N ATOM 0 H ASN A 307 -2.475 -3.707 5.791 1.00 0.00 H new ATOM 0 HA ASN A 307 -0.543 -3.855 7.934 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -1.948 -5.297 8.855 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -3.078 -4.740 7.637 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -2.851 -7.770 5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -3.135 -6.030 5.546 1.00 0.00 H new ATOM 326 N PHE A 308 0.156 -5.389 5.178 1.00 0.00 N ATOM 327 CA PHE A 308 1.343 -5.927 4.526 1.00 0.00 C ATOM 328 C PHE A 308 2.441 -4.862 4.531 1.00 0.00 C ATOM 329 O PHE A 308 3.502 -5.193 5.042 1.00 0.00 O ATOM 330 CB PHE A 308 1.059 -6.513 3.131 1.00 0.00 C ATOM 331 CG PHE A 308 1.771 -5.814 1.992 1.00 0.00 C ATOM 332 CD1 PHE A 308 3.163 -5.920 1.804 1.00 0.00 C ATOM 333 CD2 PHE A 308 1.039 -4.948 1.178 1.00 0.00 C ATOM 334 CE1 PHE A 308 3.806 -5.113 0.859 1.00 0.00 C ATOM 335 CE2 PHE A 308 1.667 -4.154 0.226 1.00 0.00 C ATOM 336 CZ PHE A 308 3.050 -4.200 0.118 1.00 0.00 C ATOM 0 H PHE A 308 -0.598 -5.121 4.546 1.00 0.00 H new ATOM 0 HA PHE A 308 1.696 -6.786 5.097 1.00 0.00 H new ATOM 0 HB2 PHE A 308 1.345 -7.565 3.129 1.00 0.00 H new ATOM 0 HB3 PHE A 308 -0.015 -6.475 2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 308 3.734 -6.625 2.390 1.00 0.00 H new ATOM 0 HD2 PHE A 308 -0.034 -4.894 1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 308 4.872 -5.194 0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 308 1.088 -3.511 -0.420 1.00 0.00 H new ATOM 0 HZ PHE A 308 3.552 -3.517 -0.552 1.00 0.00 H new ATOM 346 N PHE A 309 2.201 -3.622 4.052 1.00 0.00 N ATOM 347 CA PHE A 309 3.178 -2.511 3.950 1.00 0.00 C ATOM 348 C PHE A 309 4.098 -2.377 5.159 1.00 0.00 C ATOM 349 O PHE A 309 5.242 -1.988 4.979 1.00 0.00 O ATOM 350 CB PHE A 309 2.437 -1.166 3.874 1.00 0.00 C ATOM 351 CG PHE A 309 2.387 -0.326 2.617 1.00 0.00 C ATOM 352 CD1 PHE A 309 3.599 0.071 2.024 1.00 0.00 C ATOM 353 CD2 PHE A 309 1.190 0.299 2.221 1.00 0.00 C ATOM 354 CE1 PHE A 309 3.614 1.074 1.043 1.00 0.00 C ATOM 355 CE2 PHE A 309 1.209 1.295 1.232 1.00 0.00 C ATOM 356 CZ PHE A 309 2.415 1.672 0.629 1.00 0.00 C ATOM 0 H PHE A 309 1.278 -3.354 3.709 1.00 0.00 H new ATOM 0 HA PHE A 309 3.766 -2.744 3.062 1.00 0.00 H new ATOM 0 HB2 PHE A 309 1.403 -1.366 4.155 1.00 0.00 H new ATOM 0 HB3 PHE A 309 2.862 -0.533 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 309 4.523 -0.399 2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.255 0.012 2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 309 4.551 1.386 0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.288 1.773 0.934 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.422 2.419 -0.151 1.00 0.00 H new ATOM 366 N SER A 310 3.575 -2.647 6.351 1.00 0.00 N ATOM 367 CA SER A 310 4.183 -3.254 7.556 1.00 0.00 C ATOM 368 C SER A 310 3.155 -3.190 8.692 1.00 0.00 C ATOM 369 O SER A 310 1.996 -2.841 8.460 1.00 0.00 O ATOM 370 CB SER A 310 5.472 -2.546 7.994 1.00 0.00 C ATOM 371 OG SER A 310 6.539 -2.584 7.074 1.00 0.00 O ATOM 0 H SER A 310 2.596 -2.422 6.528 1.00 0.00 H new ATOM 0 HA SER A 310 4.455 -4.282 7.317 1.00 0.00 H new ATOM 0 HB2 SER A 310 5.237 -1.503 8.205 1.00 0.00 H new ATOM 0 HB3 SER A 310 5.809 -2.992 8.930 1.00 0.00 H new ATOM 0 HG SER A 310 6.309 -2.052 6.284 1.00 0.00 H new ATOM 377 N PRO A 311 3.553 -3.485 9.934 1.00 0.00 N ATOM 378 CA PRO A 311 2.929 -2.965 11.140 1.00 0.00 C ATOM 379 C PRO A 311 2.610 -1.451 11.256 1.00 0.00 C ATOM 380 O PRO A 311 3.136 -0.765 12.136 1.00 0.00 O ATOM 381 CB PRO A 311 3.829 -3.482 12.257 1.00 0.00 C ATOM 382 CG PRO A 311 4.174 -4.884 11.771 1.00 0.00 C ATOM 383 CD PRO A 311 4.382 -4.644 10.276 1.00 0.00 C ATOM 0 HA PRO A 311 1.898 -3.318 11.168 1.00 0.00 H new ATOM 0 HB2 PRO A 311 4.718 -2.864 12.382 1.00 0.00 H new ATOM 0 HB3 PRO A 311 3.315 -3.499 13.218 1.00 0.00 H new ATOM 0 HG2 PRO A 311 5.070 -5.276 12.252 1.00 0.00 H new ATOM 0 HG3 PRO A 311 3.371 -5.595 11.965 1.00 0.00 H new ATOM 0 HD2 PRO A 311 5.432 -4.452 10.054 1.00 0.00 H new ATOM 0 HD3 PRO A 311 4.088 -5.519 9.696 1.00 0.00 H new ATOM 391 N LEU A 312 1.736 -0.921 10.392 1.00 0.00 N ATOM 392 CA LEU A 312 1.380 0.502 10.267 1.00 0.00 C ATOM 393 C LEU A 312 -0.110 0.775 10.526 1.00 0.00 C ATOM 394 O LEU A 312 -0.931 -0.141 10.576 1.00 0.00 O ATOM 395 CB LEU A 312 1.718 0.993 8.854 1.00 0.00 C ATOM 396 CG LEU A 312 3.086 0.619 8.278 1.00 0.00 C ATOM 397 CD1 LEU A 312 3.268 1.422 7.010 1.00 0.00 C ATOM 398 CD2 LEU A 312 4.306 0.929 9.130 1.00 0.00 C ATOM 0 H LEU A 312 1.230 -1.503 9.724 1.00 0.00 H new ATOM 0 HA LEU A 312 1.956 1.034 11.025 1.00 0.00 H new ATOM 0 HB2 LEU A 312 0.954 0.614 8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 312 1.638 2.080 8.849 1.00 0.00 H new ATOM 0 HG LEU A 312 3.054 -0.465 8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 312 4.234 1.185 6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 312 2.474 1.175 6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 312 3.227 2.486 7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 312 5.207 0.613 8.604 1.00 0.00 H new ATOM 0 HD22 LEU A 312 4.354 2.001 9.321 1.00 0.00 H new ATOM 0 HD23 LEU A 312 4.233 0.395 10.077 1.00 0.00 H new ATOM 410 N ASN A 313 -0.471 2.056 10.630 1.00 0.00 N ATOM 411 CA ASN A 313 -1.826 2.586 10.833 1.00 0.00 C ATOM 412 C ASN A 313 -2.083 3.825 9.926 1.00 0.00 C ATOM 413 O ASN A 313 -1.937 4.975 10.351 1.00 0.00 O ATOM 414 CB ASN A 313 -2.062 2.893 12.327 1.00 0.00 C ATOM 415 CG ASN A 313 -2.720 1.779 13.133 1.00 0.00 C ATOM 416 OD1 ASN A 313 -3.478 2.031 14.060 1.00 0.00 O ATOM 417 ND2 ASN A 313 -2.489 0.524 12.825 1.00 0.00 N ATOM 0 H ASN A 313 0.221 2.803 10.571 1.00 0.00 H new ATOM 0 HA ASN A 313 -2.550 1.827 10.537 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -1.103 3.131 12.786 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -2.682 3.786 12.402 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -2.939 -0.222 13.355 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -1.860 0.295 12.055 1.00 0.00 H new ATOM 424 N PRO A 314 -2.480 3.607 8.657 1.00 0.00 N ATOM 425 CA PRO A 314 -3.160 4.568 7.818 1.00 0.00 C ATOM 426 C PRO A 314 -4.424 4.999 8.522 1.00 0.00 C ATOM 427 O PRO A 314 -5.359 4.235 8.777 1.00 0.00 O ATOM 428 CB PRO A 314 -3.473 3.938 6.471 1.00 0.00 C ATOM 429 CG PRO A 314 -2.922 2.541 6.577 1.00 0.00 C ATOM 430 CD PRO A 314 -2.629 2.323 8.065 1.00 0.00 C ATOM 0 HA PRO A 314 -2.531 5.440 7.642 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -4.545 3.929 6.276 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -3.005 4.489 5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -3.639 1.808 6.208 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -2.017 2.431 5.979 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -3.441 1.772 8.540 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -1.723 1.732 8.196 1.00 0.00 H new ATOM 438 N VAL A 315 -4.412 6.276 8.826 1.00 0.00 N ATOM 439 CA VAL A 315 -5.559 7.029 9.308 1.00 0.00 C ATOM 440 C VAL A 315 -6.600 7.243 8.207 1.00 0.00 C ATOM 441 O VAL A 315 -7.740 7.611 8.499 1.00 0.00 O ATOM 442 CB VAL A 315 -5.041 8.325 9.924 1.00 0.00 C ATOM 443 CG1 VAL A 315 -4.192 7.903 11.133 1.00 0.00 C ATOM 444 CG2 VAL A 315 -4.163 9.156 8.976 1.00 0.00 C ATOM 0 H VAL A 315 -3.571 6.847 8.743 1.00 0.00 H new ATOM 0 HA VAL A 315 -6.091 6.469 10.077 1.00 0.00 H new ATOM 0 HB VAL A 315 -5.892 8.957 10.178 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -3.789 8.790 11.622 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -4.813 7.350 11.838 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -3.371 7.269 10.798 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -3.833 10.061 9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -3.293 8.570 8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -4.738 9.427 8.091 1.00 0.00 H new ATOM 454 N ARG A 316 -6.230 6.926 6.957 1.00 0.00 N ATOM 455 CA ARG A 316 -7.121 6.776 5.807 1.00 0.00 C ATOM 456 C ARG A 316 -6.563 5.798 4.755 1.00 0.00 C ATOM 457 O ARG A 316 -5.353 5.608 4.682 1.00 0.00 O ATOM 458 CB ARG A 316 -7.321 8.176 5.194 1.00 0.00 C ATOM 459 CG ARG A 316 -8.716 8.748 5.521 1.00 0.00 C ATOM 460 CD ARG A 316 -9.237 9.746 4.479 1.00 0.00 C ATOM 461 NE ARG A 316 -8.389 10.945 4.370 1.00 0.00 N ATOM 462 CZ ARG A 316 -8.690 12.200 4.631 1.00 0.00 C ATOM 463 NH1 ARG A 316 -9.852 12.580 5.085 1.00 0.00 N ATOM 464 NH2 ARG A 316 -7.782 13.103 4.414 1.00 0.00 N ATOM 0 H ARG A 316 -5.253 6.760 6.714 1.00 0.00 H new ATOM 0 HA ARG A 316 -8.069 6.352 6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -6.553 8.851 5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -7.194 8.121 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -9.425 7.924 5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -8.678 9.239 6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -9.293 9.255 3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -10.251 10.046 4.743 1.00 0.00 H new ATOM 0 HE ARG A 316 -7.436 10.780 4.047 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -10.583 11.890 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.029 13.567 5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -6.868 12.831 4.052 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -7.983 14.085 4.606 1.00 0.00 H new ATOM 478 N VAL A 317 -7.406 5.235 3.883 1.00 0.00 N ATOM 479 CA VAL A 317 -6.977 4.426 2.713 1.00 0.00 C ATOM 480 C VAL A 317 -7.893 4.693 1.508 1.00 0.00 C ATOM 481 O VAL A 317 -9.094 4.912 1.678 1.00 0.00 O ATOM 482 CB VAL A 317 -6.986 2.894 2.995 1.00 0.00 C ATOM 483 CG1 VAL A 317 -6.138 2.122 1.971 1.00 0.00 C ATOM 484 CG2 VAL A 317 -6.450 2.448 4.360 1.00 0.00 C ATOM 0 H VAL A 317 -8.419 5.323 3.961 1.00 0.00 H new ATOM 0 HA VAL A 317 -5.952 4.731 2.501 1.00 0.00 H new ATOM 0 HB VAL A 317 -8.052 2.670 2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -6.169 1.057 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -6.536 2.288 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -5.107 2.472 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.508 1.362 4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -5.412 2.764 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.048 2.900 5.151 1.00 0.00 H new ATOM 494 N HIS A 318 -7.354 4.578 0.292 1.00 0.00 N ATOM 495 CA HIS A 318 -8.122 4.272 -0.923 1.00 0.00 C ATOM 496 C HIS A 318 -7.452 3.098 -1.652 1.00 0.00 C ATOM 497 O HIS A 318 -6.228 2.981 -1.662 1.00 0.00 O ATOM 498 CB HIS A 318 -8.327 5.532 -1.790 1.00 0.00 C ATOM 499 CG HIS A 318 -7.487 5.665 -3.033 1.00 0.00 C ATOM 500 ND1 HIS A 318 -7.915 5.615 -4.342 1.00 0.00 N ATOM 501 CD2 HIS A 318 -6.166 5.996 -3.064 1.00 0.00 C ATOM 502 CE1 HIS A 318 -6.866 5.882 -5.139 1.00 0.00 C ATOM 503 NE2 HIS A 318 -5.770 6.119 -4.402 1.00 0.00 N ATOM 0 H HIS A 318 -6.356 4.696 0.118 1.00 0.00 H new ATOM 0 HA HIS A 318 -9.132 3.954 -0.666 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -9.375 5.569 -2.087 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -8.142 6.405 -1.164 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -8.865 5.410 -4.653 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -5.531 6.139 -2.202 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -6.900 5.903 -6.218 1.00 0.00 H new ATOM 511 N ILE A 319 -8.256 2.198 -2.218 1.00 0.00 N ATOM 512 CA ILE A 319 -7.885 0.793 -2.513 1.00 0.00 C ATOM 513 C ILE A 319 -8.135 0.411 -3.987 1.00 0.00 C ATOM 514 O ILE A 319 -8.378 -0.724 -4.389 1.00 0.00 O ATOM 515 CB ILE A 319 -8.640 -0.098 -1.502 1.00 0.00 C ATOM 516 CG1 ILE A 319 -8.305 -1.583 -1.600 1.00 0.00 C ATOM 517 CG2 ILE A 319 -10.172 0.061 -1.595 1.00 0.00 C ATOM 518 CD1 ILE A 319 -6.814 -1.932 -1.647 1.00 0.00 C ATOM 0 H ILE A 319 -9.212 2.421 -2.496 1.00 0.00 H new ATOM 0 HA ILE A 319 -6.812 0.646 -2.392 1.00 0.00 H new ATOM 0 HB ILE A 319 -8.288 0.266 -0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -8.751 -2.093 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -8.780 -1.984 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -10.650 -0.588 -0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -10.443 1.097 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -10.506 -0.213 -2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -6.695 -3.013 -1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.357 -1.460 -2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -6.327 -1.571 -0.741 1.00 0.00 H new ATOM 530 N GLU A 320 -8.124 1.452 -4.791 1.00 0.00 N ATOM 531 CA GLU A 320 -8.685 1.554 -6.136 1.00 0.00 C ATOM 532 C GLU A 320 -8.367 0.391 -7.087 1.00 0.00 C ATOM 533 O GLU A 320 -7.214 0.168 -7.476 1.00 0.00 O ATOM 534 CB GLU A 320 -8.241 2.900 -6.729 1.00 0.00 C ATOM 535 CG GLU A 320 -9.342 3.603 -7.528 1.00 0.00 C ATOM 536 CD GLU A 320 -10.492 4.051 -6.603 1.00 0.00 C ATOM 537 OE1 GLU A 320 -10.274 4.944 -5.748 1.00 0.00 O ATOM 538 OE2 GLU A 320 -11.610 3.492 -6.708 1.00 0.00 O ATOM 0 H GLU A 320 -7.687 2.327 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 320 -9.768 1.494 -6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -7.914 3.555 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -7.379 2.737 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -8.926 4.469 -8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -9.727 2.930 -8.294 1.00 0.00 H new ATOM 545 N ILE A 321 -9.436 -0.309 -7.486 1.00 0.00 N ATOM 546 CA ILE A 321 -9.457 -1.360 -8.507 1.00 0.00 C ATOM 547 C ILE A 321 -10.737 -1.303 -9.353 1.00 0.00 C ATOM 548 O ILE A 321 -11.741 -0.706 -8.966 1.00 0.00 O ATOM 549 CB ILE A 321 -9.241 -2.759 -7.858 1.00 0.00 C ATOM 550 CG1 ILE A 321 -7.761 -2.872 -7.459 1.00 0.00 C ATOM 551 CG2 ILE A 321 -9.611 -3.903 -8.819 1.00 0.00 C ATOM 552 CD1 ILE A 321 -7.162 -4.273 -7.472 1.00 0.00 C ATOM 0 H ILE A 321 -10.359 -0.147 -7.082 1.00 0.00 H new ATOM 0 HA ILE A 321 -8.628 -1.184 -9.192 1.00 0.00 H new ATOM 0 HB ILE A 321 -9.891 -2.850 -6.988 1.00 0.00 H new ATOM 0 HG12 ILE A 321 -7.177 -2.244 -8.132 1.00 0.00 H new ATOM 0 HG13 ILE A 321 -7.645 -2.460 -6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 321 -9.445 -4.861 -8.326 1.00 0.00 H new ATOM 0 HG22 ILE A 321 -10.661 -3.817 -9.100 1.00 0.00 H new ATOM 0 HG23 ILE A 321 -8.990 -3.843 -9.713 1.00 0.00 H new ATOM 0 HD11 ILE A 321 -6.115 -4.224 -7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 321 -7.709 -4.909 -6.776 1.00 0.00 H new ATOM 0 HD13 ILE A 321 -7.233 -4.690 -8.477 1.00 0.00 H new ATOM 564 N GLY A 322 -10.655 -1.998 -10.491 1.00 0.00 N ATOM 565 CA GLY A 322 -11.710 -2.460 -11.380 1.00 0.00 C ATOM 566 C GLY A 322 -13.128 -2.621 -10.787 1.00 0.00 C ATOM 567 O GLY A 322 -13.882 -1.646 -10.717 1.00 0.00 O ATOM 0 H GLY A 322 -9.741 -2.279 -10.846 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -11.773 -1.764 -12.216 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -11.406 -3.423 -11.789 1.00 0.00 H new ATOM 571 N PRO A 323 -13.513 -3.847 -10.369 1.00 0.00 N ATOM 572 CA PRO A 323 -14.741 -4.129 -9.619 1.00 0.00 C ATOM 573 C PRO A 323 -14.839 -3.383 -8.290 1.00 0.00 C ATOM 574 O PRO A 323 -15.871 -2.805 -7.949 1.00 0.00 O ATOM 575 CB PRO A 323 -14.684 -5.640 -9.299 1.00 0.00 C ATOM 576 CG PRO A 323 -13.864 -6.188 -10.441 1.00 0.00 C ATOM 577 CD PRO A 323 -12.849 -5.094 -10.702 1.00 0.00 C ATOM 0 HA PRO A 323 -15.597 -3.815 -10.217 1.00 0.00 H new ATOM 0 HB2 PRO A 323 -14.215 -5.833 -8.334 1.00 0.00 H new ATOM 0 HB3 PRO A 323 -15.679 -6.085 -9.264 1.00 0.00 H new ATOM 0 HG2 PRO A 323 -13.381 -7.128 -10.174 1.00 0.00 H new ATOM 0 HG3 PRO A 323 -14.479 -6.383 -11.320 1.00 0.00 H new ATOM 0 HD2 PRO A 323 -11.956 -5.236 -10.093 1.00 0.00 H new ATOM 0 HD3 PRO A 323 -12.528 -5.099 -11.744 1.00 0.00 H new ATOM 585 N ASP A 324 -13.762 -3.506 -7.507 1.00 0.00 N ATOM 586 CA ASP A 324 -13.778 -3.401 -6.048 1.00 0.00 C ATOM 587 C ASP A 324 -12.386 -3.577 -5.408 1.00 0.00 C ATOM 588 O ASP A 324 -12.035 -2.895 -4.447 1.00 0.00 O ATOM 589 CB ASP A 324 -14.739 -4.462 -5.467 1.00 0.00 C ATOM 590 CG ASP A 324 -14.711 -4.532 -3.936 1.00 0.00 C ATOM 591 OD1 ASP A 324 -15.214 -3.600 -3.265 1.00 0.00 O ATOM 592 OD2 ASP A 324 -14.193 -5.543 -3.404 1.00 0.00 O ATOM 0 H ASP A 324 -12.831 -3.686 -7.883 1.00 0.00 H new ATOM 0 HA ASP A 324 -14.115 -2.392 -5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 324 -15.755 -4.241 -5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 324 -14.479 -5.439 -5.873 1.00 0.00 H new ATOM 597 N GLY A 325 -11.602 -4.515 -5.950 1.00 0.00 N ATOM 598 CA GLY A 325 -10.364 -5.021 -5.335 1.00 0.00 C ATOM 599 C GLY A 325 -9.769 -6.253 -6.005 1.00 0.00 C ATOM 600 O GLY A 325 -8.966 -6.953 -5.397 1.00 0.00 O ATOM 0 H GLY A 325 -11.812 -4.954 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -9.619 -4.225 -5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -10.565 -5.256 -4.290 1.00 0.00 H new ATOM 604 N ARG A 326 -10.208 -6.570 -7.232 1.00 0.00 N ATOM 605 CA ARG A 326 -10.160 -7.914 -7.806 1.00 0.00 C ATOM 606 C ARG A 326 -9.263 -8.064 -9.055 1.00 0.00 C ATOM 607 O ARG A 326 -9.455 -9.013 -9.811 1.00 0.00 O ATOM 608 CB ARG A 326 -11.612 -8.422 -8.011 1.00 0.00 C ATOM 609 CG ARG A 326 -12.628 -8.050 -6.898 1.00 0.00 C ATOM 610 CD ARG A 326 -12.150 -8.594 -5.551 1.00 0.00 C ATOM 611 NE ARG A 326 -12.467 -7.774 -4.367 1.00 0.00 N ATOM 612 CZ ARG A 326 -11.661 -7.621 -3.328 1.00 0.00 C ATOM 613 NH1 ARG A 326 -10.525 -8.247 -3.204 1.00 0.00 N ATOM 614 NH2 ARG A 326 -11.958 -6.774 -2.394 1.00 0.00 N ATOM 0 H ARG A 326 -10.615 -5.880 -7.864 1.00 0.00 H new ATOM 0 HA ARG A 326 -9.653 -8.561 -7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -11.982 -8.030 -8.959 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -11.586 -9.508 -8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -12.740 -6.967 -6.843 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -13.609 -8.460 -7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 326 -12.584 -9.584 -5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 326 -11.069 -8.724 -5.598 1.00 0.00 H new ATOM 0 HE ARG A 326 -13.366 -7.293 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 326 -10.217 -8.894 -3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 326 -9.944 -8.090 -2.381 1.00 0.00 H new ATOM 0 HH21 ARG A 326 -12.814 -6.223 -2.458 1.00 0.00 H new ATOM 0 HH22 ARG A 326 -11.336 -6.658 -1.594 1.00 0.00 H new ATOM 628 N VAL A 327 -8.314 -7.137 -9.299 1.00 0.00 N ATOM 629 CA VAL A 327 -7.554 -7.058 -10.575 1.00 0.00 C ATOM 630 C VAL A 327 -6.039 -6.766 -10.437 1.00 0.00 C ATOM 631 O VAL A 327 -5.238 -7.697 -10.371 1.00 0.00 O ATOM 632 CB VAL A 327 -8.244 -6.113 -11.585 1.00 0.00 C ATOM 633 CG1 VAL A 327 -7.686 -6.281 -12.996 1.00 0.00 C ATOM 634 CG2 VAL A 327 -9.739 -6.390 -11.669 1.00 0.00 C ATOM 0 H VAL A 327 -8.049 -6.421 -8.622 1.00 0.00 H new ATOM 0 HA VAL A 327 -7.582 -8.072 -10.974 1.00 0.00 H new ATOM 0 HB VAL A 327 -8.054 -5.103 -11.221 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -8.199 -5.598 -13.674 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -6.619 -6.058 -12.994 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -7.841 -7.307 -13.329 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -10.195 -5.709 -12.388 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -9.901 -7.419 -11.991 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -10.192 -6.241 -10.689 1.00 0.00 H new ATOM 644 N THR A 328 -5.660 -5.481 -10.463 1.00 0.00 N ATOM 645 CA THR A 328 -4.305 -4.960 -10.820 1.00 0.00 C ATOM 646 C THR A 328 -3.800 -3.752 -9.984 1.00 0.00 C ATOM 647 O THR A 328 -2.780 -3.139 -10.301 1.00 0.00 O ATOM 648 CB THR A 328 -4.315 -4.584 -12.319 1.00 0.00 C ATOM 649 OG1 THR A 328 -3.028 -4.305 -12.827 1.00 0.00 O ATOM 650 CG2 THR A 328 -5.243 -3.395 -12.628 1.00 0.00 C ATOM 0 H THR A 328 -6.309 -4.730 -10.227 1.00 0.00 H new ATOM 0 HA THR A 328 -3.604 -5.762 -10.590 1.00 0.00 H new ATOM 0 HB THR A 328 -4.701 -5.472 -12.819 1.00 0.00 H new ATOM 0 HG1 THR A 328 -2.537 -3.750 -12.186 1.00 0.00 H new ATOM 0 HG21 THR A 328 -5.210 -3.175 -13.695 1.00 0.00 H new ATOM 0 HG22 THR A 328 -6.264 -3.646 -12.341 1.00 0.00 H new ATOM 0 HG23 THR A 328 -4.913 -2.521 -12.067 1.00 0.00 H new ATOM 658 N GLY A 329 -4.569 -3.381 -8.960 1.00 0.00 N ATOM 659 CA GLY A 329 -4.697 -2.100 -8.242 1.00 0.00 C ATOM 660 C GLY A 329 -3.572 -1.103 -8.017 1.00 0.00 C ATOM 661 O GLY A 329 -2.380 -1.363 -8.146 1.00 0.00 O ATOM 0 H GLY A 329 -5.208 -4.065 -8.555 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -5.485 -1.549 -8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -5.076 -2.351 -7.251 1.00 0.00 H new ATOM 665 N GLU A 330 -4.057 0.094 -7.683 1.00 0.00 N ATOM 666 CA GLU A 330 -3.558 1.384 -8.165 1.00 0.00 C ATOM 667 C GLU A 330 -3.885 2.482 -7.123 1.00 0.00 C ATOM 668 O GLU A 330 -4.658 3.413 -7.366 1.00 0.00 O ATOM 669 CB GLU A 330 -4.243 1.666 -9.521 1.00 0.00 C ATOM 670 CG GLU A 330 -3.837 0.697 -10.637 1.00 0.00 C ATOM 671 CD GLU A 330 -4.388 1.160 -11.997 1.00 0.00 C ATOM 672 OE1 GLU A 330 -3.774 2.064 -12.618 1.00 0.00 O ATOM 673 OE2 GLU A 330 -5.425 0.625 -12.457 1.00 0.00 O ATOM 0 H GLU A 330 -4.843 0.196 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 330 -2.476 1.372 -8.300 1.00 0.00 H new ATOM 0 HB2 GLU A 330 -5.324 1.618 -9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 330 -4.005 2.683 -9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 330 -2.750 0.627 -10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 330 -4.211 -0.302 -10.410 1.00 0.00 H new ATOM 680 N ALA A 331 -3.363 2.302 -5.911 1.00 0.00 N ATOM 681 CA ALA A 331 -3.923 2.783 -4.649 1.00 0.00 C ATOM 682 C ALA A 331 -2.976 3.719 -3.869 1.00 0.00 C ATOM 683 O ALA A 331 -1.782 3.804 -4.174 1.00 0.00 O ATOM 684 CB ALA A 331 -4.233 1.495 -3.873 1.00 0.00 C ATOM 0 H ALA A 331 -2.492 1.789 -5.776 1.00 0.00 H new ATOM 0 HA ALA A 331 -4.803 3.405 -4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -4.661 1.749 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -4.945 0.893 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -3.314 0.928 -3.727 1.00 0.00 H new ATOM 690 N ASP A 332 -3.500 4.404 -2.844 1.00 0.00 N ATOM 691 CA ASP A 332 -2.736 5.259 -1.926 1.00 0.00 C ATOM 692 C ASP A 332 -3.318 5.223 -0.507 1.00 0.00 C ATOM 693 O ASP A 332 -4.521 5.057 -0.294 1.00 0.00 O ATOM 694 CB ASP A 332 -2.682 6.729 -2.397 1.00 0.00 C ATOM 695 CG ASP A 332 -1.378 7.153 -3.072 1.00 0.00 C ATOM 696 OD1 ASP A 332 -0.412 7.480 -2.342 1.00 0.00 O ATOM 697 OD2 ASP A 332 -1.341 7.249 -4.321 1.00 0.00 O ATOM 0 H ASP A 332 -4.496 4.378 -2.624 1.00 0.00 H new ATOM 0 HA ASP A 332 -1.724 4.854 -1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -3.504 6.901 -3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -2.853 7.375 -1.536 1.00 0.00 H new ATOM 702 N VAL A 333 -2.443 5.394 0.482 1.00 0.00 N ATOM 703 CA VAL A 333 -2.756 5.087 1.882 1.00 0.00 C ATOM 704 C VAL A 333 -2.141 6.121 2.786 1.00 0.00 C ATOM 705 O VAL A 333 -0.970 6.462 2.655 1.00 0.00 O ATOM 706 CB VAL A 333 -2.343 3.641 2.248 1.00 0.00 C ATOM 707 CG1 VAL A 333 -2.246 2.700 1.049 1.00 0.00 C ATOM 708 CG2 VAL A 333 -1.046 3.443 3.019 1.00 0.00 C ATOM 0 H VAL A 333 -1.497 5.749 0.339 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.836 5.133 2.024 1.00 0.00 H new ATOM 0 HB VAL A 333 -3.176 3.400 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.952 1.707 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -3.215 2.642 0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.502 3.079 0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.890 2.380 3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.213 3.837 2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -1.105 3.970 3.971 1.00 0.00 H new ATOM 718 N GLU A 334 -2.975 6.676 3.652 1.00 0.00 N ATOM 719 CA GLU A 334 -2.767 7.970 4.270 1.00 0.00 C ATOM 720 C GLU A 334 -2.399 7.806 5.732 1.00 0.00 C ATOM 721 O GLU A 334 -3.209 7.336 6.529 1.00 0.00 O ATOM 722 CB GLU A 334 -4.041 8.813 4.166 1.00 0.00 C ATOM 723 CG GLU A 334 -3.969 9.944 3.134 1.00 0.00 C ATOM 724 CD GLU A 334 -4.694 11.212 3.597 1.00 0.00 C ATOM 725 OE1 GLU A 334 -4.079 12.043 4.306 1.00 0.00 O ATOM 726 OE2 GLU A 334 -5.889 11.388 3.269 1.00 0.00 O ATOM 0 H GLU A 334 -3.839 6.223 3.951 1.00 0.00 H new ATOM 0 HA GLU A 334 -1.952 8.471 3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -4.875 8.159 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -4.259 9.243 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -2.924 10.181 2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -4.406 9.603 2.195 1.00 0.00 H new ATOM 733 N PHE A 335 -1.181 8.189 6.089 1.00 0.00 N ATOM 734 CA PHE A 335 -0.497 7.636 7.252 1.00 0.00 C ATOM 735 C PHE A 335 -0.294 8.632 8.403 1.00 0.00 C ATOM 736 O PHE A 335 -0.598 9.818 8.288 1.00 0.00 O ATOM 737 CB PHE A 335 0.860 7.079 6.779 1.00 0.00 C ATOM 738 CG PHE A 335 0.880 5.630 6.331 1.00 0.00 C ATOM 739 CD1 PHE A 335 0.260 4.618 7.083 1.00 0.00 C ATOM 740 CD2 PHE A 335 1.637 5.267 5.210 1.00 0.00 C ATOM 741 CE1 PHE A 335 0.319 3.287 6.653 1.00 0.00 C ATOM 742 CE2 PHE A 335 1.660 3.940 4.747 1.00 0.00 C ATOM 743 CZ PHE A 335 0.955 2.954 5.452 1.00 0.00 C ATOM 0 H PHE A 335 -0.640 8.890 5.583 1.00 0.00 H new ATOM 0 HA PHE A 335 -1.134 6.855 7.668 1.00 0.00 H new ATOM 0 HB2 PHE A 335 1.212 7.696 5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 335 1.578 7.194 7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -0.263 4.867 7.994 1.00 0.00 H new ATOM 0 HD2 PHE A 335 2.213 6.020 4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -0.130 2.510 7.254 1.00 0.00 H new ATOM 0 HE2 PHE A 335 2.215 3.682 3.857 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.903 1.945 5.071 1.00 0.00 H new ATOM 753 N ALA A 336 0.294 8.149 9.502 1.00 0.00 N ATOM 754 CA ALA A 336 0.920 8.941 10.547 1.00 0.00 C ATOM 755 C ALA A 336 2.406 9.218 10.251 1.00 0.00 C ATOM 756 O ALA A 336 3.306 8.883 11.026 1.00 0.00 O ATOM 757 CB ALA A 336 0.813 8.210 11.869 1.00 0.00 C ATOM 0 H ALA A 336 0.345 7.148 9.689 1.00 0.00 H new ATOM 0 HA ALA A 336 0.398 9.897 10.590 1.00 0.00 H new ATOM 0 HB1 ALA A 336 1.283 8.805 12.653 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -0.237 8.052 12.114 1.00 0.00 H new ATOM 0 HB3 ALA A 336 1.317 7.246 11.794 1.00 0.00 H new ATOM 763 N THR A 337 2.682 9.766 9.079 1.00 0.00 N ATOM 764 CA THR A 337 3.754 10.702 8.747 1.00 0.00 C ATOM 765 C THR A 337 4.707 10.102 7.736 1.00 0.00 C ATOM 766 O THR A 337 4.579 8.929 7.378 1.00 0.00 O ATOM 767 CB THR A 337 4.480 11.317 9.958 1.00 0.00 C ATOM 768 OG1 THR A 337 5.262 10.448 10.727 1.00 0.00 O ATOM 769 CG2 THR A 337 3.544 12.176 10.803 1.00 0.00 C ATOM 0 H THR A 337 2.113 9.551 8.260 1.00 0.00 H new ATOM 0 HA THR A 337 3.261 11.557 8.284 1.00 0.00 H new ATOM 0 HB THR A 337 5.229 11.968 9.507 1.00 0.00 H new ATOM 0 HG1 THR A 337 4.793 9.594 10.834 1.00 0.00 H new ATOM 0 HG21 THR A 337 4.094 12.591 11.647 1.00 0.00 H new ATOM 0 HG22 THR A 337 3.146 12.988 10.194 1.00 0.00 H new ATOM 0 HG23 THR A 337 2.722 11.563 11.172 1.00 0.00 H new ATOM 777 N HIS A 338 5.688 10.891 7.295 1.00 0.00 N ATOM 778 CA HIS A 338 6.827 10.363 6.554 1.00 0.00 C ATOM 779 C HIS A 338 7.424 9.181 7.304 1.00 0.00 C ATOM 780 O HIS A 338 7.687 8.165 6.708 1.00 0.00 O ATOM 781 CB HIS A 338 7.845 11.486 6.307 1.00 0.00 C ATOM 782 CG HIS A 338 9.001 11.080 5.429 1.00 0.00 C ATOM 783 ND1 HIS A 338 9.039 11.109 4.051 1.00 0.00 N ATOM 784 CD2 HIS A 338 10.235 10.671 5.858 1.00 0.00 C ATOM 785 CE1 HIS A 338 10.269 10.730 3.661 1.00 0.00 C ATOM 786 NE2 HIS A 338 11.037 10.449 4.730 1.00 0.00 N ATOM 0 H HIS A 338 5.713 11.900 7.440 1.00 0.00 H new ATOM 0 HA HIS A 338 6.509 9.995 5.578 1.00 0.00 H new ATOM 0 HB2 HIS A 338 7.333 12.333 5.849 1.00 0.00 H new ATOM 0 HB3 HIS A 338 8.233 11.829 7.266 1.00 0.00 H new ATOM 0 HD2 HIS A 338 10.538 10.542 6.887 1.00 0.00 H new ATOM 0 HE1 HIS A 338 10.595 10.661 2.634 1.00 0.00 H new ATOM 0 HE2 HIS A 338 12.008 10.137 4.721 1.00 0.00 H new ATOM 794 N GLU A 339 7.517 9.243 8.622 1.00 0.00 N ATOM 795 CA GLU A 339 8.025 8.197 9.497 1.00 0.00 C ATOM 796 C GLU A 339 7.148 6.925 9.565 1.00 0.00 C ATOM 797 O GLU A 339 7.698 5.820 9.574 1.00 0.00 O ATOM 798 CB GLU A 339 8.307 8.830 10.865 1.00 0.00 C ATOM 799 CG GLU A 339 9.479 9.817 10.747 1.00 0.00 C ATOM 800 CD GLU A 339 9.942 10.316 12.129 1.00 0.00 C ATOM 801 OE1 GLU A 339 10.719 9.602 12.810 1.00 0.00 O ATOM 802 OE2 GLU A 339 9.547 11.434 12.542 1.00 0.00 O ATOM 0 H GLU A 339 7.224 10.071 9.140 1.00 0.00 H new ATOM 0 HA GLU A 339 8.950 7.806 9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 339 7.419 9.347 11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 339 8.544 8.055 11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 339 10.312 9.334 10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 339 9.179 10.667 10.134 1.00 0.00 H new ATOM 809 N GLU A 340 5.810 7.009 9.513 1.00 0.00 N ATOM 810 CA GLU A 340 4.964 5.828 9.287 1.00 0.00 C ATOM 811 C GLU A 340 5.178 5.213 7.892 1.00 0.00 C ATOM 812 O GLU A 340 5.395 4.014 7.713 1.00 0.00 O ATOM 813 CB GLU A 340 3.516 6.255 9.502 1.00 0.00 C ATOM 814 CG GLU A 340 2.428 5.208 9.308 1.00 0.00 C ATOM 815 CD GLU A 340 2.317 4.298 10.545 1.00 0.00 C ATOM 816 OE1 GLU A 340 3.322 3.691 10.979 1.00 0.00 O ATOM 817 OE2 GLU A 340 1.207 4.212 11.111 1.00 0.00 O ATOM 0 H GLU A 340 5.292 7.880 9.624 1.00 0.00 H new ATOM 0 HA GLU A 340 5.235 5.041 9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 340 3.429 6.643 10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 340 3.308 7.083 8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 340 1.472 5.700 9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 340 2.650 4.606 8.427 1.00 0.00 H new ATOM 824 N ALA A 341 5.161 6.074 6.886 1.00 0.00 N ATOM 825 CA ALA A 341 5.225 5.736 5.476 1.00 0.00 C ATOM 826 C ALA A 341 6.583 5.204 4.995 1.00 0.00 C ATOM 827 O ALA A 341 6.672 4.322 4.144 1.00 0.00 O ATOM 828 CB ALA A 341 4.912 7.057 4.809 1.00 0.00 C ATOM 0 H ALA A 341 5.099 7.080 7.042 1.00 0.00 H new ATOM 0 HA ALA A 341 4.543 4.918 5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 341 4.930 6.931 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 341 3.923 7.396 5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 341 5.657 7.797 5.101 1.00 0.00 H new ATOM 834 N VAL A 342 7.660 5.731 5.561 1.00 0.00 N ATOM 835 CA VAL A 342 9.050 5.350 5.315 1.00 0.00 C ATOM 836 C VAL A 342 9.400 4.055 6.031 1.00 0.00 C ATOM 837 O VAL A 342 10.251 3.291 5.583 1.00 0.00 O ATOM 838 CB VAL A 342 9.979 6.470 5.785 1.00 0.00 C ATOM 839 CG1 VAL A 342 10.208 6.520 7.279 1.00 0.00 C ATOM 840 CG2 VAL A 342 11.340 6.443 5.141 1.00 0.00 C ATOM 0 H VAL A 342 7.585 6.482 6.247 1.00 0.00 H new ATOM 0 HA VAL A 342 9.178 5.190 4.244 1.00 0.00 H new ATOM 0 HB VAL A 342 9.426 7.356 5.473 1.00 0.00 H new ATOM 0 HG11 VAL A 342 10.879 7.345 7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 342 9.256 6.668 7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 342 10.655 5.583 7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 342 11.941 7.268 5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 342 11.832 5.498 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 342 11.234 6.544 4.061 1.00 0.00 H new ATOM 850 N ALA A 343 8.698 3.774 7.129 1.00 0.00 N ATOM 851 CA ALA A 343 8.754 2.446 7.720 1.00 0.00 C ATOM 852 C ALA A 343 8.048 1.406 6.829 1.00 0.00 C ATOM 853 O ALA A 343 8.423 0.232 6.845 1.00 0.00 O ATOM 854 CB ALA A 343 8.178 2.495 9.127 1.00 0.00 C ATOM 0 H ALA A 343 8.096 4.437 7.616 1.00 0.00 H new ATOM 0 HA ALA A 343 9.793 2.125 7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 343 8.219 1.501 9.572 1.00 0.00 H new ATOM 0 HB2 ALA A 343 8.760 3.188 9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 343 7.142 2.831 9.085 1.00 0.00 H new ATOM 860 N ALA A 344 7.092 1.835 5.991 1.00 0.00 N ATOM 861 CA ALA A 344 6.561 1.008 4.906 1.00 0.00 C ATOM 862 C ALA A 344 7.593 0.768 3.765 1.00 0.00 C ATOM 863 O ALA A 344 7.606 -0.287 3.128 1.00 0.00 O ATOM 864 CB ALA A 344 5.288 1.656 4.351 1.00 0.00 C ATOM 0 H ALA A 344 6.669 2.761 6.049 1.00 0.00 H new ATOM 0 HA ALA A 344 6.332 0.027 5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 344 4.890 1.042 3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 344 4.545 1.737 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 344 5.522 2.650 3.970 1.00 0.00 H new ATOM 870 N MET A 345 8.468 1.754 3.501 1.00 0.00 N ATOM 871 CA MET A 345 9.567 1.765 2.505 1.00 0.00 C ATOM 872 C MET A 345 10.772 0.879 2.872 1.00 0.00 C ATOM 873 O MET A 345 11.932 1.299 2.821 1.00 0.00 O ATOM 874 CB MET A 345 10.031 3.209 2.253 1.00 0.00 C ATOM 875 CG MET A 345 9.036 4.116 1.536 1.00 0.00 C ATOM 876 SD MET A 345 8.398 3.538 -0.054 1.00 0.00 S ATOM 877 CE MET A 345 7.025 2.495 0.495 1.00 0.00 C ATOM 0 H MET A 345 8.427 2.634 4.015 1.00 0.00 H new ATOM 0 HA MET A 345 9.149 1.331 1.597 1.00 0.00 H new ATOM 0 HB2 MET A 345 10.279 3.662 3.213 1.00 0.00 H new ATOM 0 HB3 MET A 345 10.950 3.177 1.668 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.189 4.282 2.201 1.00 0.00 H new ATOM 0 HG3 MET A 345 9.512 5.084 1.379 1.00 0.00 H new ATOM 0 HE1 MET A 345 6.173 2.635 -0.170 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.332 1.449 0.476 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.742 2.771 1.511 1.00 0.00 H new ATOM 887 N SER A 346 10.499 -0.360 3.262 1.00 0.00 N ATOM 888 CA SER A 346 11.479 -1.235 3.925 1.00 0.00 C ATOM 889 C SER A 346 11.605 -2.643 3.327 1.00 0.00 C ATOM 890 O SER A 346 12.587 -3.341 3.602 1.00 0.00 O ATOM 891 CB SER A 346 11.092 -1.298 5.406 1.00 0.00 C ATOM 892 OG SER A 346 9.831 -1.922 5.563 1.00 0.00 O ATOM 0 H SER A 346 9.587 -0.796 3.130 1.00 0.00 H new ATOM 0 HA SER A 346 12.469 -0.804 3.775 1.00 0.00 H new ATOM 0 HB2 SER A 346 11.849 -1.850 5.963 1.00 0.00 H new ATOM 0 HB3 SER A 346 11.061 -0.291 5.823 1.00 0.00 H new ATOM 0 HG SER A 346 9.212 -1.302 6.001 1.00 0.00 H new ATOM 898 N LYS A 347 10.621 -3.071 2.520 1.00 0.00 N ATOM 899 CA LYS A 347 10.345 -4.502 2.256 1.00 0.00 C ATOM 900 C LYS A 347 9.530 -4.842 1.012 1.00 0.00 C ATOM 901 O LYS A 347 9.225 -6.011 0.839 1.00 0.00 O ATOM 902 CB LYS A 347 9.781 -5.090 3.547 1.00 0.00 C ATOM 903 CG LYS A 347 8.482 -4.441 4.018 1.00 0.00 C ATOM 904 CD LYS A 347 7.326 -5.220 3.440 1.00 0.00 C ATOM 905 CE LYS A 347 6.140 -4.665 4.191 1.00 0.00 C ATOM 906 NZ LYS A 347 6.143 -5.100 5.614 1.00 0.00 N ATOM 0 H LYS A 347 9.990 -2.437 2.029 1.00 0.00 H new ATOM 0 HA LYS A 347 11.289 -4.973 1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 347 9.609 -6.156 3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 347 10.529 -4.992 4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 347 8.432 -4.439 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 347 8.438 -3.401 3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 347 7.232 -5.066 2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 347 7.440 -6.292 3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.154 -3.576 4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 347 5.218 -4.993 3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 5.221 -5.518 5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 6.892 -5.807 5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 6.319 -4.279 6.228 1.00 0.00 H new ATOM 920 N ASP A 348 9.208 -3.850 0.182 1.00 0.00 N ATOM 921 CA ASP A 348 8.556 -3.818 -1.149 1.00 0.00 C ATOM 922 C ASP A 348 7.855 -5.056 -1.784 1.00 0.00 C ATOM 923 O ASP A 348 6.796 -4.912 -2.398 1.00 0.00 O ATOM 924 CB ASP A 348 9.584 -3.239 -2.141 1.00 0.00 C ATOM 925 CG ASP A 348 10.715 -4.201 -2.579 1.00 0.00 C ATOM 926 OD1 ASP A 348 11.011 -5.204 -1.889 1.00 0.00 O ATOM 927 OD2 ASP A 348 11.316 -3.985 -3.655 1.00 0.00 O ATOM 0 H ASP A 348 9.430 -2.896 0.465 1.00 0.00 H new ATOM 0 HA ASP A 348 7.667 -3.222 -0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 348 9.052 -2.905 -3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 348 10.038 -2.356 -1.690 1.00 0.00 H new ATOM 932 N ARG A 349 8.394 -6.271 -1.656 1.00 0.00 N ATOM 933 CA ARG A 349 7.926 -7.579 -2.157 1.00 0.00 C ATOM 934 C ARG A 349 6.435 -7.859 -1.991 1.00 0.00 C ATOM 935 O ARG A 349 5.855 -8.719 -2.641 1.00 0.00 O ATOM 936 CB ARG A 349 8.664 -8.694 -1.373 1.00 0.00 C ATOM 937 CG ARG A 349 10.187 -8.651 -1.395 1.00 0.00 C ATOM 938 CD ARG A 349 10.673 -8.867 -2.819 1.00 0.00 C ATOM 939 NE ARG A 349 10.917 -7.589 -3.518 1.00 0.00 N ATOM 940 CZ ARG A 349 11.093 -7.425 -4.814 1.00 0.00 C ATOM 941 NH1 ARG A 349 10.907 -8.393 -5.665 1.00 0.00 N ATOM 942 NH2 ARG A 349 11.452 -6.267 -5.282 1.00 0.00 N ATOM 0 H ARG A 349 9.268 -6.381 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 349 8.132 -7.560 -3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 349 8.337 -8.653 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 349 8.345 -9.658 -1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 349 10.541 -7.691 -1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 349 10.594 -9.420 -0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 349 11.592 -9.454 -2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 349 9.933 -9.447 -3.371 1.00 0.00 H new ATOM 0 HE ARG A 349 10.953 -6.749 -2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 349 10.616 -9.313 -5.335 1.00 0.00 H new ATOM 0 HH12 ARG A 349 11.052 -8.231 -6.661 1.00 0.00 H new ATOM 0 HH21 ARG A 349 11.598 -5.483 -4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 349 11.588 -6.142 -6.285 1.00 0.00 H new ATOM 956 N ALA A 350 5.853 -7.366 -0.923 1.00 0.00 N ATOM 957 CA ALA A 350 5.692 -8.354 0.156 1.00 0.00 C ATOM 958 C ALA A 350 4.224 -8.791 0.362 1.00 0.00 C ATOM 959 O ALA A 350 3.785 -9.148 1.456 1.00 0.00 O ATOM 960 CB ALA A 350 6.381 -7.823 1.408 1.00 0.00 C ATOM 0 H ALA A 350 5.516 -6.416 -0.767 1.00 0.00 H new ATOM 0 HA ALA A 350 6.183 -9.286 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 350 6.271 -8.544 2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 350 7.440 -7.668 1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 350 5.926 -6.877 1.700 1.00 0.00 H new ATOM 966 N ASN A 351 3.466 -8.708 -0.727 1.00 0.00 N ATOM 967 CA ASN A 351 2.022 -8.525 -0.762 1.00 0.00 C ATOM 968 C ASN A 351 1.258 -9.606 -1.533 1.00 0.00 C ATOM 969 O ASN A 351 0.133 -9.957 -1.177 1.00 0.00 O ATOM 970 CB ASN A 351 1.867 -7.213 -1.535 1.00 0.00 C ATOM 971 CG ASN A 351 0.416 -6.883 -1.815 1.00 0.00 C ATOM 972 OD1 ASN A 351 -0.053 -6.906 -2.936 1.00 0.00 O ATOM 973 ND2 ASN A 351 -0.363 -6.625 -0.804 1.00 0.00 N ATOM 0 H ASN A 351 3.868 -8.771 -1.662 1.00 0.00 H new ATOM 0 HA ASN A 351 1.619 -8.552 0.250 1.00 0.00 H new ATOM 0 HB2 ASN A 351 2.319 -6.402 -0.965 1.00 0.00 H new ATOM 0 HB3 ASN A 351 2.411 -7.282 -2.477 1.00 0.00 H new ATOM 0 HD21 ASN A 351 -1.355 -6.445 -0.958 1.00 0.00 H new ATOM 0 HD22 ASN A 351 0.019 -6.603 0.142 1.00 0.00 H new ATOM 980 N MET A 352 1.865 -10.059 -2.632 1.00 0.00 N ATOM 981 CA MET A 352 1.151 -10.802 -3.699 1.00 0.00 C ATOM 982 C MET A 352 1.889 -12.037 -4.256 1.00 0.00 C ATOM 983 O MET A 352 2.044 -12.228 -5.457 1.00 0.00 O ATOM 984 CB MET A 352 0.628 -9.863 -4.779 1.00 0.00 C ATOM 985 CG MET A 352 1.588 -8.940 -5.514 1.00 0.00 C ATOM 986 SD MET A 352 2.607 -9.580 -6.871 1.00 0.00 S ATOM 987 CE MET A 352 1.335 -9.800 -8.146 1.00 0.00 C ATOM 0 H MET A 352 2.859 -9.928 -2.817 1.00 0.00 H new ATOM 0 HA MET A 352 0.286 -11.246 -3.207 1.00 0.00 H new ATOM 0 HB2 MET A 352 0.130 -10.477 -5.529 1.00 0.00 H new ATOM 0 HB3 MET A 352 -0.137 -9.237 -4.321 1.00 0.00 H new ATOM 0 HG2 MET A 352 1.000 -8.113 -5.913 1.00 0.00 H new ATOM 0 HG3 MET A 352 2.266 -8.520 -4.771 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.804 -10.122 -9.076 1.00 0.00 H new ATOM 0 HE2 MET A 352 0.619 -10.555 -7.820 1.00 0.00 H new ATOM 0 HE3 MET A 352 0.817 -8.855 -8.310 1.00 0.00 H new ATOM 997 N GLN A 353 2.384 -12.936 -3.413 1.00 0.00 N ATOM 998 CA GLN A 353 1.996 -13.175 -2.007 1.00 0.00 C ATOM 999 C GLN A 353 3.272 -13.286 -1.137 1.00 0.00 C ATOM 1000 O GLN A 353 3.363 -14.065 -0.187 1.00 0.00 O ATOM 1001 CB GLN A 353 1.063 -14.399 -2.017 1.00 0.00 C ATOM 1002 CG GLN A 353 -0.281 -14.120 -2.716 1.00 0.00 C ATOM 1003 CD GLN A 353 -1.379 -13.603 -1.788 1.00 0.00 C ATOM 1004 OE1 GLN A 353 -1.171 -12.805 -0.885 1.00 0.00 O ATOM 1005 NE2 GLN A 353 -2.605 -14.038 -1.976 1.00 0.00 N ATOM 0 H GLN A 353 3.125 -13.572 -3.707 1.00 0.00 H new ATOM 0 HA GLN A 353 1.439 -12.358 -1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 353 1.563 -15.227 -2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 353 0.875 -14.715 -0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 353 -0.119 -13.390 -3.510 1.00 0.00 H new ATOM 0 HG3 GLN A 353 -0.627 -15.038 -3.192 1.00 0.00 H new ATOM 0 HE21 GLN A 353 -2.801 -14.704 -2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 353 -3.361 -13.710 -1.374 1.00 0.00 H new ATOM 1014 N HIS A 354 4.259 -12.493 -1.576 1.00 0.00 N ATOM 1015 CA HIS A 354 5.699 -12.390 -1.313 1.00 0.00 C ATOM 1016 C HIS A 354 6.405 -12.448 -2.685 1.00 0.00 C ATOM 1017 O HIS A 354 6.935 -13.481 -3.104 1.00 0.00 O ATOM 1018 CB HIS A 354 6.270 -13.368 -0.277 1.00 0.00 C ATOM 1019 CG HIS A 354 7.725 -13.061 -0.015 1.00 0.00 C ATOM 1020 ND1 HIS A 354 8.812 -13.793 -0.439 1.00 0.00 N ATOM 1021 CD2 HIS A 354 8.211 -11.906 0.539 1.00 0.00 C ATOM 1022 CE1 HIS A 354 9.926 -13.105 -0.139 1.00 0.00 C ATOM 1023 NE2 HIS A 354 9.610 -11.943 0.464 1.00 0.00 N ATOM 0 H HIS A 354 4.009 -11.773 -2.254 1.00 0.00 H new ATOM 0 HA HIS A 354 5.893 -11.441 -0.813 1.00 0.00 H new ATOM 0 HB2 HIS A 354 5.703 -13.297 0.651 1.00 0.00 H new ATOM 0 HB3 HIS A 354 6.166 -14.392 -0.637 1.00 0.00 H new ATOM 0 HD2 HIS A 354 7.619 -11.107 0.960 1.00 0.00 H new ATOM 0 HE1 HIS A 354 10.932 -13.436 -0.351 1.00 0.00 H new ATOM 0 HE2 HIS A 354 10.259 -11.232 0.799 1.00 0.00 H new ATOM 1031 N ARG A 355 6.264 -11.350 -3.438 1.00 0.00 N ATOM 1032 CA ARG A 355 6.606 -11.217 -4.868 1.00 0.00 C ATOM 1033 C ARG A 355 7.032 -9.778 -5.185 1.00 0.00 C ATOM 1034 O ARG A 355 8.221 -9.521 -5.022 1.00 0.00 O ATOM 1035 CB ARG A 355 5.444 -11.756 -5.720 1.00 0.00 C ATOM 1036 CG ARG A 355 5.778 -11.823 -7.218 1.00 0.00 C ATOM 1037 CD ARG A 355 4.654 -12.533 -7.978 1.00 0.00 C ATOM 1038 NE ARG A 355 4.946 -12.626 -9.421 1.00 0.00 N ATOM 1039 CZ ARG A 355 4.139 -13.105 -10.351 1.00 0.00 C ATOM 1040 NH1 ARG A 355 2.944 -13.546 -10.071 1.00 0.00 N ATOM 1041 NH2 ARG A 355 4.523 -13.155 -11.595 1.00 0.00 N ATOM 0 H ARG A 355 5.890 -10.484 -3.051 1.00 0.00 H new ATOM 0 HA ARG A 355 7.474 -11.826 -5.123 1.00 0.00 H new ATOM 0 HB2 ARG A 355 5.175 -12.752 -5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 355 4.570 -11.120 -5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 355 5.915 -10.816 -7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 355 6.719 -12.354 -7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 355 4.514 -13.534 -7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 355 3.718 -11.995 -7.830 1.00 0.00 H new ATOM 0 HE ARG A 355 5.858 -12.288 -9.730 1.00 0.00 H new ATOM 0 HH11 ARG A 355 2.606 -13.528 -9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 355 2.347 -13.909 -10.814 1.00 0.00 H new ATOM 0 HH21 ARG A 355 5.452 -12.823 -11.856 1.00 0.00 H new ATOM 0 HH22 ARG A 355 3.895 -13.526 -12.308 1.00 0.00 H new ATOM 1055 N TYR A 356 6.121 -8.849 -5.537 1.00 0.00 N ATOM 1056 CA TYR A 356 6.344 -7.381 -5.491 1.00 0.00 C ATOM 1057 C TYR A 356 5.134 -6.498 -5.819 1.00 0.00 C ATOM 1058 O TYR A 356 4.285 -6.842 -6.638 1.00 0.00 O ATOM 1059 CB TYR A 356 7.492 -6.987 -6.438 1.00 0.00 C ATOM 1060 CG TYR A 356 7.767 -5.508 -6.601 1.00 0.00 C ATOM 1061 CD1 TYR A 356 8.461 -4.811 -5.593 1.00 0.00 C ATOM 1062 CD2 TYR A 356 7.355 -4.839 -7.770 1.00 0.00 C ATOM 1063 CE1 TYR A 356 8.877 -3.486 -5.836 1.00 0.00 C ATOM 1064 CE2 TYR A 356 7.728 -3.502 -7.987 1.00 0.00 C ATOM 1065 CZ TYR A 356 8.517 -2.829 -7.031 1.00 0.00 C ATOM 1066 OH TYR A 356 8.913 -1.545 -7.239 1.00 0.00 O ATOM 0 H TYR A 356 5.189 -9.098 -5.869 1.00 0.00 H new ATOM 0 HA TYR A 356 6.580 -7.191 -4.444 1.00 0.00 H new ATOM 0 HB2 TYR A 356 8.405 -7.465 -6.082 1.00 0.00 H new ATOM 0 HB3 TYR A 356 7.278 -7.403 -7.422 1.00 0.00 H new ATOM 0 HD1 TYR A 356 8.672 -5.285 -4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 356 6.751 -5.355 -8.501 1.00 0.00 H new ATOM 0 HE1 TYR A 356 9.476 -2.970 -5.101 1.00 0.00 H new ATOM 0 HE2 TYR A 356 7.411 -2.991 -8.884 1.00 0.00 H new ATOM 0 HH TYR A 356 8.260 -1.090 -7.810 1.00 0.00 H new ATOM 1076 N ILE A 357 5.147 -5.294 -5.234 1.00 0.00 N ATOM 1077 CA ILE A 357 4.310 -4.140 -5.573 1.00 0.00 C ATOM 1078 C ILE A 357 5.190 -2.890 -5.640 1.00 0.00 C ATOM 1079 O ILE A 357 6.119 -2.728 -4.849 1.00 0.00 O ATOM 1080 CB ILE A 357 3.247 -3.923 -4.482 1.00 0.00 C ATOM 1081 CG1 ILE A 357 2.326 -5.139 -4.297 1.00 0.00 C ATOM 1082 CG2 ILE A 357 2.406 -2.661 -4.729 1.00 0.00 C ATOM 1083 CD1 ILE A 357 1.358 -5.375 -5.464 1.00 0.00 C ATOM 0 H ILE A 357 5.783 -5.088 -4.463 1.00 0.00 H new ATOM 0 HA ILE A 357 3.823 -4.322 -6.531 1.00 0.00 H new ATOM 0 HB ILE A 357 3.809 -3.786 -3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 357 2.940 -6.029 -4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 357 1.749 -5.009 -3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 357 1.670 -2.552 -3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 357 3.057 -1.787 -4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 357 1.893 -2.747 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 357 0.744 -6.251 -5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 357 0.716 -4.503 -5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 357 1.926 -5.539 -6.380 1.00 0.00 H new ATOM 1095 N GLU A 358 4.830 -1.962 -6.523 1.00 0.00 N ATOM 1096 CA GLU A 358 5.395 -0.610 -6.596 1.00 0.00 C ATOM 1097 C GLU A 358 5.007 0.237 -5.379 1.00 0.00 C ATOM 1098 O GLU A 358 4.139 1.107 -5.455 1.00 0.00 O ATOM 1099 CB GLU A 358 4.962 0.082 -7.906 1.00 0.00 C ATOM 1100 CG GLU A 358 5.230 -0.657 -9.229 1.00 0.00 C ATOM 1101 CD GLU A 358 6.533 -0.202 -9.909 1.00 0.00 C ATOM 1102 OE1 GLU A 358 7.629 -0.415 -9.337 1.00 0.00 O ATOM 1103 OE2 GLU A 358 6.473 0.362 -11.030 1.00 0.00 O ATOM 0 H GLU A 358 4.115 -2.132 -7.231 1.00 0.00 H new ATOM 0 HA GLU A 358 6.481 -0.704 -6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 358 3.892 0.279 -7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 358 5.462 1.049 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 358 5.280 -1.729 -9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 358 4.394 -0.493 -9.908 1.00 0.00 H new ATOM 1110 N LEU A 359 5.647 -0.048 -4.245 1.00 0.00 N ATOM 1111 CA LEU A 359 5.543 0.692 -2.998 1.00 0.00 C ATOM 1112 C LEU A 359 6.453 1.922 -2.973 1.00 0.00 C ATOM 1113 O LEU A 359 7.678 1.777 -2.938 1.00 0.00 O ATOM 1114 CB LEU A 359 5.937 -0.261 -1.863 1.00 0.00 C ATOM 1115 CG LEU A 359 4.998 -1.445 -1.564 1.00 0.00 C ATOM 1116 CD1 LEU A 359 5.403 -1.962 -0.186 1.00 0.00 C ATOM 1117 CD2 LEU A 359 3.540 -1.013 -1.720 1.00 0.00 C ATOM 0 H LEU A 359 6.283 -0.842 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 359 4.521 1.054 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 359 6.923 -0.665 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 359 6.036 0.327 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 359 5.090 -2.272 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 359 4.771 -2.807 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.445 -2.281 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 359 5.283 -1.167 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 359 2.885 -1.858 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 359 3.324 -0.202 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.369 -0.671 -2.741 1.00 0.00 H new ATOM 1129 N PHE A 360 5.859 3.123 -2.948 1.00 0.00 N ATOM 1130 CA PHE A 360 6.607 4.384 -3.025 1.00 0.00 C ATOM 1131 C PHE A 360 5.970 5.559 -2.276 1.00 0.00 C ATOM 1132 O PHE A 360 4.791 5.880 -2.452 1.00 0.00 O ATOM 1133 CB PHE A 360 6.792 4.764 -4.495 1.00 0.00 C ATOM 1134 CG PHE A 360 7.772 3.864 -5.210 1.00 0.00 C ATOM 1135 CD1 PHE A 360 9.154 4.059 -5.042 1.00 0.00 C ATOM 1136 CD2 PHE A 360 7.299 2.749 -5.927 1.00 0.00 C ATOM 1137 CE1 PHE A 360 10.065 3.136 -5.581 1.00 0.00 C ATOM 1138 CE2 PHE A 360 8.214 1.839 -6.482 1.00 0.00 C ATOM 1139 CZ PHE A 360 9.596 2.030 -6.311 1.00 0.00 C ATOM 0 H PHE A 360 4.849 3.247 -2.874 1.00 0.00 H new ATOM 0 HA PHE A 360 7.559 4.199 -2.528 1.00 0.00 H new ATOM 0 HB2 PHE A 360 5.828 4.720 -5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.139 5.795 -4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.515 4.919 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 360 6.237 2.594 -6.050 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.126 3.276 -5.435 1.00 0.00 H new ATOM 0 HE2 PHE A 360 7.854 0.989 -7.043 1.00 0.00 H new ATOM 0 HZ PHE A 360 10.296 1.328 -6.740 1.00 0.00 H new ATOM 1149 N LEU A 361 6.803 6.261 -1.498 1.00 0.00 N ATOM 1150 CA LEU A 361 6.499 7.588 -0.956 1.00 0.00 C ATOM 1151 C LEU A 361 6.218 8.599 -2.064 1.00 0.00 C ATOM 1152 O LEU A 361 6.751 8.528 -3.174 1.00 0.00 O ATOM 1153 CB LEU A 361 7.686 8.118 -0.124 1.00 0.00 C ATOM 1154 CG LEU A 361 7.855 7.434 1.223 1.00 0.00 C ATOM 1155 CD1 LEU A 361 9.270 7.576 1.790 1.00 0.00 C ATOM 1156 CD2 LEU A 361 6.932 8.059 2.251 1.00 0.00 C ATOM 0 H LEU A 361 7.723 5.915 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 361 5.612 7.476 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 361 8.603 7.994 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.553 9.188 0.038 1.00 0.00 H new ATOM 0 HG LEU A 361 7.630 6.383 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.329 7.068 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.985 7.130 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.505 8.632 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 361 7.064 7.559 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 361 7.170 9.117 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.898 7.951 1.925 1.00 0.00 H new ATOM 1168 N ASN A 362 5.409 9.586 -1.699 1.00 0.00 N ATOM 1169 CA ASN A 362 5.014 10.697 -2.557 1.00 0.00 C ATOM 1170 C ASN A 362 4.744 11.986 -1.755 1.00 0.00 C ATOM 1171 O ASN A 362 4.150 12.936 -2.273 1.00 0.00 O ATOM 1172 CB ASN A 362 3.818 10.195 -3.379 1.00 0.00 C ATOM 1173 CG ASN A 362 2.589 9.825 -2.566 1.00 0.00 C ATOM 1174 OD1 ASN A 362 1.931 10.659 -1.962 1.00 0.00 O ATOM 1175 ND2 ASN A 362 2.239 8.560 -2.543 1.00 0.00 N ATOM 0 H ASN A 362 4.996 9.637 -0.768 1.00 0.00 H new ATOM 0 HA ASN A 362 5.817 10.994 -3.231 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.541 10.967 -4.097 1.00 0.00 H new ATOM 0 HB3 ASN A 362 4.131 9.323 -3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.414 8.269 -2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 362 2.792 7.869 -3.049 1.00 0.00 H new ATOM 1182 N SER A 363 5.163 12.005 -0.481 1.00 0.00 N ATOM 1183 CA SER A 363 4.630 12.925 0.538 1.00 0.00 C ATOM 1184 C SER A 363 5.671 13.445 1.548 1.00 0.00 C ATOM 1185 O SER A 363 6.824 13.006 1.569 1.00 0.00 O ATOM 1186 CB SER A 363 3.521 12.171 1.283 1.00 0.00 C ATOM 1187 OG SER A 363 2.291 12.237 0.593 1.00 0.00 O ATOM 0 H SER A 363 5.886 11.379 -0.125 1.00 0.00 H new ATOM 0 HA SER A 363 4.270 13.816 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 363 3.812 11.128 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 363 3.402 12.592 2.281 1.00 0.00 H new ATOM 0 HG SER A 363 2.335 11.676 -0.209 1.00 0.00 H new ATOM 1193 N THR A 364 5.233 14.352 2.436 1.00 0.00 N ATOM 1194 CA THR A 364 6.010 14.976 3.536 1.00 0.00 C ATOM 1195 C THR A 364 5.244 14.865 4.866 1.00 0.00 C ATOM 1196 O THR A 364 4.014 14.843 4.868 1.00 0.00 O ATOM 1197 CB THR A 364 6.265 16.464 3.220 1.00 0.00 C ATOM 1198 OG1 THR A 364 6.872 16.607 1.951 1.00 0.00 O ATOM 1199 CG2 THR A 364 7.199 17.156 4.215 1.00 0.00 C ATOM 0 H THR A 364 4.272 14.694 2.410 1.00 0.00 H new ATOM 0 HA THR A 364 6.961 14.451 3.627 1.00 0.00 H new ATOM 0 HB THR A 364 5.280 16.928 3.268 1.00 0.00 H new ATOM 0 HG1 THR A 364 7.025 17.557 1.767 1.00 0.00 H new ATOM 0 HG21 THR A 364 7.330 18.199 3.926 1.00 0.00 H new ATOM 0 HG22 THR A 364 6.766 17.108 5.214 1.00 0.00 H new ATOM 0 HG23 THR A 364 8.167 16.655 4.214 1.00 0.00 H new ATOM 1207 N THR A 365 5.942 14.753 6.003 1.00 0.00 N ATOM 1208 CA THR A 365 5.349 14.812 7.361 1.00 0.00 C ATOM 1209 C THR A 365 4.616 16.147 7.595 1.00 0.00 C ATOM 1210 O THR A 365 5.226 17.221 7.608 1.00 0.00 O ATOM 1211 CB THR A 365 6.397 14.504 8.449 1.00 0.00 C ATOM 1212 OG1 THR A 365 5.805 14.626 9.720 1.00 0.00 O ATOM 1213 CG2 THR A 365 7.681 15.338 8.426 1.00 0.00 C ATOM 0 H THR A 365 6.953 14.616 6.014 1.00 0.00 H new ATOM 0 HA THR A 365 4.594 14.029 7.434 1.00 0.00 H new ATOM 0 HB THR A 365 6.718 13.486 8.226 1.00 0.00 H new ATOM 0 HG1 THR A 365 6.471 14.429 10.411 1.00 0.00 H new ATOM 0 HG21 THR A 365 8.334 15.024 9.241 1.00 0.00 H new ATOM 0 HG22 THR A 365 8.192 15.192 7.475 1.00 0.00 H new ATOM 0 HG23 THR A 365 7.432 16.392 8.547 1.00 0.00 H new ATOM 1221 N GLY A 366 3.287 16.090 7.724 1.00 0.00 N ATOM 1222 CA GLY A 366 2.413 17.250 7.930 1.00 0.00 C ATOM 1223 C GLY A 366 0.888 17.004 7.868 1.00 0.00 C ATOM 1224 O GLY A 366 0.185 17.826 7.280 1.00 0.00 O ATOM 0 H GLY A 366 2.774 15.209 7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 366 2.647 17.681 8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 366 2.665 18.000 7.181 1.00 0.00 H new ATOM 1228 N ALA A 367 0.296 15.919 8.391 1.00 0.00 N ATOM 1229 CA ALA A 367 0.881 14.765 9.085 1.00 0.00 C ATOM 1230 C ALA A 367 1.067 13.605 8.094 1.00 0.00 C ATOM 1231 O ALA A 367 0.087 12.882 7.803 1.00 0.00 O ATOM 1232 CB ALA A 367 -0.014 14.398 10.280 1.00 0.00 C ATOM 0 H ALA A 367 -0.717 15.820 8.330 1.00 0.00 H new ATOM 0 HA ALA A 367 1.870 15.004 9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 367 0.411 13.541 10.803 1.00 0.00 H new ATOM 0 HB2 ALA A 367 -0.076 15.246 10.962 1.00 0.00 H new ATOM 0 HB3 ALA A 367 -1.013 14.146 9.923 1.00 0.00 H new TER 1238 ALA A 367