USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 615 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 419 THR OG1 : rot -105:sc= 0.709 USER MOD Set 1.2: A 442 LYS NZ :NH3+ 177:sc= 1.18 (180deg=0) USER MOD Set 2.1: A 407 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 413 HIS : no HD1:sc= -0.364 K(o=-0.36,f=-1.7) USER MOD Set 3.1: A 374 TYR OH : rot 180:sc= -0.451 USER MOD Set 3.2: A 384 GLN : amide:sc= 0.525 K(o=0.074,f=-0.87) USER MOD Set 4.1: A 363 MET CE :methyl 177:sc= -1.43 (180deg=-0.999) USER MOD Set 4.2: A 365 THR OG1 : rot 62:sc= -1.04 USER MOD Set 4.3: A 426 ASN :FLIP amide:sc= -1.5 F(o=-5.1!,f=-4) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ -170:sc= -0.0284 (180deg=-0.186) USER MOD Single : A 366 LYS NZ :NH3+ -145:sc= 0.368 (180deg=0.0478) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot -120:sc= -1.11 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 381 ASN :FLIP amide:sc= -1.02 F(o=-2.5!,f=-1) USER MOD Single : A 386 SER OG : rot 76:sc= 1.27 USER MOD Single : A 391 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 394 SER OG : rot 180:sc= -0.0797 USER MOD Single : A 395 GLN :FLIP amide:sc= -2.42 F(o=-4.1!,f=-2.4) USER MOD Single : A 398 ASN : amide:sc= 0.674 K(o=0.67,f=-0.2) USER MOD Single : A 401 LYS NZ :NH3+ -177:sc= 0.57 (180deg=0.492) USER MOD Single : A 402 TYR OH : rot -70:sc= -2.63 USER MOD Single : A 404 ASN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 406 GLN : amide:sc= -0.902 X(o=-0.9,f=-0.6) USER MOD Single : A 410 ASN : amide:sc= -1.36! C(o=-1.4!,f=-7.5!) USER MOD Single : A 415 SER OG : rot 180:sc= -0.13 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= 1.19 K(o=1.2,f=-0.17) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 439 TYR OH : rot 180:sc= 0 USER MOD Single : A 443 MET CE :methyl 152:sc= -0.471 (180deg=-2.29) USER MOD Single : A 444 LYS NZ :NH3+ -140:sc= 1.01 (180deg=-1.01) USER MOD Single : A 445 SER OG : rot 180:sc= -0.56 USER MOD Single : A 450 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 7.644 15.260 5.325 1.00 21.34 N ATOM 2 CA TYR A 357 7.379 13.821 5.222 1.00 4.10 C ATOM 3 C TYR A 357 7.661 13.331 3.820 1.00 74.40 C ATOM 4 O TYR A 357 7.244 13.960 2.854 1.00 43.21 O ATOM 5 CB TYR A 357 5.924 13.495 5.537 1.00 64.41 C ATOM 6 CG TYR A 357 5.437 13.825 6.927 1.00 0.41 C ATOM 7 CD1 TYR A 357 5.912 13.138 8.029 1.00 33.04 C ATOM 8 CD2 TYR A 357 4.473 14.804 7.130 1.00 31.15 C ATOM 9 CE1 TYR A 357 5.449 13.416 9.295 1.00 31.34 C ATOM 10 CE2 TYR A 357 3.997 15.081 8.393 1.00 70.23 C ATOM 11 CZ TYR A 357 4.490 14.385 9.473 1.00 74.15 C ATOM 12 OH TYR A 357 4.013 14.653 10.731 1.00 50.31 O ATOM 0 HA TYR A 357 8.031 13.329 5.944 1.00 4.10 H new ATOM 0 HB2 TYR A 357 5.295 14.025 4.822 1.00 64.41 H new ATOM 0 HB3 TYR A 357 5.771 12.429 5.368 1.00 64.41 H new ATOM 0 HD1 TYR A 357 6.659 12.370 7.894 1.00 33.04 H new ATOM 0 HD2 TYR A 357 4.091 15.357 6.285 1.00 31.15 H new ATOM 0 HE1 TYR A 357 5.837 12.875 10.145 1.00 31.34 H new ATOM 0 HE2 TYR A 357 3.242 15.840 8.535 1.00 70.23 H new ATOM 0 HH TYR A 357 3.341 15.365 10.681 1.00 50.31 H new ATOM 24 N ARG A 358 8.359 12.219 3.707 1.00 75.52 N ATOM 25 CA ARG A 358 8.621 11.595 2.422 1.00 3.15 C ATOM 26 C ARG A 358 8.488 10.088 2.502 1.00 4.41 C ATOM 27 O ARG A 358 8.216 9.529 3.561 1.00 40.23 O ATOM 28 CB ARG A 358 10.016 11.918 1.885 1.00 73.04 C ATOM 29 CG ARG A 358 10.252 13.334 1.444 1.00 22.33 C ATOM 30 CD ARG A 358 11.625 13.432 0.827 1.00 31.14 C ATOM 31 NE ARG A 358 11.901 14.737 0.269 1.00 34.53 N ATOM 32 CZ ARG A 358 12.656 14.947 -0.807 1.00 53.44 C ATOM 33 NH1 ARG A 358 13.194 13.914 -1.471 1.00 2.43 N ATOM 34 NH2 ARG A 358 12.856 16.179 -1.231 1.00 71.12 N ATOM 0 H ARG A 358 8.761 11.721 4.501 1.00 75.52 H new ATOM 0 HA ARG A 358 7.874 12.005 1.742 1.00 3.15 H new ATOM 0 HB2 ARG A 358 10.744 11.676 2.659 1.00 73.04 H new ATOM 0 HB3 ARG A 358 10.218 11.259 1.040 1.00 73.04 H new ATOM 0 HG2 ARG A 358 9.492 13.636 0.723 1.00 22.33 H new ATOM 0 HG3 ARG A 358 10.172 14.012 2.294 1.00 22.33 H new ATOM 0 HD2 ARG A 358 12.375 13.200 1.583 1.00 31.14 H new ATOM 0 HD3 ARG A 358 11.720 12.680 0.043 1.00 31.14 H new ATOM 0 HE ARG A 358 11.491 15.549 0.730 1.00 34.53 H new ATOM 0 HH11 ARG A 358 13.026 12.960 -1.152 1.00 2.43 H new ATOM 0 HH12 ARG A 358 13.771 14.082 -2.295 1.00 2.43 H new ATOM 0 HH21 ARG A 358 12.433 16.964 -0.735 1.00 71.12 H new ATOM 0 HH22 ARG A 358 13.433 16.347 -2.055 1.00 71.12 H new ATOM 46 N ALA A 359 8.691 9.461 1.373 1.00 52.43 N ATOM 47 CA ALA A 359 8.698 8.032 1.216 1.00 31.40 C ATOM 48 C ALA A 359 9.768 7.697 0.192 1.00 64.41 C ATOM 49 O ALA A 359 10.102 8.548 -0.650 1.00 21.53 O ATOM 50 CB ALA A 359 7.335 7.508 0.793 1.00 63.20 C ATOM 0 H ALA A 359 8.864 9.957 0.498 1.00 52.43 H new ATOM 0 HA ALA A 359 8.920 7.548 2.167 1.00 31.40 H new ATOM 0 HB1 ALA A 359 7.379 6.424 0.684 1.00 63.20 H new ATOM 0 HB2 ALA A 359 6.595 7.767 1.550 1.00 63.20 H new ATOM 0 HB3 ALA A 359 7.052 7.957 -0.159 1.00 63.20 H new ATOM 56 N ILE A 360 10.332 6.514 0.262 1.00 33.44 N ATOM 57 CA ILE A 360 11.434 6.155 -0.619 1.00 50.35 C ATOM 58 C ILE A 360 10.859 5.752 -1.972 1.00 45.41 C ATOM 59 O ILE A 360 9.963 4.928 -2.039 1.00 24.11 O ATOM 60 CB ILE A 360 12.240 4.939 -0.052 1.00 50.41 C ATOM 61 CG1 ILE A 360 12.643 5.161 1.422 1.00 12.34 C ATOM 62 CG2 ILE A 360 13.479 4.663 -0.903 1.00 40.33 C ATOM 63 CD1 ILE A 360 13.497 6.391 1.678 1.00 23.42 C ATOM 0 H ILE A 360 10.052 5.782 0.915 1.00 33.44 H new ATOM 0 HA ILE A 360 12.102 7.012 -0.705 1.00 50.35 H new ATOM 0 HB ILE A 360 11.585 4.069 -0.094 1.00 50.41 H new ATOM 0 HG12 ILE A 360 11.737 5.235 2.023 1.00 12.34 H new ATOM 0 HG13 ILE A 360 13.185 4.282 1.771 1.00 12.34 H new ATOM 0 HG21 ILE A 360 14.023 3.814 -0.489 1.00 40.33 H new ATOM 0 HG22 ILE A 360 13.175 4.436 -1.925 1.00 40.33 H new ATOM 0 HG23 ILE A 360 14.124 5.542 -0.903 1.00 40.33 H new ATOM 0 HD11 ILE A 360 13.727 6.459 2.741 1.00 23.42 H new ATOM 0 HD12 ILE A 360 14.424 6.315 1.110 1.00 23.42 H new ATOM 0 HD13 ILE A 360 12.953 7.283 1.367 1.00 23.42 H new ATOM 70 N LYS A 361 11.355 6.358 -3.035 1.00 74.12 N ATOM 71 CA LYS A 361 10.860 6.066 -4.370 1.00 11.42 C ATOM 72 C LYS A 361 11.303 4.683 -4.833 1.00 72.02 C ATOM 73 O LYS A 361 12.493 4.342 -4.769 1.00 65.30 O ATOM 74 CB LYS A 361 11.246 7.152 -5.411 1.00 14.34 C ATOM 75 CG LYS A 361 10.576 8.528 -5.243 1.00 5.32 C ATOM 76 CD LYS A 361 10.988 9.257 -3.974 1.00 2.33 C ATOM 77 CE LYS A 361 10.242 10.582 -3.822 1.00 71.51 C ATOM 78 NZ LYS A 361 10.471 11.496 -4.966 1.00 40.10 N ATOM 0 H LYS A 361 12.099 7.055 -3.001 1.00 74.12 H new ATOM 0 HA LYS A 361 9.772 6.075 -4.301 1.00 11.42 H new ATOM 0 HB2 LYS A 361 12.326 7.291 -5.375 1.00 14.34 H new ATOM 0 HB3 LYS A 361 11.006 6.774 -6.405 1.00 14.34 H new ATOM 0 HG2 LYS A 361 10.821 9.149 -6.104 1.00 5.32 H new ATOM 0 HG3 LYS A 361 9.494 8.398 -5.242 1.00 5.32 H new ATOM 0 HD2 LYS A 361 10.789 8.625 -3.109 1.00 2.33 H new ATOM 0 HD3 LYS A 361 12.062 9.443 -3.992 1.00 2.33 H new ATOM 0 HE2 LYS A 361 9.174 10.385 -3.726 1.00 71.51 H new ATOM 0 HE3 LYS A 361 10.560 11.071 -2.901 1.00 71.51 H new ATOM 0 HZ1 LYS A 361 10.087 12.436 -4.741 1.00 40.10 H new ATOM 0 HZ2 LYS A 361 11.492 11.573 -5.150 1.00 40.10 H new ATOM 0 HZ3 LYS A 361 9.995 11.121 -5.811 1.00 40.10 H new ATOM 92 N GLY A 362 10.333 3.896 -5.276 1.00 24.10 N ATOM 93 CA GLY A 362 10.555 2.562 -5.717 1.00 0.15 C ATOM 94 C GLY A 362 10.763 1.647 -4.555 1.00 31.15 C ATOM 95 O GLY A 362 9.806 1.258 -3.882 1.00 34.13 O ATOM 0 H GLY A 362 9.358 4.190 -5.333 1.00 24.10 H new ATOM 0 HA2 GLY A 362 9.703 2.222 -6.305 1.00 0.15 H new ATOM 0 HA3 GLY A 362 11.426 2.531 -6.371 1.00 0.15 H new ATOM 99 N MET A 363 12.016 1.386 -4.324 1.00 31.30 N ATOM 100 CA MET A 363 12.630 0.509 -3.273 1.00 23.13 C ATOM 101 C MET A 363 12.028 -0.942 -3.155 1.00 31.34 C ATOM 102 O MET A 363 12.788 -1.915 -3.090 1.00 72.31 O ATOM 103 CB MET A 363 12.734 1.255 -1.918 1.00 12.40 C ATOM 104 CG MET A 363 13.741 0.661 -0.902 1.00 35.13 C ATOM 105 SD MET A 363 13.255 -0.897 -0.147 1.00 5.44 S ATOM 106 CE MET A 363 11.849 -0.358 0.800 1.00 40.22 C ATOM 0 H MET A 363 12.739 1.808 -4.907 1.00 31.30 H new ATOM 0 HA MET A 363 13.643 0.307 -3.620 1.00 23.13 H new ATOM 0 HB2 MET A 363 13.012 2.291 -2.114 1.00 12.40 H new ATOM 0 HB3 MET A 363 11.747 1.272 -1.456 1.00 12.40 H new ATOM 0 HG2 MET A 363 14.697 0.517 -1.406 1.00 35.13 H new ATOM 0 HG3 MET A 363 13.905 1.392 -0.110 1.00 35.13 H new ATOM 0 HE1 MET A 363 11.391 -1.216 1.292 1.00 40.22 H new ATOM 0 HE2 MET A 363 12.171 0.363 1.552 1.00 40.22 H new ATOM 0 HE3 MET A 363 11.122 0.110 0.137 1.00 40.22 H new ATOM 116 N GLU A 364 10.694 -1.049 -3.162 1.00 73.33 N ATOM 117 CA GLU A 364 9.923 -2.302 -3.037 1.00 31.45 C ATOM 118 C GLU A 364 9.849 -2.791 -1.592 1.00 22.31 C ATOM 119 O GLU A 364 10.848 -3.177 -0.994 1.00 72.52 O ATOM 120 CB GLU A 364 10.411 -3.426 -3.978 1.00 61.24 C ATOM 121 CG GLU A 364 9.588 -4.705 -3.870 1.00 63.33 C ATOM 122 CD GLU A 364 10.115 -5.825 -4.724 1.00 2.14 C ATOM 123 OE1 GLU A 364 9.798 -5.883 -5.916 1.00 52.30 O ATOM 124 OE2 GLU A 364 10.838 -6.683 -4.204 1.00 51.14 O ATOM 0 H GLU A 364 10.092 -0.232 -3.259 1.00 73.33 H new ATOM 0 HA GLU A 364 8.913 -2.047 -3.360 1.00 31.45 H new ATOM 0 HB2 GLU A 364 10.379 -3.068 -5.007 1.00 61.24 H new ATOM 0 HB3 GLU A 364 11.453 -3.653 -3.752 1.00 61.24 H new ATOM 0 HG2 GLU A 364 9.568 -5.029 -2.830 1.00 63.33 H new ATOM 0 HG3 GLU A 364 8.558 -4.492 -4.157 1.00 63.33 H new ATOM 131 N THR A 365 8.668 -2.773 -1.042 1.00 21.10 N ATOM 132 CA THR A 365 8.441 -3.221 0.313 1.00 22.22 C ATOM 133 C THR A 365 7.462 -4.391 0.299 1.00 52.11 C ATOM 134 O THR A 365 6.485 -4.366 -0.441 1.00 63.04 O ATOM 135 CB THR A 365 7.879 -2.064 1.161 1.00 71.35 C ATOM 136 OG1 THR A 365 8.770 -0.965 1.084 1.00 50.03 O ATOM 137 CG2 THR A 365 7.706 -2.471 2.608 1.00 40.43 C ATOM 0 H THR A 365 7.828 -2.446 -1.519 1.00 21.10 H new ATOM 0 HA THR A 365 9.383 -3.547 0.753 1.00 22.22 H new ATOM 0 HB THR A 365 6.899 -1.792 0.769 1.00 71.35 H new ATOM 0 HG1 THR A 365 8.834 -0.660 0.155 1.00 50.03 H new ATOM 0 HG21 THR A 365 7.308 -1.631 3.177 1.00 40.43 H new ATOM 0 HG22 THR A 365 7.014 -3.311 2.669 1.00 40.43 H new ATOM 0 HG23 THR A 365 8.671 -2.764 3.021 1.00 40.43 H new ATOM 143 N LYS A 366 7.748 -5.412 1.075 1.00 3.34 N ATOM 144 CA LYS A 366 6.908 -6.577 1.144 1.00 33.20 C ATOM 145 C LYS A 366 6.875 -7.154 2.545 1.00 31.21 C ATOM 146 O LYS A 366 7.869 -7.095 3.270 1.00 64.53 O ATOM 147 CB LYS A 366 7.367 -7.608 0.143 1.00 3.11 C ATOM 148 CG LYS A 366 8.782 -8.083 0.335 1.00 24.23 C ATOM 149 CD LYS A 366 9.163 -9.010 -0.770 1.00 41.02 C ATOM 150 CE LYS A 366 9.219 -8.288 -2.111 1.00 53.13 C ATOM 151 NZ LYS A 366 9.633 -9.169 -3.210 1.00 40.11 N ATOM 0 H LYS A 366 8.572 -5.454 1.675 1.00 3.34 H new ATOM 0 HA LYS A 366 5.890 -6.279 0.894 1.00 33.20 H new ATOM 0 HB2 LYS A 366 6.699 -8.468 0.195 1.00 3.11 H new ATOM 0 HB3 LYS A 366 7.271 -7.190 -0.859 1.00 3.11 H new ATOM 0 HG2 LYS A 366 9.461 -7.230 0.356 1.00 24.23 H new ATOM 0 HG3 LYS A 366 8.877 -8.590 1.295 1.00 24.23 H new ATOM 0 HD2 LYS A 366 10.134 -9.455 -0.554 1.00 41.02 H new ATOM 0 HD3 LYS A 366 8.444 -9.827 -0.825 1.00 41.02 H new ATOM 0 HE2 LYS A 366 8.238 -7.870 -2.336 1.00 53.13 H new ATOM 0 HE3 LYS A 366 9.914 -7.451 -2.040 1.00 53.13 H new ATOM 0 HZ1 LYS A 366 10.206 -8.630 -3.890 1.00 40.11 H new ATOM 0 HZ2 LYS A 366 10.196 -9.957 -2.830 1.00 40.11 H new ATOM 0 HZ3 LYS A 366 8.790 -9.545 -3.689 1.00 40.11 H new ATOM 165 N ARG A 367 5.737 -7.685 2.929 1.00 64.02 N ATOM 166 CA ARG A 367 5.558 -8.271 4.241 1.00 52.43 C ATOM 167 C ARG A 367 4.368 -9.208 4.165 1.00 24.23 C ATOM 168 O ARG A 367 3.332 -8.856 3.597 1.00 64.22 O ATOM 169 CB ARG A 367 5.353 -7.127 5.265 1.00 60.10 C ATOM 170 CG ARG A 367 5.377 -7.478 6.768 1.00 71.53 C ATOM 171 CD ARG A 367 4.115 -8.118 7.293 1.00 62.33 C ATOM 172 NE ARG A 367 4.146 -8.228 8.771 1.00 4.01 N ATOM 173 CZ ARG A 367 3.180 -8.768 9.543 1.00 10.13 C ATOM 174 NH1 ARG A 367 2.192 -9.457 8.999 1.00 44.14 N ATOM 175 NH2 ARG A 367 3.247 -8.660 10.862 1.00 21.32 N ATOM 0 H ARG A 367 4.905 -7.724 2.340 1.00 64.02 H new ATOM 0 HA ARG A 367 6.426 -8.846 4.564 1.00 52.43 H new ATOM 0 HB2 ARG A 367 6.125 -6.378 5.086 1.00 60.10 H new ATOM 0 HB3 ARG A 367 4.395 -6.655 5.049 1.00 60.10 H new ATOM 0 HG2 ARG A 367 6.213 -8.152 6.955 1.00 71.53 H new ATOM 0 HG3 ARG A 367 5.568 -6.567 7.336 1.00 71.53 H new ATOM 0 HD2 ARG A 367 3.251 -7.528 6.987 1.00 62.33 H new ATOM 0 HD3 ARG A 367 3.996 -9.109 6.854 1.00 62.33 H new ATOM 0 HE ARG A 367 4.971 -7.863 9.247 1.00 4.01 H new ATOM 0 HH11 ARG A 367 2.155 -9.584 7.988 1.00 44.14 H new ATOM 0 HH12 ARG A 367 1.466 -9.862 9.591 1.00 44.14 H new ATOM 0 HH21 ARG A 367 4.029 -8.168 11.294 1.00 21.32 H new ATOM 0 HH22 ARG A 367 2.516 -9.068 11.445 1.00 21.32 H new ATOM 187 N GLU A 368 4.515 -10.390 4.701 1.00 33.25 N ATOM 188 CA GLU A 368 3.463 -11.395 4.628 1.00 32.02 C ATOM 189 C GLU A 368 2.481 -11.177 5.742 1.00 14.43 C ATOM 190 O GLU A 368 2.862 -11.083 6.901 1.00 23.24 O ATOM 191 CB GLU A 368 4.044 -12.819 4.641 1.00 32.24 C ATOM 192 CG GLU A 368 4.991 -13.088 3.473 1.00 74.41 C ATOM 193 CD GLU A 368 5.576 -14.485 3.459 1.00 12.44 C ATOM 194 OE1 GLU A 368 4.956 -15.397 2.889 1.00 15.30 O ATOM 195 OE2 GLU A 368 6.684 -14.684 3.986 1.00 25.04 O ATOM 0 H GLU A 368 5.354 -10.691 5.197 1.00 33.25 H new ATOM 0 HA GLU A 368 2.935 -11.288 3.680 1.00 32.02 H new ATOM 0 HB2 GLU A 368 4.577 -12.979 5.578 1.00 32.24 H new ATOM 0 HB3 GLU A 368 3.226 -13.539 4.612 1.00 32.24 H new ATOM 0 HG2 GLU A 368 4.455 -12.921 2.539 1.00 74.41 H new ATOM 0 HG3 GLU A 368 5.806 -12.365 3.506 1.00 74.41 H new ATOM 202 N ILE A 369 1.226 -11.052 5.396 1.00 14.20 N ATOM 203 CA ILE A 369 0.209 -10.731 6.347 1.00 15.24 C ATOM 204 C ILE A 369 -0.916 -11.706 6.153 1.00 13.23 C ATOM 205 O ILE A 369 -1.475 -11.786 5.075 1.00 45.33 O ATOM 206 CB ILE A 369 -0.302 -9.281 6.102 1.00 61.45 C ATOM 207 CG1 ILE A 369 0.888 -8.328 6.044 1.00 34.43 C ATOM 208 CG2 ILE A 369 -1.243 -8.850 7.222 1.00 53.03 C ATOM 209 CD1 ILE A 369 0.551 -6.924 5.669 1.00 23.11 C ATOM 0 H ILE A 369 0.886 -11.172 4.442 1.00 14.20 H new ATOM 0 HA ILE A 369 0.599 -10.792 7.363 1.00 15.24 H new ATOM 0 HB ILE A 369 -0.845 -9.254 5.157 1.00 61.45 H new ATOM 0 HG12 ILE A 369 1.377 -8.321 7.018 1.00 34.43 H new ATOM 0 HG13 ILE A 369 1.611 -8.716 5.327 1.00 34.43 H new ATOM 0 HG21 ILE A 369 -1.591 -7.834 7.034 1.00 53.03 H new ATOM 0 HG22 ILE A 369 -2.098 -9.525 7.259 1.00 53.03 H new ATOM 0 HG23 ILE A 369 -0.714 -8.882 8.174 1.00 53.03 H new ATOM 0 HD11 ILE A 369 1.460 -6.323 5.654 1.00 23.11 H new ATOM 0 HD12 ILE A 369 0.092 -6.912 4.680 1.00 23.11 H new ATOM 0 HD13 ILE A 369 -0.146 -6.510 6.398 1.00 23.11 H new ATOM 216 N GLY A 370 -1.205 -12.486 7.169 1.00 11.52 N ATOM 217 CA GLY A 370 -2.263 -13.482 7.071 1.00 62.21 C ATOM 218 C GLY A 370 -1.922 -14.594 6.091 1.00 30.45 C ATOM 219 O GLY A 370 -2.796 -15.374 5.692 1.00 14.42 O ATOM 0 H GLY A 370 -0.729 -12.456 8.071 1.00 11.52 H new ATOM 0 HA2 GLY A 370 -2.446 -13.912 8.056 1.00 62.21 H new ATOM 0 HA3 GLY A 370 -3.188 -12.997 6.759 1.00 62.21 H new ATOM 223 N GLY A 371 -0.667 -14.656 5.693 1.00 74.33 N ATOM 224 CA GLY A 371 -0.237 -15.662 4.792 1.00 14.21 C ATOM 225 C GLY A 371 0.163 -15.108 3.459 1.00 11.42 C ATOM 226 O GLY A 371 1.042 -15.649 2.793 1.00 43.55 O ATOM 0 H GLY A 371 0.063 -14.010 5.991 1.00 74.33 H new ATOM 0 HA2 GLY A 371 0.607 -16.198 5.227 1.00 14.21 H new ATOM 0 HA3 GLY A 371 -1.038 -16.388 4.654 1.00 14.21 H new ATOM 230 N TYR A 372 -0.439 -14.016 3.079 1.00 54.44 N ATOM 231 CA TYR A 372 -0.207 -13.458 1.786 1.00 60.55 C ATOM 232 C TYR A 372 0.802 -12.331 1.846 1.00 43.34 C ATOM 233 O TYR A 372 0.808 -11.540 2.783 1.00 44.31 O ATOM 234 CB TYR A 372 -1.532 -13.027 1.135 1.00 21.13 C ATOM 235 CG TYR A 372 -2.420 -12.169 2.002 1.00 24.40 C ATOM 236 CD1 TYR A 372 -2.178 -10.832 2.156 1.00 33.11 C ATOM 237 CD2 TYR A 372 -3.522 -12.713 2.656 1.00 64.31 C ATOM 238 CE1 TYR A 372 -2.989 -10.050 2.925 1.00 44.45 C ATOM 239 CE2 TYR A 372 -4.350 -11.931 3.427 1.00 53.02 C ATOM 240 CZ TYR A 372 -4.072 -10.595 3.558 1.00 53.13 C ATOM 241 OH TYR A 372 -4.900 -9.790 4.310 1.00 44.32 O ATOM 0 H TYR A 372 -1.099 -13.494 3.656 1.00 54.44 H new ATOM 0 HA TYR A 372 0.228 -14.229 1.150 1.00 60.55 H new ATOM 0 HB2 TYR A 372 -1.308 -12.481 0.218 1.00 21.13 H new ATOM 0 HB3 TYR A 372 -2.085 -13.921 0.847 1.00 21.13 H new ATOM 0 HD1 TYR A 372 -1.329 -10.387 1.659 1.00 33.11 H new ATOM 0 HD2 TYR A 372 -3.730 -13.768 2.556 1.00 64.31 H new ATOM 0 HE1 TYR A 372 -2.775 -8.997 3.034 1.00 44.45 H new ATOM 0 HE2 TYR A 372 -5.207 -12.363 3.922 1.00 53.02 H new ATOM 0 HH TYR A 372 -5.623 -10.330 4.692 1.00 44.32 H new ATOM 251 N THR A 373 1.656 -12.279 0.870 1.00 15.15 N ATOM 252 CA THR A 373 2.683 -11.289 0.819 1.00 74.31 C ATOM 253 C THR A 373 2.123 -9.987 0.282 1.00 64.04 C ATOM 254 O THR A 373 1.632 -9.935 -0.844 1.00 15.11 O ATOM 255 CB THR A 373 3.844 -11.752 -0.093 1.00 71.33 C ATOM 256 OG1 THR A 373 4.309 -13.043 0.336 1.00 32.24 O ATOM 257 CG2 THR A 373 5.007 -10.763 -0.044 1.00 61.50 C ATOM 0 H THR A 373 1.658 -12.927 0.082 1.00 15.15 H new ATOM 0 HA THR A 373 3.060 -11.140 1.831 1.00 74.31 H new ATOM 0 HB THR A 373 3.472 -11.806 -1.116 1.00 71.33 H new ATOM 0 HG1 THR A 373 5.255 -12.984 0.584 1.00 32.24 H new ATOM 0 HG21 THR A 373 5.809 -11.112 -0.694 1.00 61.50 H new ATOM 0 HG22 THR A 373 4.667 -9.784 -0.382 1.00 61.50 H new ATOM 0 HG23 THR A 373 5.376 -10.686 0.979 1.00 61.50 H new ATOM 263 N TYR A 374 2.168 -8.962 1.079 1.00 42.34 N ATOM 264 CA TYR A 374 1.790 -7.679 0.620 1.00 42.44 C ATOM 265 C TYR A 374 2.994 -6.994 0.081 1.00 23.44 C ATOM 266 O TYR A 374 4.025 -6.964 0.737 1.00 0.24 O ATOM 267 CB TYR A 374 1.181 -6.853 1.723 1.00 34.03 C ATOM 268 CG TYR A 374 -0.253 -6.593 1.481 1.00 11.42 C ATOM 269 CD1 TYR A 374 -0.632 -5.748 0.459 1.00 31.42 C ATOM 270 CD2 TYR A 374 -1.230 -7.181 2.248 1.00 53.24 C ATOM 271 CE1 TYR A 374 -1.933 -5.490 0.201 1.00 20.52 C ATOM 272 CE2 TYR A 374 -2.563 -6.919 1.991 1.00 60.31 C ATOM 273 CZ TYR A 374 -2.908 -6.075 0.975 1.00 61.51 C ATOM 274 OH TYR A 374 -4.234 -5.834 0.720 1.00 43.34 O ATOM 0 H TYR A 374 2.466 -9.000 2.054 1.00 42.34 H new ATOM 0 HA TYR A 374 1.035 -7.793 -0.158 1.00 42.44 H new ATOM 0 HB2 TYR A 374 1.302 -7.371 2.675 1.00 34.03 H new ATOM 0 HB3 TYR A 374 1.714 -5.906 1.805 1.00 34.03 H new ATOM 0 HD1 TYR A 374 0.129 -5.282 -0.149 1.00 31.42 H new ATOM 0 HD2 TYR A 374 -0.956 -7.848 3.052 1.00 53.24 H new ATOM 0 HE1 TYR A 374 -2.206 -4.828 -0.608 1.00 20.52 H new ATOM 0 HE2 TYR A 374 -3.331 -7.382 2.594 1.00 60.31 H new ATOM 0 HH TYR A 374 -4.786 -6.328 1.362 1.00 43.34 H new ATOM 284 N LYS A 375 2.884 -6.466 -1.102 1.00 71.35 N ATOM 285 CA LYS A 375 4.012 -5.836 -1.722 1.00 23.32 C ATOM 286 C LYS A 375 3.621 -4.492 -2.248 1.00 44.43 C ATOM 287 O LYS A 375 2.656 -4.369 -2.973 1.00 34.51 O ATOM 288 CB LYS A 375 4.573 -6.675 -2.872 1.00 53.22 C ATOM 289 CG LYS A 375 5.907 -6.148 -3.378 1.00 50.31 C ATOM 290 CD LYS A 375 6.404 -6.909 -4.581 1.00 31.03 C ATOM 291 CE LYS A 375 5.617 -6.584 -5.837 1.00 55.22 C ATOM 292 NZ LYS A 375 6.110 -7.359 -6.997 1.00 15.23 N ATOM 0 H LYS A 375 2.027 -6.459 -1.656 1.00 71.35 H new ATOM 0 HA LYS A 375 4.786 -5.735 -0.961 1.00 23.32 H new ATOM 0 HB2 LYS A 375 4.695 -7.706 -2.540 1.00 53.22 H new ATOM 0 HB3 LYS A 375 3.856 -6.687 -3.693 1.00 53.22 H new ATOM 0 HG2 LYS A 375 5.805 -5.094 -3.635 1.00 50.31 H new ATOM 0 HG3 LYS A 375 6.647 -6.211 -2.580 1.00 50.31 H new ATOM 0 HD2 LYS A 375 7.456 -6.677 -4.745 1.00 31.03 H new ATOM 0 HD3 LYS A 375 6.340 -7.979 -4.382 1.00 31.03 H new ATOM 0 HE2 LYS A 375 4.562 -6.802 -5.674 1.00 55.22 H new ATOM 0 HE3 LYS A 375 5.693 -5.518 -6.051 1.00 55.22 H new ATOM 0 HZ1 LYS A 375 5.552 -7.115 -7.840 1.00 15.23 H new ATOM 0 HZ2 LYS A 375 7.111 -7.132 -7.166 1.00 15.23 H new ATOM 0 HZ3 LYS A 375 6.014 -8.376 -6.801 1.00 15.23 H new ATOM 306 N VAL A 376 4.366 -3.513 -1.896 1.00 30.11 N ATOM 307 CA VAL A 376 4.134 -2.178 -2.334 1.00 20.34 C ATOM 308 C VAL A 376 5.391 -1.637 -3.017 1.00 53.42 C ATOM 309 O VAL A 376 6.481 -1.592 -2.422 1.00 14.43 O ATOM 310 CB VAL A 376 3.686 -1.258 -1.138 1.00 73.13 C ATOM 311 CG1 VAL A 376 4.695 -1.278 -0.026 1.00 45.50 C ATOM 312 CG2 VAL A 376 3.439 0.172 -1.584 1.00 31.10 C ATOM 0 H VAL A 376 5.174 -3.613 -1.282 1.00 30.11 H new ATOM 0 HA VAL A 376 3.318 -2.179 -3.057 1.00 20.34 H new ATOM 0 HB VAL A 376 2.746 -1.666 -0.767 1.00 73.13 H new ATOM 0 HG11 VAL A 376 4.356 -0.633 0.785 1.00 45.50 H new ATOM 0 HG12 VAL A 376 4.808 -2.297 0.344 1.00 45.50 H new ATOM 0 HG13 VAL A 376 5.654 -0.919 -0.399 1.00 45.50 H new ATOM 0 HG21 VAL A 376 3.132 0.772 -0.728 1.00 31.10 H new ATOM 0 HG22 VAL A 376 4.355 0.585 -2.007 1.00 31.10 H new ATOM 0 HG23 VAL A 376 2.652 0.187 -2.338 1.00 31.10 H new ATOM 318 N VAL A 377 5.273 -1.314 -4.278 1.00 63.31 N ATOM 319 CA VAL A 377 6.364 -0.698 -4.971 1.00 54.10 C ATOM 320 C VAL A 377 5.977 0.744 -5.234 1.00 15.50 C ATOM 321 O VAL A 377 5.019 1.017 -5.973 1.00 73.51 O ATOM 322 CB VAL A 377 6.706 -1.426 -6.293 1.00 72.52 C ATOM 323 CG1 VAL A 377 7.886 -0.757 -6.973 1.00 41.51 C ATOM 324 CG2 VAL A 377 7.027 -2.889 -6.023 1.00 22.03 C ATOM 0 H VAL A 377 4.436 -1.468 -4.840 1.00 63.31 H new ATOM 0 HA VAL A 377 7.263 -0.755 -4.357 1.00 54.10 H new ATOM 0 HB VAL A 377 5.839 -1.370 -6.952 1.00 72.52 H new ATOM 0 HG11 VAL A 377 8.115 -1.280 -7.902 1.00 41.51 H new ATOM 0 HG12 VAL A 377 7.638 0.281 -7.193 1.00 41.51 H new ATOM 0 HG13 VAL A 377 8.753 -0.791 -6.314 1.00 41.51 H new ATOM 0 HG21 VAL A 377 7.266 -3.388 -6.962 1.00 22.03 H new ATOM 0 HG22 VAL A 377 7.881 -2.956 -5.349 1.00 22.03 H new ATOM 0 HG23 VAL A 377 6.164 -3.372 -5.564 1.00 22.03 H new ATOM 330 N PHE A 378 6.726 1.648 -4.643 1.00 13.15 N ATOM 331 CA PHE A 378 6.414 3.064 -4.645 1.00 4.45 C ATOM 332 C PHE A 378 6.358 3.670 -6.037 1.00 62.22 C ATOM 333 O PHE A 378 7.254 3.466 -6.850 1.00 10.13 O ATOM 334 CB PHE A 378 7.371 3.829 -3.734 1.00 53.24 C ATOM 335 CG PHE A 378 7.249 3.460 -2.274 1.00 0.22 C ATOM 336 CD1 PHE A 378 7.934 2.373 -1.751 1.00 12.42 C ATOM 337 CD2 PHE A 378 6.450 4.204 -1.427 1.00 31.24 C ATOM 338 CE1 PHE A 378 7.822 2.039 -0.419 1.00 70.45 C ATOM 339 CE2 PHE A 378 6.336 3.873 -0.091 1.00 12.33 C ATOM 340 CZ PHE A 378 7.021 2.792 0.412 1.00 45.44 C ATOM 0 H PHE A 378 7.583 1.419 -4.139 1.00 13.15 H new ATOM 0 HA PHE A 378 5.404 3.160 -4.246 1.00 4.45 H new ATOM 0 HB2 PHE A 378 8.394 3.645 -4.061 1.00 53.24 H new ATOM 0 HB3 PHE A 378 7.188 4.898 -3.846 1.00 53.24 H new ATOM 0 HD1 PHE A 378 8.564 1.780 -2.397 1.00 12.42 H new ATOM 0 HD2 PHE A 378 5.908 5.054 -1.814 1.00 31.24 H new ATOM 0 HE1 PHE A 378 8.361 1.189 -0.027 1.00 70.45 H new ATOM 0 HE2 PHE A 378 5.708 4.464 0.559 1.00 12.33 H new ATOM 0 HZ PHE A 378 6.931 2.533 1.457 1.00 45.44 H new ATOM 350 N TYR A 379 5.261 4.415 -6.290 1.00 23.02 N ATOM 351 CA TYR A 379 4.977 5.085 -7.557 1.00 61.44 C ATOM 352 C TYR A 379 4.663 4.097 -8.690 1.00 43.13 C ATOM 353 O TYR A 379 4.522 4.487 -9.847 1.00 0.43 O ATOM 354 CB TYR A 379 6.071 6.110 -7.918 1.00 14.41 C ATOM 355 CG TYR A 379 6.185 7.229 -6.884 1.00 71.11 C ATOM 356 CD1 TYR A 379 7.039 7.111 -5.792 1.00 44.22 C ATOM 357 CD2 TYR A 379 5.425 8.389 -6.992 1.00 23.32 C ATOM 358 CE1 TYR A 379 7.132 8.111 -4.842 1.00 71.25 C ATOM 359 CE2 TYR A 379 5.512 9.397 -6.040 1.00 14.43 C ATOM 360 CZ TYR A 379 6.368 9.249 -4.967 1.00 51.21 C ATOM 361 OH TYR A 379 6.465 10.247 -4.008 1.00 42.03 O ATOM 0 H TYR A 379 4.533 4.565 -5.592 1.00 23.02 H new ATOM 0 HA TYR A 379 4.060 5.658 -7.420 1.00 61.44 H new ATOM 0 HB2 TYR A 379 7.030 5.599 -8.003 1.00 14.41 H new ATOM 0 HB3 TYR A 379 5.852 6.542 -8.894 1.00 14.41 H new ATOM 0 HD1 TYR A 379 7.641 6.221 -5.684 1.00 44.22 H new ATOM 0 HD2 TYR A 379 4.755 8.508 -7.831 1.00 23.32 H new ATOM 0 HE1 TYR A 379 7.803 7.999 -4.003 1.00 71.25 H new ATOM 0 HE2 TYR A 379 4.914 10.291 -6.139 1.00 14.43 H new ATOM 0 HH TYR A 379 5.863 10.984 -4.241 1.00 42.03 H new ATOM 371 N GLU A 380 4.498 2.822 -8.339 1.00 71.34 N ATOM 372 CA GLU A 380 4.153 1.802 -9.311 1.00 43.44 C ATOM 373 C GLU A 380 2.841 1.090 -8.994 1.00 32.54 C ATOM 374 O GLU A 380 1.774 1.498 -9.475 1.00 21.31 O ATOM 375 CB GLU A 380 5.296 0.802 -9.516 1.00 0.13 C ATOM 376 CG GLU A 380 6.481 1.389 -10.243 1.00 30.42 C ATOM 377 CD GLU A 380 7.653 0.448 -10.334 1.00 65.54 C ATOM 378 OE1 GLU A 380 7.570 -0.569 -11.061 1.00 2.14 O ATOM 379 OE2 GLU A 380 8.684 0.723 -9.704 1.00 25.30 O ATOM 0 H GLU A 380 4.599 2.477 -7.385 1.00 71.34 H new ATOM 0 HA GLU A 380 3.996 2.328 -10.253 1.00 43.44 H new ATOM 0 HB2 GLU A 380 5.622 0.430 -8.545 1.00 0.13 H new ATOM 0 HB3 GLU A 380 4.923 -0.055 -10.077 1.00 0.13 H new ATOM 0 HG2 GLU A 380 6.175 1.675 -11.249 1.00 30.42 H new ATOM 0 HG3 GLU A 380 6.795 2.300 -9.734 1.00 30.42 H new ATOM 386 N ASN A 381 2.903 0.079 -8.144 1.00 72.25 N ATOM 387 CA ASN A 381 1.742 -0.768 -7.860 1.00 35.23 C ATOM 388 C ASN A 381 1.936 -1.658 -6.638 1.00 53.43 C ATOM 389 O ASN A 381 3.071 -1.924 -6.217 1.00 64.34 O ATOM 390 CB ASN A 381 1.319 -1.593 -9.110 1.00 13.24 C ATOM 391 CG ASN A 381 2.477 -2.291 -9.847 1.00 24.04 C ATOM 392 OD1 ASN A 381 3.524 -2.670 -9.148 1.00 31.11 O flip ATOM 393 ND2 ASN A 381 2.408 -2.484 -11.060 1.00 40.33 N flip ATOM 0 H ASN A 381 3.747 -0.181 -7.633 1.00 72.25 H new ATOM 0 HA ASN A 381 0.924 -0.091 -7.613 1.00 35.23 H new ATOM 0 HB2 ASN A 381 0.596 -2.348 -8.802 1.00 13.24 H new ATOM 0 HB3 ASN A 381 0.809 -0.930 -9.809 1.00 13.24 H new ATOM 0 HD21 ASN A 381 1.584 -2.180 -11.579 1.00 40.33 H new ATOM 0 HD22 ASN A 381 3.175 -2.948 -11.547 1.00 40.33 H new ATOM 399 N VAL A 382 0.818 -2.097 -6.083 1.00 62.23 N ATOM 400 CA VAL A 382 0.769 -2.938 -4.886 1.00 21.34 C ATOM 401 C VAL A 382 0.215 -4.308 -5.249 1.00 52.50 C ATOM 402 O VAL A 382 -0.637 -4.423 -6.134 1.00 12.12 O ATOM 403 CB VAL A 382 -0.133 -2.290 -3.776 1.00 72.31 C ATOM 404 CG1 VAL A 382 -0.233 -3.155 -2.521 1.00 61.25 C ATOM 405 CG2 VAL A 382 0.398 -0.941 -3.407 1.00 51.14 C ATOM 0 H VAL A 382 -0.105 -1.876 -6.457 1.00 62.23 H new ATOM 0 HA VAL A 382 1.782 -3.035 -4.495 1.00 21.34 H new ATOM 0 HB VAL A 382 -1.135 -2.200 -4.195 1.00 72.31 H new ATOM 0 HG11 VAL A 382 -0.868 -2.659 -1.787 1.00 61.25 H new ATOM 0 HG12 VAL A 382 -0.664 -4.122 -2.779 1.00 61.25 H new ATOM 0 HG13 VAL A 382 0.762 -3.302 -2.100 1.00 61.25 H new ATOM 0 HG21 VAL A 382 -0.234 -0.499 -2.637 1.00 51.14 H new ATOM 0 HG22 VAL A 382 1.415 -1.041 -3.028 1.00 51.14 H new ATOM 0 HG23 VAL A 382 0.400 -0.298 -4.287 1.00 51.14 H new ATOM 411 N PHE A 383 0.699 -5.327 -4.579 1.00 55.32 N ATOM 412 CA PHE A 383 0.289 -6.690 -4.815 1.00 62.43 C ATOM 413 C PHE A 383 0.006 -7.417 -3.528 1.00 34.10 C ATOM 414 O PHE A 383 0.630 -7.157 -2.505 1.00 5.03 O ATOM 415 CB PHE A 383 1.364 -7.454 -5.608 1.00 5.32 C ATOM 416 CG PHE A 383 1.482 -7.010 -7.026 1.00 71.53 C ATOM 417 CD1 PHE A 383 2.234 -5.908 -7.355 1.00 23.04 C ATOM 418 CD2 PHE A 383 0.819 -7.689 -8.031 1.00 42.21 C ATOM 419 CE1 PHE A 383 2.324 -5.484 -8.647 1.00 63.51 C ATOM 420 CE2 PHE A 383 0.910 -7.269 -9.337 1.00 22.02 C ATOM 421 CZ PHE A 383 1.667 -6.159 -9.645 1.00 31.54 C ATOM 0 H PHE A 383 1.399 -5.230 -3.844 1.00 55.32 H new ATOM 0 HA PHE A 383 -0.631 -6.650 -5.398 1.00 62.43 H new ATOM 0 HB2 PHE A 383 2.327 -7.327 -5.114 1.00 5.32 H new ATOM 0 HB3 PHE A 383 1.132 -8.519 -5.587 1.00 5.32 H new ATOM 0 HD1 PHE A 383 2.760 -5.371 -6.580 1.00 23.04 H new ATOM 0 HD2 PHE A 383 0.224 -8.557 -7.788 1.00 42.21 H new ATOM 0 HE1 PHE A 383 2.915 -4.613 -8.887 1.00 63.51 H new ATOM 0 HE2 PHE A 383 0.391 -7.806 -10.117 1.00 22.02 H new ATOM 0 HZ PHE A 383 1.743 -5.822 -10.668 1.00 31.54 H new ATOM 431 N GLN A 384 -0.949 -8.296 -3.585 1.00 42.40 N ATOM 432 CA GLN A 384 -1.254 -9.183 -2.511 1.00 13.31 C ATOM 433 C GLN A 384 -1.025 -10.574 -3.040 1.00 42.43 C ATOM 434 O GLN A 384 -1.856 -11.107 -3.771 1.00 44.32 O ATOM 435 CB GLN A 384 -2.703 -9.032 -2.056 1.00 61.32 C ATOM 436 CG GLN A 384 -3.074 -9.885 -0.857 1.00 2.52 C ATOM 437 CD GLN A 384 -4.538 -9.784 -0.502 1.00 1.53 C ATOM 438 OE1 GLN A 384 -5.372 -10.545 -0.992 1.00 15.24 O ATOM 439 NE2 GLN A 384 -4.859 -8.857 0.334 1.00 54.14 N ATOM 0 H GLN A 384 -1.550 -8.416 -4.400 1.00 42.40 H new ATOM 0 HA GLN A 384 -0.628 -8.965 -1.646 1.00 13.31 H new ATOM 0 HB2 GLN A 384 -2.888 -7.986 -1.814 1.00 61.32 H new ATOM 0 HB3 GLN A 384 -3.361 -9.288 -2.887 1.00 61.32 H new ATOM 0 HG2 GLN A 384 -2.826 -10.926 -1.066 1.00 2.52 H new ATOM 0 HG3 GLN A 384 -2.474 -9.580 0.001 1.00 2.52 H new ATOM 0 HE21 GLN A 384 -4.139 -8.246 0.719 1.00 54.14 H new ATOM 0 HE22 GLN A 384 -5.833 -8.735 0.611 1.00 54.14 H new ATOM 447 N ASP A 385 0.126 -11.113 -2.731 1.00 11.21 N ATOM 448 CA ASP A 385 0.581 -12.434 -3.207 1.00 73.13 C ATOM 449 C ASP A 385 0.887 -12.391 -4.700 1.00 73.41 C ATOM 450 O ASP A 385 2.030 -12.187 -5.110 1.00 54.52 O ATOM 451 CB ASP A 385 -0.445 -13.546 -2.923 1.00 11.13 C ATOM 452 CG ASP A 385 0.051 -14.924 -3.331 1.00 71.42 C ATOM 453 OD1 ASP A 385 0.683 -15.614 -2.504 1.00 55.15 O ATOM 454 OD2 ASP A 385 -0.182 -15.331 -4.479 1.00 45.35 O ATOM 0 H ASP A 385 0.805 -10.649 -2.127 1.00 11.21 H new ATOM 0 HA ASP A 385 1.489 -12.670 -2.653 1.00 73.13 H new ATOM 0 HB2 ASP A 385 -0.683 -13.551 -1.859 1.00 11.13 H new ATOM 0 HB3 ASP A 385 -1.370 -13.325 -3.456 1.00 11.13 H new ATOM 459 N SER A 386 -0.150 -12.553 -5.490 1.00 12.03 N ATOM 460 CA SER A 386 -0.076 -12.521 -6.927 1.00 33.11 C ATOM 461 C SER A 386 -1.254 -11.694 -7.447 1.00 72.13 C ATOM 462 O SER A 386 -1.489 -11.576 -8.656 1.00 51.13 O ATOM 463 CB SER A 386 -0.154 -13.952 -7.473 1.00 4.35 C ATOM 464 OG SER A 386 0.844 -14.783 -6.876 1.00 20.52 O ATOM 0 H SER A 386 -1.093 -12.715 -5.137 1.00 12.03 H new ATOM 0 HA SER A 386 0.863 -12.074 -7.253 1.00 33.11 H new ATOM 0 HB2 SER A 386 -1.143 -14.367 -7.277 1.00 4.35 H new ATOM 0 HB3 SER A 386 -0.023 -13.940 -8.555 1.00 4.35 H new ATOM 0 HG SER A 386 0.573 -15.016 -5.964 1.00 20.52 H new ATOM 470 N ILE A 387 -2.003 -11.143 -6.513 1.00 33.23 N ATOM 471 CA ILE A 387 -3.135 -10.309 -6.834 1.00 41.22 C ATOM 472 C ILE A 387 -2.685 -8.871 -6.987 1.00 23.45 C ATOM 473 O ILE A 387 -1.949 -8.363 -6.147 1.00 23.23 O ATOM 474 CB ILE A 387 -4.188 -10.372 -5.705 1.00 40.31 C ATOM 475 CG1 ILE A 387 -4.694 -11.803 -5.517 1.00 71.33 C ATOM 476 CG2 ILE A 387 -5.339 -9.404 -5.962 1.00 63.14 C ATOM 477 CD1 ILE A 387 -5.722 -11.946 -4.417 1.00 3.20 C ATOM 0 H ILE A 387 -1.841 -11.263 -5.513 1.00 33.23 H new ATOM 0 HA ILE A 387 -3.572 -10.670 -7.765 1.00 41.22 H new ATOM 0 HB ILE A 387 -3.706 -10.061 -4.778 1.00 40.31 H new ATOM 0 HG12 ILE A 387 -5.127 -12.152 -6.454 1.00 71.33 H new ATOM 0 HG13 ILE A 387 -3.847 -12.452 -5.297 1.00 71.33 H new ATOM 0 HG21 ILE A 387 -6.062 -9.474 -5.149 1.00 63.14 H new ATOM 0 HG22 ILE A 387 -4.953 -8.386 -6.018 1.00 63.14 H new ATOM 0 HG23 ILE A 387 -5.826 -9.659 -6.903 1.00 63.14 H new ATOM 0 HD11 ILE A 387 -6.033 -12.988 -4.343 1.00 3.20 H new ATOM 0 HD12 ILE A 387 -5.287 -11.629 -3.469 1.00 3.20 H new ATOM 0 HD13 ILE A 387 -6.588 -11.324 -4.645 1.00 3.20 H new ATOM 484 N LEU A 388 -3.116 -8.224 -8.046 1.00 14.25 N ATOM 485 CA LEU A 388 -2.818 -6.827 -8.233 1.00 53.14 C ATOM 486 C LEU A 388 -3.752 -6.044 -7.344 1.00 55.03 C ATOM 487 O LEU A 388 -4.951 -6.028 -7.558 1.00 44.42 O ATOM 488 CB LEU A 388 -2.995 -6.414 -9.705 1.00 1.21 C ATOM 489 CG LEU A 388 -2.796 -4.921 -10.025 1.00 65.34 C ATOM 490 CD1 LEU A 388 -1.388 -4.457 -9.696 1.00 11.24 C ATOM 491 CD2 LEU A 388 -3.138 -4.631 -11.475 1.00 75.02 C ATOM 0 H LEU A 388 -3.674 -8.645 -8.789 1.00 14.25 H new ATOM 0 HA LEU A 388 -1.779 -6.626 -7.971 1.00 53.14 H new ATOM 0 HB2 LEU A 388 -2.293 -6.989 -10.308 1.00 1.21 H new ATOM 0 HB3 LEU A 388 -3.998 -6.701 -10.022 1.00 1.21 H new ATOM 0 HG LEU A 388 -3.480 -4.356 -9.391 1.00 65.34 H new ATOM 0 HD11 LEU A 388 -1.288 -3.398 -9.936 1.00 11.24 H new ATOM 0 HD12 LEU A 388 -1.194 -4.608 -8.634 1.00 11.24 H new ATOM 0 HD13 LEU A 388 -0.670 -5.031 -10.281 1.00 11.24 H new ATOM 0 HD21 LEU A 388 -2.990 -3.570 -11.679 1.00 75.02 H new ATOM 0 HD22 LEU A 388 -2.491 -5.219 -12.126 1.00 75.02 H new ATOM 0 HD23 LEU A 388 -4.179 -4.895 -11.663 1.00 75.02 H new ATOM 499 N LEU A 389 -3.225 -5.445 -6.334 1.00 34.14 N ATOM 500 CA LEU A 389 -4.011 -4.765 -5.407 1.00 64.32 C ATOM 501 C LEU A 389 -4.439 -3.437 -6.001 1.00 72.32 C ATOM 502 O LEU A 389 -5.608 -3.232 -6.265 1.00 63.02 O ATOM 503 CB LEU A 389 -3.166 -4.580 -4.188 1.00 10.41 C ATOM 504 CG LEU A 389 -3.845 -4.422 -2.864 1.00 61.02 C ATOM 505 CD1 LEU A 389 -4.779 -3.230 -2.801 1.00 73.01 C ATOM 506 CD2 LEU A 389 -4.524 -5.705 -2.445 1.00 13.43 C ATOM 0 H LEU A 389 -2.224 -5.422 -6.140 1.00 34.14 H new ATOM 0 HA LEU A 389 -4.918 -5.312 -5.148 1.00 64.32 H new ATOM 0 HB2 LEU A 389 -2.496 -5.437 -4.116 1.00 10.41 H new ATOM 0 HB3 LEU A 389 -2.543 -3.700 -4.348 1.00 10.41 H new ATOM 0 HG LEU A 389 -3.061 -4.206 -2.139 1.00 61.02 H new ATOM 0 HD11 LEU A 389 -5.236 -3.178 -1.813 1.00 73.01 H new ATOM 0 HD12 LEU A 389 -4.216 -2.316 -2.989 1.00 73.01 H new ATOM 0 HD13 LEU A 389 -5.558 -3.338 -3.556 1.00 73.01 H new ATOM 0 HD21 LEU A 389 -5.009 -5.561 -1.480 1.00 13.43 H new ATOM 0 HD22 LEU A 389 -5.271 -5.981 -3.189 1.00 13.43 H new ATOM 0 HD23 LEU A 389 -3.782 -6.499 -2.364 1.00 13.43 H new ATOM 514 N GLY A 390 -3.497 -2.566 -6.243 1.00 50.43 N ATOM 515 CA GLY A 390 -3.835 -1.285 -6.763 1.00 61.12 C ATOM 516 C GLY A 390 -2.667 -0.625 -7.404 1.00 72.31 C ATOM 517 O GLY A 390 -1.514 -0.962 -7.105 1.00 44.54 O ATOM 0 H GLY A 390 -2.501 -2.725 -6.088 1.00 50.43 H new ATOM 0 HA2 GLY A 390 -4.639 -1.389 -7.491 1.00 61.12 H new ATOM 0 HA3 GLY A 390 -4.213 -0.654 -5.959 1.00 61.12 H new ATOM 521 N ASN A 391 -2.945 0.291 -8.277 1.00 5.24 N ATOM 522 CA ASN A 391 -1.933 1.086 -8.930 1.00 23.42 C ATOM 523 C ASN A 391 -1.880 2.418 -8.251 1.00 3.03 C ATOM 524 O ASN A 391 -2.886 2.884 -7.727 1.00 71.44 O ATOM 525 CB ASN A 391 -2.249 1.282 -10.414 1.00 52.33 C ATOM 526 CG ASN A 391 -2.145 0.021 -11.239 1.00 31.32 C ATOM 527 OD1 ASN A 391 -1.086 -0.287 -11.781 1.00 55.30 O ATOM 528 ND2 ASN A 391 -3.221 -0.711 -11.351 1.00 34.44 N ATOM 0 H ASN A 391 -3.896 0.518 -8.567 1.00 5.24 H new ATOM 0 HA ASN A 391 -0.974 0.572 -8.860 1.00 23.42 H new ATOM 0 HB2 ASN A 391 -3.258 1.684 -10.510 1.00 52.33 H new ATOM 0 HB3 ASN A 391 -1.569 2.028 -10.824 1.00 52.33 H new ATOM 0 HD21 ASN A 391 -3.199 -1.569 -11.902 1.00 34.44 H new ATOM 0 HD22 ASN A 391 -4.083 -0.425 -10.887 1.00 34.44 H new ATOM 534 N PHE A 392 -0.741 3.026 -8.241 1.00 42.14 N ATOM 535 CA PHE A 392 -0.588 4.300 -7.571 1.00 55.53 C ATOM 536 C PHE A 392 -1.263 5.409 -8.358 1.00 41.50 C ATOM 537 O PHE A 392 -0.867 5.727 -9.485 1.00 40.30 O ATOM 538 CB PHE A 392 0.889 4.607 -7.320 1.00 3.45 C ATOM 539 CG PHE A 392 1.557 3.747 -6.260 1.00 44.54 C ATOM 540 CD1 PHE A 392 1.368 2.377 -6.216 1.00 3.14 C ATOM 541 CD2 PHE A 392 2.375 4.325 -5.308 1.00 45.55 C ATOM 542 CE1 PHE A 392 1.983 1.612 -5.257 1.00 32.41 C ATOM 543 CE2 PHE A 392 2.996 3.560 -4.348 1.00 3.25 C ATOM 544 CZ PHE A 392 2.802 2.204 -4.326 1.00 52.35 C ATOM 0 H PHE A 392 0.106 2.671 -8.686 1.00 42.14 H new ATOM 0 HA PHE A 392 -1.081 4.239 -6.601 1.00 55.53 H new ATOM 0 HB2 PHE A 392 1.433 4.488 -8.257 1.00 3.45 H new ATOM 0 HB3 PHE A 392 0.982 5.653 -7.028 1.00 3.45 H new ATOM 0 HD1 PHE A 392 0.728 1.904 -6.946 1.00 3.14 H new ATOM 0 HD2 PHE A 392 2.529 5.394 -5.318 1.00 45.55 H new ATOM 0 HE1 PHE A 392 1.823 0.544 -5.234 1.00 32.41 H new ATOM 0 HE2 PHE A 392 3.635 4.027 -3.613 1.00 3.25 H new ATOM 0 HZ PHE A 392 3.293 1.600 -3.577 1.00 52.35 H new ATOM 554 N ALA A 393 -2.275 5.994 -7.758 1.00 45.15 N ATOM 555 CA ALA A 393 -3.044 7.020 -8.407 1.00 22.21 C ATOM 556 C ALA A 393 -2.598 8.396 -7.965 1.00 50.32 C ATOM 557 O ALA A 393 -2.483 9.313 -8.779 1.00 60.52 O ATOM 558 CB ALA A 393 -4.526 6.825 -8.127 1.00 42.31 C ATOM 0 H ALA A 393 -2.583 5.770 -6.812 1.00 45.15 H new ATOM 0 HA ALA A 393 -2.877 6.942 -9.481 1.00 22.21 H new ATOM 0 HB1 ALA A 393 -5.097 7.609 -8.625 1.00 42.31 H new ATOM 0 HB2 ALA A 393 -4.842 5.852 -8.503 1.00 42.31 H new ATOM 0 HB3 ALA A 393 -4.703 6.874 -7.053 1.00 42.31 H new ATOM 564 N SER A 394 -2.373 8.560 -6.676 1.00 62.21 N ATOM 565 CA SER A 394 -1.942 9.836 -6.134 1.00 32.35 C ATOM 566 C SER A 394 -1.191 9.634 -4.832 1.00 2.31 C ATOM 567 O SER A 394 -1.511 8.720 -4.056 1.00 33.35 O ATOM 568 CB SER A 394 -3.158 10.752 -5.889 1.00 41.11 C ATOM 569 OG SER A 394 -3.868 11.001 -7.101 1.00 41.02 O ATOM 0 H SER A 394 -2.482 7.822 -5.980 1.00 62.21 H new ATOM 0 HA SER A 394 -1.278 10.307 -6.859 1.00 32.35 H new ATOM 0 HB2 SER A 394 -3.825 10.289 -5.162 1.00 41.11 H new ATOM 0 HB3 SER A 394 -2.825 11.696 -5.459 1.00 41.11 H new ATOM 0 HG SER A 394 -4.635 11.583 -6.917 1.00 41.02 H new ATOM 575 N GLN A 395 -0.179 10.441 -4.609 1.00 13.51 N ATOM 576 CA GLN A 395 0.534 10.425 -3.367 1.00 11.32 C ATOM 577 C GLN A 395 0.610 11.846 -2.890 1.00 54.31 C ATOM 578 O GLN A 395 0.907 12.746 -3.680 1.00 74.04 O ATOM 579 CB GLN A 395 1.991 9.942 -3.484 1.00 53.40 C ATOM 580 CG GLN A 395 2.282 8.616 -4.218 1.00 41.03 C ATOM 581 CD GLN A 395 2.058 8.650 -5.720 1.00 4.54 C ATOM 582 OE1 GLN A 395 1.811 7.515 -6.293 1.00 55.30 O flip ATOM 583 NE2 GLN A 395 2.174 9.682 -6.358 1.00 2.02 N flip ATOM 0 H GLN A 395 0.167 11.122 -5.285 1.00 13.51 H new ATOM 0 HA GLN A 395 0.004 9.741 -2.703 1.00 11.32 H new ATOM 0 HB2 GLN A 395 2.559 10.727 -3.984 1.00 53.40 H new ATOM 0 HB3 GLN A 395 2.391 9.854 -2.474 1.00 53.40 H new ATOM 0 HG2 GLN A 395 3.317 8.332 -4.027 1.00 41.03 H new ATOM 0 HG3 GLN A 395 1.653 7.836 -3.790 1.00 41.03 H new ATOM 0 HE21 GLN A 395 2.369 10.560 -5.877 1.00 2.02 H new ATOM 0 HE22 GLN A 395 2.076 9.668 -7.373 1.00 2.02 H new ATOM 591 N GLU A 396 0.330 12.069 -1.656 1.00 43.44 N ATOM 592 CA GLU A 396 0.508 13.373 -1.106 1.00 71.35 C ATOM 593 C GLU A 396 1.315 13.260 0.153 1.00 3.35 C ATOM 594 O GLU A 396 0.870 12.672 1.155 1.00 10.23 O ATOM 595 CB GLU A 396 -0.819 14.100 -0.879 1.00 73.13 C ATOM 596 CG GLU A 396 -1.719 13.483 0.157 1.00 31.42 C ATOM 597 CD GLU A 396 -3.047 14.171 0.225 1.00 25.14 C ATOM 598 OE1 GLU A 396 -3.932 13.863 -0.601 1.00 3.41 O ATOM 599 OE2 GLU A 396 -3.224 15.044 1.094 1.00 42.14 O ATOM 0 H GLU A 396 -0.024 11.368 -1.004 1.00 43.44 H new ATOM 0 HA GLU A 396 1.050 13.987 -1.825 1.00 71.35 H new ATOM 0 HB2 GLU A 396 -0.606 15.128 -0.586 1.00 73.13 H new ATOM 0 HB3 GLU A 396 -1.358 14.143 -1.826 1.00 73.13 H new ATOM 0 HG2 GLU A 396 -1.868 12.428 -0.074 1.00 31.42 H new ATOM 0 HG3 GLU A 396 -1.235 13.531 1.133 1.00 31.42 H new ATOM 606 N GLY A 397 2.508 13.743 0.109 1.00 1.23 N ATOM 607 CA GLY A 397 3.323 13.680 1.257 1.00 44.14 C ATOM 608 C GLY A 397 3.800 12.271 1.539 1.00 50.52 C ATOM 609 O GLY A 397 4.702 11.748 0.871 1.00 72.12 O ATOM 0 H GLY A 397 2.933 14.182 -0.707 1.00 1.23 H new ATOM 0 HA2 GLY A 397 4.185 14.335 1.126 1.00 44.14 H new ATOM 0 HA3 GLY A 397 2.767 14.053 2.117 1.00 44.14 H new ATOM 613 N ASN A 398 3.153 11.654 2.489 1.00 44.21 N ATOM 614 CA ASN A 398 3.486 10.325 2.958 1.00 21.51 C ATOM 615 C ASN A 398 2.223 9.477 2.991 1.00 12.20 C ATOM 616 O ASN A 398 2.168 8.428 3.642 1.00 23.13 O ATOM 617 CB ASN A 398 4.098 10.443 4.363 1.00 41.03 C ATOM 618 CG ASN A 398 3.130 11.028 5.398 1.00 0.31 C ATOM 619 OD1 ASN A 398 2.973 12.244 5.503 1.00 3.21 O ATOM 620 ND2 ASN A 398 2.550 10.194 6.201 1.00 2.13 N ATOM 0 H ASN A 398 2.357 12.067 2.975 1.00 44.21 H new ATOM 0 HA ASN A 398 4.206 9.849 2.292 1.00 21.51 H new ATOM 0 HB2 ASN A 398 4.422 9.456 4.695 1.00 41.03 H new ATOM 0 HB3 ASN A 398 4.988 11.070 4.313 1.00 41.03 H new ATOM 0 HD21 ASN A 398 1.944 10.540 6.945 1.00 2.13 H new ATOM 0 HD22 ASN A 398 2.699 9.191 6.089 1.00 2.13 H new ATOM 626 N VAL A 399 1.216 9.923 2.256 1.00 52.22 N ATOM 627 CA VAL A 399 -0.061 9.236 2.216 1.00 34.22 C ATOM 628 C VAL A 399 -0.321 8.883 0.782 1.00 21.43 C ATOM 629 O VAL A 399 -0.445 9.773 -0.081 1.00 61.55 O ATOM 630 CB VAL A 399 -1.221 10.112 2.765 1.00 72.50 C ATOM 631 CG1 VAL A 399 -2.526 9.328 2.769 1.00 14.13 C ATOM 632 CG2 VAL A 399 -0.904 10.626 4.166 1.00 10.02 C ATOM 0 H VAL A 399 1.261 10.762 1.677 1.00 52.22 H new ATOM 0 HA VAL A 399 -0.017 8.351 2.851 1.00 34.22 H new ATOM 0 HB VAL A 399 -1.334 10.973 2.106 1.00 72.50 H new ATOM 0 HG11 VAL A 399 -3.327 9.957 3.157 1.00 14.13 H new ATOM 0 HG12 VAL A 399 -2.767 9.018 1.752 1.00 14.13 H new ATOM 0 HG13 VAL A 399 -2.419 8.446 3.401 1.00 14.13 H new ATOM 0 HG21 VAL A 399 -1.733 11.236 4.526 1.00 10.02 H new ATOM 0 HG22 VAL A 399 -0.756 9.781 4.839 1.00 10.02 H new ATOM 0 HG23 VAL A 399 0.004 11.229 4.136 1.00 10.02 H new ATOM 638 N LEU A 400 -0.388 7.621 0.517 1.00 40.52 N ATOM 639 CA LEU A 400 -0.426 7.149 -0.827 1.00 13.24 C ATOM 640 C LEU A 400 -1.764 6.429 -1.106 1.00 54.15 C ATOM 641 O LEU A 400 -2.190 5.570 -0.328 1.00 41.14 O ATOM 642 CB LEU A 400 0.747 6.174 -1.019 1.00 2.13 C ATOM 643 CG LEU A 400 2.122 6.566 -0.392 1.00 70.42 C ATOM 644 CD1 LEU A 400 3.174 5.534 -0.706 1.00 40.35 C ATOM 645 CD2 LEU A 400 2.597 7.929 -0.828 1.00 62.25 C ATOM 0 H LEU A 400 -0.418 6.888 1.226 1.00 40.52 H new ATOM 0 HA LEU A 400 -0.343 7.986 -1.521 1.00 13.24 H new ATOM 0 HB2 LEU A 400 0.453 5.209 -0.607 1.00 2.13 H new ATOM 0 HB3 LEU A 400 0.894 6.032 -2.090 1.00 2.13 H new ATOM 0 HG LEU A 400 1.963 6.604 0.686 1.00 70.42 H new ATOM 0 HD11 LEU A 400 4.122 5.832 -0.257 1.00 40.35 H new ATOM 0 HD12 LEU A 400 2.869 4.569 -0.302 1.00 40.35 H new ATOM 0 HD13 LEU A 400 3.294 5.453 -1.786 1.00 40.35 H new ATOM 0 HD21 LEU A 400 3.557 8.147 -0.360 1.00 62.25 H new ATOM 0 HD22 LEU A 400 2.709 7.946 -1.912 1.00 62.25 H new ATOM 0 HD23 LEU A 400 1.868 8.682 -0.527 1.00 62.25 H new ATOM 653 N LYS A 401 -2.418 6.792 -2.196 1.00 5.13 N ATOM 654 CA LYS A 401 -3.679 6.163 -2.606 1.00 24.10 C ATOM 655 C LYS A 401 -3.495 5.331 -3.839 1.00 52.45 C ATOM 656 O LYS A 401 -3.054 5.832 -4.893 1.00 73.13 O ATOM 657 CB LYS A 401 -4.781 7.195 -2.836 1.00 50.22 C ATOM 658 CG LYS A 401 -5.362 7.781 -1.567 1.00 13.11 C ATOM 659 CD LYS A 401 -6.193 6.759 -0.778 1.00 64.04 C ATOM 660 CE LYS A 401 -7.428 6.301 -1.547 1.00 52.42 C ATOM 661 NZ LYS A 401 -8.286 5.416 -0.722 1.00 74.11 N ATOM 0 H LYS A 401 -2.098 7.528 -2.826 1.00 5.13 H new ATOM 0 HA LYS A 401 -3.987 5.514 -1.786 1.00 24.10 H new ATOM 0 HB2 LYS A 401 -4.382 8.005 -3.447 1.00 50.22 H new ATOM 0 HB3 LYS A 401 -5.584 6.730 -3.408 1.00 50.22 H new ATOM 0 HG2 LYS A 401 -4.553 8.151 -0.937 1.00 13.11 H new ATOM 0 HG3 LYS A 401 -5.988 8.637 -1.819 1.00 13.11 H new ATOM 0 HD2 LYS A 401 -5.573 5.894 -0.542 1.00 64.04 H new ATOM 0 HD3 LYS A 401 -6.501 7.199 0.171 1.00 64.04 H new ATOM 0 HE2 LYS A 401 -8.002 7.171 -1.867 1.00 52.42 H new ATOM 0 HE3 LYS A 401 -7.121 5.773 -2.450 1.00 52.42 H new ATOM 0 HZ1 LYS A 401 -9.090 5.082 -1.292 1.00 74.11 H new ATOM 0 HZ2 LYS A 401 -7.730 4.600 -0.396 1.00 74.11 H new ATOM 0 HZ3 LYS A 401 -8.640 5.945 0.101 1.00 74.11 H new ATOM 675 N TYR A 402 -3.819 4.070 -3.721 1.00 13.22 N ATOM 676 CA TYR A 402 -3.676 3.153 -4.832 1.00 2.04 C ATOM 677 C TYR A 402 -5.044 2.659 -5.210 1.00 45.45 C ATOM 678 O TYR A 402 -5.812 2.286 -4.338 1.00 54.42 O ATOM 679 CB TYR A 402 -2.832 1.939 -4.433 1.00 23.15 C ATOM 680 CG TYR A 402 -1.733 2.241 -3.465 1.00 63.22 C ATOM 681 CD1 TYR A 402 -0.799 3.198 -3.732 1.00 33.23 C ATOM 682 CD2 TYR A 402 -1.630 1.543 -2.277 1.00 21.24 C ATOM 683 CE1 TYR A 402 0.204 3.456 -2.855 1.00 50.12 C ATOM 684 CE2 TYR A 402 -0.618 1.806 -1.393 1.00 60.44 C ATOM 685 CZ TYR A 402 0.292 2.761 -1.693 1.00 3.30 C ATOM 686 OH TYR A 402 1.313 3.024 -0.830 1.00 34.14 O ATOM 0 H TYR A 402 -4.185 3.649 -2.867 1.00 13.22 H new ATOM 0 HA TYR A 402 -3.189 3.672 -5.658 1.00 2.04 H new ATOM 0 HB2 TYR A 402 -3.487 1.184 -3.997 1.00 23.15 H new ATOM 0 HB3 TYR A 402 -2.398 1.503 -5.332 1.00 23.15 H new ATOM 0 HD1 TYR A 402 -0.858 3.758 -4.654 1.00 33.23 H new ATOM 0 HD2 TYR A 402 -2.357 0.780 -2.043 1.00 21.24 H new ATOM 0 HE1 TYR A 402 0.935 4.218 -3.083 1.00 50.12 H new ATOM 0 HE2 TYR A 402 -0.547 1.257 -0.466 1.00 60.44 H new ATOM 0 HH TYR A 402 2.157 2.708 -1.215 1.00 34.14 H new ATOM 696 N GLU A 403 -5.356 2.678 -6.473 1.00 21.31 N ATOM 697 CA GLU A 403 -6.631 2.203 -6.962 1.00 61.52 C ATOM 698 C GLU A 403 -6.491 1.602 -8.345 1.00 70.24 C ATOM 699 O GLU A 403 -5.385 1.563 -8.887 1.00 51.43 O ATOM 700 CB GLU A 403 -7.720 3.277 -6.905 1.00 51.14 C ATOM 701 CG GLU A 403 -7.429 4.545 -7.668 1.00 61.13 C ATOM 702 CD GLU A 403 -8.571 5.513 -7.565 1.00 64.33 C ATOM 703 OE1 GLU A 403 -8.630 6.284 -6.584 1.00 43.31 O ATOM 704 OE2 GLU A 403 -9.453 5.506 -8.447 1.00 12.35 O ATOM 0 H GLU A 403 -4.733 3.025 -7.203 1.00 21.31 H new ATOM 0 HA GLU A 403 -6.960 1.411 -6.289 1.00 61.52 H new ATOM 0 HB2 GLU A 403 -8.647 2.849 -7.288 1.00 51.14 H new ATOM 0 HB3 GLU A 403 -7.895 3.535 -5.861 1.00 51.14 H new ATOM 0 HG2 GLU A 403 -6.521 5.006 -7.279 1.00 61.13 H new ATOM 0 HG3 GLU A 403 -7.243 4.308 -8.715 1.00 61.13 H new ATOM 711 N ASN A 404 -7.597 1.082 -8.881 1.00 74.35 N ATOM 712 CA ASN A 404 -7.645 0.513 -10.248 1.00 22.11 C ATOM 713 C ASN A 404 -6.786 -0.735 -10.355 1.00 63.11 C ATOM 714 O ASN A 404 -6.213 -1.020 -11.398 1.00 45.34 O ATOM 715 CB ASN A 404 -7.201 1.563 -11.304 1.00 5.20 C ATOM 716 CG ASN A 404 -8.106 2.788 -11.394 1.00 24.50 C ATOM 717 OD1 ASN A 404 -9.390 2.611 -11.181 1.00 30.40 O flip ATOM 718 ND2 ASN A 404 -7.644 3.894 -11.693 1.00 34.42 N flip ATOM 0 H ASN A 404 -8.489 1.039 -8.388 1.00 74.35 H new ATOM 0 HA ASN A 404 -8.679 0.234 -10.450 1.00 22.11 H new ATOM 0 HB2 ASN A 404 -6.188 1.891 -11.069 1.00 5.20 H new ATOM 0 HB3 ASN A 404 -7.162 1.083 -12.282 1.00 5.20 H new ATOM 0 HD21 ASN A 404 -6.642 4.002 -11.853 1.00 34.42 H new ATOM 0 HD22 ASN A 404 -8.264 4.699 -11.780 1.00 34.42 H new ATOM 724 N GLY A 405 -6.732 -1.499 -9.280 1.00 52.13 N ATOM 725 CA GLY A 405 -5.990 -2.738 -9.291 1.00 60.21 C ATOM 726 C GLY A 405 -6.757 -3.859 -9.969 1.00 64.04 C ATOM 727 O GLY A 405 -7.386 -3.659 -11.011 1.00 50.41 O ATOM 0 H GLY A 405 -7.191 -1.282 -8.395 1.00 52.13 H new ATOM 0 HA2 GLY A 405 -5.041 -2.587 -9.805 1.00 60.21 H new ATOM 0 HA3 GLY A 405 -5.755 -3.028 -8.267 1.00 60.21 H new ATOM 731 N GLN A 406 -6.734 -5.022 -9.381 1.00 45.13 N ATOM 732 CA GLN A 406 -7.396 -6.179 -9.941 1.00 50.22 C ATOM 733 C GLN A 406 -8.893 -6.034 -9.728 1.00 64.01 C ATOM 734 O GLN A 406 -9.320 -5.370 -8.777 1.00 62.21 O ATOM 735 CB GLN A 406 -6.881 -7.450 -9.299 1.00 64.31 C ATOM 736 CG GLN A 406 -7.202 -8.703 -10.063 1.00 22.15 C ATOM 737 CD GLN A 406 -6.683 -9.914 -9.374 1.00 45.22 C ATOM 738 OE1 GLN A 406 -5.543 -10.321 -9.579 1.00 64.22 O ATOM 739 NE2 GLN A 406 -7.499 -10.503 -8.566 1.00 73.14 N ATOM 0 H GLN A 406 -6.256 -5.201 -8.498 1.00 45.13 H new ATOM 0 HA GLN A 406 -7.186 -6.242 -11.009 1.00 50.22 H new ATOM 0 HB2 GLN A 406 -5.799 -7.374 -9.187 1.00 64.31 H new ATOM 0 HB3 GLN A 406 -7.300 -7.532 -8.296 1.00 64.31 H new ATOM 0 HG2 GLN A 406 -8.282 -8.788 -10.185 1.00 22.15 H new ATOM 0 HG3 GLN A 406 -6.772 -8.640 -11.063 1.00 22.15 H new ATOM 0 HE21 GLN A 406 -8.438 -10.129 -8.427 1.00 73.14 H new ATOM 0 HE22 GLN A 406 -7.205 -11.343 -8.067 1.00 73.14 H new ATOM 747 N SER A 407 -9.671 -6.608 -10.605 1.00 13.30 N ATOM 748 CA SER A 407 -11.115 -6.459 -10.590 1.00 33.20 C ATOM 749 C SER A 407 -11.734 -6.975 -9.293 1.00 5.02 C ATOM 750 O SER A 407 -11.390 -8.044 -8.800 1.00 32.43 O ATOM 751 CB SER A 407 -11.721 -7.163 -11.797 1.00 52.24 C ATOM 752 OG SER A 407 -11.186 -6.631 -13.004 1.00 10.11 O ATOM 0 H SER A 407 -9.325 -7.199 -11.360 1.00 13.30 H new ATOM 0 HA SER A 407 -11.341 -5.394 -10.645 1.00 33.20 H new ATOM 0 HB2 SER A 407 -11.517 -8.232 -11.742 1.00 52.24 H new ATOM 0 HB3 SER A 407 -12.804 -7.044 -11.789 1.00 52.24 H new ATOM 0 HG SER A 407 -11.584 -7.094 -13.770 1.00 10.11 H new ATOM 758 N CYS A 408 -12.607 -6.185 -8.740 1.00 72.23 N ATOM 759 CA CYS A 408 -13.304 -6.533 -7.535 1.00 73.22 C ATOM 760 C CYS A 408 -14.758 -6.787 -7.939 1.00 14.52 C ATOM 761 O CYS A 408 -15.248 -6.127 -8.856 1.00 41.54 O ATOM 762 CB CYS A 408 -13.184 -5.357 -6.547 1.00 2.54 C ATOM 763 SG CYS A 408 -13.780 -5.683 -4.867 1.00 34.34 S ATOM 0 H CYS A 408 -12.858 -5.271 -9.116 1.00 72.23 H new ATOM 0 HA CYS A 408 -12.896 -7.419 -7.047 1.00 73.22 H new ATOM 0 HB2 CYS A 408 -12.137 -5.059 -6.491 1.00 2.54 H new ATOM 0 HB3 CYS A 408 -13.736 -4.508 -6.951 1.00 2.54 H new ATOM 768 N TRP A 409 -15.434 -7.737 -7.309 1.00 22.44 N ATOM 769 CA TRP A 409 -16.800 -8.061 -7.724 1.00 21.25 C ATOM 770 C TRP A 409 -17.790 -7.076 -7.077 1.00 2.54 C ATOM 771 O TRP A 409 -18.747 -6.621 -7.702 1.00 43.34 O ATOM 772 CB TRP A 409 -17.175 -9.543 -7.363 1.00 2.02 C ATOM 773 CG TRP A 409 -17.691 -9.741 -5.974 1.00 44.04 C ATOM 774 CD1 TRP A 409 -16.994 -10.068 -4.870 1.00 2.51 C ATOM 775 CD2 TRP A 409 -19.050 -9.597 -5.572 1.00 73.13 C ATOM 776 NE1 TRP A 409 -17.839 -10.125 -3.784 1.00 61.52 N ATOM 777 CE2 TRP A 409 -19.112 -9.835 -4.203 1.00 70.30 C ATOM 778 CE3 TRP A 409 -20.219 -9.275 -6.261 1.00 22.22 C ATOM 779 CZ2 TRP A 409 -20.301 -9.760 -3.494 1.00 43.11 C ATOM 780 CZ3 TRP A 409 -21.402 -9.204 -5.565 1.00 22.24 C ATOM 781 CH2 TRP A 409 -21.437 -9.443 -4.189 1.00 65.34 C ATOM 0 H TRP A 409 -15.075 -8.287 -6.528 1.00 22.44 H new ATOM 0 HA TRP A 409 -16.859 -7.966 -8.808 1.00 21.25 H new ATOM 0 HB2 TRP A 409 -17.928 -9.894 -8.068 1.00 2.02 H new ATOM 0 HB3 TRP A 409 -16.293 -10.169 -7.500 1.00 2.02 H new ATOM 0 HD1 TRP A 409 -15.931 -10.257 -4.840 1.00 2.51 H new ATOM 0 HE1 TRP A 409 -17.564 -10.346 -2.827 1.00 61.52 H new ATOM 0 HE3 TRP A 409 -20.195 -9.085 -7.324 1.00 22.22 H new ATOM 0 HZ2 TRP A 409 -20.330 -9.945 -2.430 1.00 43.11 H new ATOM 0 HZ3 TRP A 409 -22.315 -8.961 -6.088 1.00 22.24 H new ATOM 0 HH2 TRP A 409 -22.378 -9.376 -3.664 1.00 65.34 H new ATOM 792 N ASN A 410 -17.523 -6.740 -5.834 1.00 3.23 N ATOM 793 CA ASN A 410 -18.377 -5.890 -5.028 1.00 54.13 C ATOM 794 C ASN A 410 -17.932 -4.437 -5.091 1.00 3.14 C ATOM 795 O ASN A 410 -18.314 -3.610 -4.266 1.00 71.22 O ATOM 796 CB ASN A 410 -18.463 -6.428 -3.566 1.00 62.13 C ATOM 797 CG ASN A 410 -17.123 -6.720 -2.892 1.00 21.11 C ATOM 798 OD1 ASN A 410 -16.136 -7.050 -3.539 1.00 5.00 O ATOM 799 ND2 ASN A 410 -17.100 -6.654 -1.595 1.00 11.54 N ATOM 0 H ASN A 410 -16.687 -7.057 -5.343 1.00 3.23 H new ATOM 0 HA ASN A 410 -19.385 -5.919 -5.442 1.00 54.13 H new ATOM 0 HB2 ASN A 410 -19.003 -5.700 -2.961 1.00 62.13 H new ATOM 0 HB3 ASN A 410 -19.056 -7.343 -3.568 1.00 62.13 H new ATOM 0 HD21 ASN A 410 -16.244 -6.880 -1.088 1.00 11.54 H new ATOM 0 HD22 ASN A 410 -17.938 -6.376 -1.084 1.00 11.54 H new ATOM 805 N GLY A 411 -17.169 -4.140 -6.119 1.00 65.51 N ATOM 806 CA GLY A 411 -16.668 -2.815 -6.398 1.00 32.01 C ATOM 807 C GLY A 411 -16.183 -2.796 -7.825 1.00 62.15 C ATOM 808 O GLY A 411 -16.561 -3.686 -8.583 1.00 11.13 O ATOM 0 H GLY A 411 -16.872 -4.835 -6.804 1.00 65.51 H new ATOM 0 HA2 GLY A 411 -17.452 -2.072 -6.251 1.00 32.01 H new ATOM 0 HA3 GLY A 411 -15.857 -2.562 -5.716 1.00 32.01 H new ATOM 812 N PRO A 412 -15.374 -1.820 -8.259 1.00 33.52 N ATOM 813 CA PRO A 412 -14.855 -1.843 -9.616 1.00 52.14 C ATOM 814 C PRO A 412 -13.498 -2.582 -9.725 1.00 74.54 C ATOM 815 O PRO A 412 -13.299 -3.412 -10.607 1.00 64.53 O ATOM 816 CB PRO A 412 -14.673 -0.351 -9.936 1.00 43.12 C ATOM 817 CG PRO A 412 -14.558 0.360 -8.601 1.00 54.05 C ATOM 818 CD PRO A 412 -14.971 -0.618 -7.513 1.00 33.10 C ATOM 0 HA PRO A 412 -15.519 -2.374 -10.299 1.00 52.14 H new ATOM 0 HB2 PRO A 412 -13.781 -0.189 -10.541 1.00 43.12 H new ATOM 0 HB3 PRO A 412 -15.519 0.030 -10.508 1.00 43.12 H new ATOM 0 HG2 PRO A 412 -13.536 0.703 -8.438 1.00 54.05 H new ATOM 0 HG3 PRO A 412 -15.197 1.243 -8.583 1.00 54.05 H new ATOM 0 HD2 PRO A 412 -14.148 -0.828 -6.830 1.00 33.10 H new ATOM 0 HD3 PRO A 412 -15.792 -0.226 -6.912 1.00 33.10 H new ATOM 826 N HIS A 413 -12.617 -2.338 -8.776 1.00 4.41 N ATOM 827 CA HIS A 413 -11.276 -2.917 -8.713 1.00 3.23 C ATOM 828 C HIS A 413 -10.791 -2.734 -7.312 1.00 0.21 C ATOM 829 O HIS A 413 -11.398 -1.975 -6.554 1.00 53.13 O ATOM 830 CB HIS A 413 -10.249 -2.223 -9.669 1.00 45.55 C ATOM 831 CG HIS A 413 -10.512 -2.371 -11.135 1.00 70.31 C ATOM 832 ND1 HIS A 413 -10.092 -3.448 -11.874 1.00 33.22 N ATOM 833 CD2 HIS A 413 -11.176 -1.578 -11.989 1.00 63.05 C ATOM 834 CE1 HIS A 413 -10.498 -3.308 -13.107 1.00 12.55 C ATOM 835 NE2 HIS A 413 -11.157 -2.181 -13.204 1.00 65.33 N ATOM 0 H HIS A 413 -12.815 -1.710 -7.997 1.00 4.41 H new ATOM 0 HA HIS A 413 -11.345 -3.960 -9.021 1.00 3.23 H new ATOM 0 HB2 HIS A 413 -10.222 -1.160 -9.431 1.00 45.55 H new ATOM 0 HB3 HIS A 413 -9.257 -2.622 -9.456 1.00 45.55 H new ATOM 0 HD2 HIS A 413 -11.641 -0.632 -11.753 1.00 63.05 H new ATOM 0 HE1 HIS A 413 -10.320 -4.005 -13.912 1.00 12.55 H new ATOM 0 HE2 HIS A 413 -11.586 -1.816 -14.054 1.00 65.33 H new ATOM 844 N ARG A 414 -9.738 -3.408 -6.955 1.00 54.23 N ATOM 845 CA ARG A 414 -9.162 -3.240 -5.659 1.00 64.22 C ATOM 846 C ARG A 414 -8.352 -1.982 -5.562 1.00 4.24 C ATOM 847 O ARG A 414 -7.906 -1.415 -6.583 1.00 54.45 O ATOM 848 CB ARG A 414 -8.382 -4.460 -5.194 1.00 74.23 C ATOM 849 CG ARG A 414 -9.286 -5.593 -4.767 1.00 70.22 C ATOM 850 CD ARG A 414 -8.532 -6.876 -4.495 1.00 0.54 C ATOM 851 NE ARG A 414 -9.463 -7.962 -4.149 1.00 34.31 N ATOM 852 CZ ARG A 414 -9.414 -9.214 -4.624 1.00 2.33 C ATOM 853 NH1 ARG A 414 -8.487 -9.569 -5.500 1.00 31.01 N ATOM 854 NH2 ARG A 414 -10.297 -10.099 -4.223 1.00 53.15 N ATOM 0 H ARG A 414 -9.259 -4.084 -7.550 1.00 54.23 H new ATOM 0 HA ARG A 414 -9.998 -3.136 -4.968 1.00 64.22 H new ATOM 0 HB2 ARG A 414 -7.732 -4.801 -6.000 1.00 74.23 H new ATOM 0 HB3 ARG A 414 -7.737 -4.180 -4.361 1.00 74.23 H new ATOM 0 HG2 ARG A 414 -9.829 -5.299 -3.869 1.00 70.22 H new ATOM 0 HG3 ARG A 414 -10.029 -5.772 -5.545 1.00 70.22 H new ATOM 0 HD2 ARG A 414 -7.950 -7.155 -5.373 1.00 0.54 H new ATOM 0 HD3 ARG A 414 -7.825 -6.723 -3.680 1.00 0.54 H new ATOM 0 HE ARG A 414 -10.210 -7.743 -3.490 1.00 34.31 H new ATOM 0 HH11 ARG A 414 -7.800 -8.886 -5.820 1.00 31.01 H new ATOM 0 HH12 ARG A 414 -8.460 -10.525 -5.854 1.00 31.01 H new ATOM 0 HH21 ARG A 414 -11.017 -9.833 -3.552 1.00 53.15 H new ATOM 0 HH22 ARG A 414 -10.263 -11.053 -4.583 1.00 53.15 H new ATOM 866 N SER A 415 -8.179 -1.545 -4.356 1.00 3.32 N ATOM 867 CA SER A 415 -7.514 -0.342 -4.057 1.00 41.11 C ATOM 868 C SER A 415 -7.071 -0.354 -2.587 1.00 1.13 C ATOM 869 O SER A 415 -7.533 -1.192 -1.809 1.00 23.42 O ATOM 870 CB SER A 415 -8.465 0.824 -4.350 1.00 64.34 C ATOM 871 OG SER A 415 -9.716 0.630 -3.705 1.00 25.12 O ATOM 0 H SER A 415 -8.513 -2.043 -3.531 1.00 3.32 H new ATOM 0 HA SER A 415 -6.621 -0.228 -4.672 1.00 41.11 H new ATOM 0 HB2 SER A 415 -8.017 1.758 -4.011 1.00 64.34 H new ATOM 0 HB3 SER A 415 -8.616 0.915 -5.426 1.00 64.34 H new ATOM 0 HG SER A 415 -10.307 1.386 -3.904 1.00 25.12 H new ATOM 877 N ALA A 416 -6.197 0.555 -2.215 1.00 63.43 N ATOM 878 CA ALA A 416 -5.697 0.630 -0.869 1.00 25.44 C ATOM 879 C ALA A 416 -5.119 1.988 -0.597 1.00 75.10 C ATOM 880 O ALA A 416 -4.679 2.687 -1.507 1.00 34.44 O ATOM 881 CB ALA A 416 -4.640 -0.441 -0.620 1.00 62.53 C ATOM 0 H ALA A 416 -5.815 1.263 -2.842 1.00 63.43 H new ATOM 0 HA ALA A 416 -6.533 0.458 -0.192 1.00 25.44 H new ATOM 0 HB1 ALA A 416 -4.278 -0.363 0.405 1.00 62.53 H new ATOM 0 HB2 ALA A 416 -5.077 -1.427 -0.776 1.00 62.53 H new ATOM 0 HB3 ALA A 416 -3.809 -0.299 -1.310 1.00 62.53 H new ATOM 887 N ILE A 417 -5.175 2.376 0.626 1.00 21.34 N ATOM 888 CA ILE A 417 -4.551 3.576 1.077 1.00 61.11 C ATOM 889 C ILE A 417 -3.428 3.226 2.044 1.00 75.42 C ATOM 890 O ILE A 417 -3.621 2.457 2.983 1.00 35.31 O ATOM 891 CB ILE A 417 -5.550 4.567 1.758 1.00 20.34 C ATOM 892 CG1 ILE A 417 -4.788 5.821 2.232 1.00 4.23 C ATOM 893 CG2 ILE A 417 -6.322 3.906 2.900 1.00 63.51 C ATOM 894 CD1 ILE A 417 -5.640 6.864 2.933 1.00 2.32 C ATOM 0 H ILE A 417 -5.664 1.862 1.359 1.00 21.34 H new ATOM 0 HA ILE A 417 -4.156 4.086 0.198 1.00 61.11 H new ATOM 0 HB ILE A 417 -6.296 4.868 1.023 1.00 20.34 H new ATOM 0 HG12 ILE A 417 -3.992 5.510 2.909 1.00 4.23 H new ATOM 0 HG13 ILE A 417 -4.310 6.285 1.369 1.00 4.23 H new ATOM 0 HG21 ILE A 417 -7.004 4.630 3.345 1.00 63.51 H new ATOM 0 HG22 ILE A 417 -6.891 3.061 2.513 1.00 63.51 H new ATOM 0 HG23 ILE A 417 -5.621 3.555 3.658 1.00 63.51 H new ATOM 0 HD11 ILE A 417 -5.014 7.706 3.228 1.00 2.32 H new ATOM 0 HD12 ILE A 417 -6.420 7.211 2.256 1.00 2.32 H new ATOM 0 HD13 ILE A 417 -6.098 6.424 3.819 1.00 2.32 H new ATOM 901 N VAL A 418 -2.280 3.754 1.794 1.00 73.42 N ATOM 902 CA VAL A 418 -1.148 3.553 2.643 1.00 65.41 C ATOM 903 C VAL A 418 -0.722 4.841 3.305 1.00 44.35 C ATOM 904 O VAL A 418 -0.548 5.877 2.653 1.00 1.54 O ATOM 905 CB VAL A 418 0.044 2.880 1.899 1.00 11.45 C ATOM 906 CG1 VAL A 418 1.355 3.176 2.566 1.00 53.33 C ATOM 907 CG2 VAL A 418 -0.131 1.382 1.887 1.00 73.14 C ATOM 0 H VAL A 418 -2.094 4.346 0.984 1.00 73.42 H new ATOM 0 HA VAL A 418 -1.463 2.860 3.423 1.00 65.41 H new ATOM 0 HB VAL A 418 0.052 3.283 0.886 1.00 11.45 H new ATOM 0 HG11 VAL A 418 2.161 2.689 2.017 1.00 53.33 H new ATOM 0 HG12 VAL A 418 1.523 4.253 2.577 1.00 53.33 H new ATOM 0 HG13 VAL A 418 1.335 2.802 3.589 1.00 53.33 H new ATOM 0 HG21 VAL A 418 0.708 0.922 1.365 1.00 73.14 H new ATOM 0 HG22 VAL A 418 -0.167 1.012 2.912 1.00 73.14 H new ATOM 0 HG23 VAL A 418 -1.060 1.128 1.376 1.00 73.14 H new ATOM 913 N THR A 419 -0.600 4.780 4.591 1.00 75.04 N ATOM 914 CA THR A 419 -0.093 5.859 5.355 1.00 32.45 C ATOM 915 C THR A 419 1.288 5.475 5.846 1.00 52.44 C ATOM 916 O THR A 419 1.432 4.514 6.621 1.00 72.24 O ATOM 917 CB THR A 419 -1.014 6.150 6.549 1.00 73.14 C ATOM 918 OG1 THR A 419 -1.246 4.933 7.273 1.00 44.34 O ATOM 919 CG2 THR A 419 -2.337 6.744 6.095 1.00 12.14 C ATOM 0 H THR A 419 -0.856 3.962 5.144 1.00 75.04 H new ATOM 0 HA THR A 419 -0.043 6.759 4.743 1.00 32.45 H new ATOM 0 HB THR A 419 -0.526 6.880 7.194 1.00 73.14 H new ATOM 0 HG1 THR A 419 -2.151 4.608 7.085 1.00 44.34 H new ATOM 0 HG21 THR A 419 -2.966 6.938 6.964 1.00 12.14 H new ATOM 0 HG22 THR A 419 -2.153 7.678 5.564 1.00 12.14 H new ATOM 0 HG23 THR A 419 -2.842 6.042 5.431 1.00 12.14 H new ATOM 925 N VAL A 420 2.282 6.178 5.389 1.00 5.11 N ATOM 926 CA VAL A 420 3.649 5.879 5.752 1.00 44.41 C ATOM 927 C VAL A 420 4.083 6.853 6.828 1.00 4.24 C ATOM 928 O VAL A 420 4.110 8.039 6.594 1.00 11.42 O ATOM 929 CB VAL A 420 4.597 6.032 4.528 1.00 71.45 C ATOM 930 CG1 VAL A 420 6.004 5.612 4.877 1.00 51.21 C ATOM 931 CG2 VAL A 420 4.093 5.251 3.331 1.00 42.12 C ATOM 0 H VAL A 420 2.177 6.972 4.757 1.00 5.11 H new ATOM 0 HA VAL A 420 3.703 4.850 6.108 1.00 44.41 H new ATOM 0 HB VAL A 420 4.608 7.088 4.258 1.00 71.45 H new ATOM 0 HG11 VAL A 420 6.646 5.729 4.004 1.00 51.21 H new ATOM 0 HG12 VAL A 420 6.379 6.235 5.689 1.00 51.21 H new ATOM 0 HG13 VAL A 420 6.005 4.568 5.191 1.00 51.21 H new ATOM 0 HG21 VAL A 420 4.781 5.382 2.495 1.00 42.12 H new ATOM 0 HG22 VAL A 420 4.030 4.193 3.587 1.00 42.12 H new ATOM 0 HG23 VAL A 420 3.105 5.615 3.048 1.00 42.12 H new ATOM 937 N GLU A 421 4.384 6.354 8.002 1.00 74.41 N ATOM 938 CA GLU A 421 4.775 7.219 9.108 1.00 42.12 C ATOM 939 C GLU A 421 6.224 6.989 9.504 1.00 33.03 C ATOM 940 O GLU A 421 6.935 6.254 8.848 1.00 24.23 O ATOM 941 CB GLU A 421 3.882 6.976 10.297 1.00 3.13 C ATOM 942 CG GLU A 421 2.427 7.205 10.029 1.00 33.52 C ATOM 943 CD GLU A 421 1.620 6.943 11.239 1.00 21.34 C ATOM 944 OE1 GLU A 421 1.309 5.775 11.499 1.00 35.34 O ATOM 945 OE2 GLU A 421 1.301 7.894 11.960 1.00 72.35 O ATOM 0 H GLU A 421 4.368 5.359 8.224 1.00 74.41 H new ATOM 0 HA GLU A 421 4.669 8.252 8.776 1.00 42.12 H new ATOM 0 HB2 GLU A 421 4.020 5.950 10.637 1.00 3.13 H new ATOM 0 HB3 GLU A 421 4.197 7.627 11.113 1.00 3.13 H new ATOM 0 HG2 GLU A 421 2.271 8.232 9.699 1.00 33.52 H new ATOM 0 HG3 GLU A 421 2.096 6.556 9.219 1.00 33.52 H new ATOM 952 N CYS A 422 6.633 7.623 10.580 1.00 61.03 N ATOM 953 CA CYS A 422 7.991 7.546 11.092 1.00 24.25 C ATOM 954 C CYS A 422 8.379 6.115 11.415 1.00 10.02 C ATOM 955 O CYS A 422 7.651 5.403 12.094 1.00 55.11 O ATOM 956 CB CYS A 422 8.107 8.418 12.351 1.00 12.24 C ATOM 957 SG CYS A 422 9.734 8.358 13.209 1.00 53.35 S ATOM 0 H CYS A 422 6.022 8.220 11.138 1.00 61.03 H new ATOM 0 HA CYS A 422 8.673 7.910 10.323 1.00 24.25 H new ATOM 0 HB2 CYS A 422 7.899 9.452 12.076 1.00 12.24 H new ATOM 0 HB3 CYS A 422 7.333 8.113 13.055 1.00 12.24 H new ATOM 962 N GLY A 423 9.507 5.700 10.911 1.00 53.15 N ATOM 963 CA GLY A 423 9.999 4.384 11.179 1.00 24.13 C ATOM 964 C GLY A 423 11.461 4.302 10.901 1.00 21.21 C ATOM 965 O GLY A 423 12.079 5.302 10.546 1.00 63.53 O ATOM 0 H GLY A 423 10.106 6.263 10.307 1.00 53.15 H new ATOM 0 HA2 GLY A 423 9.806 4.123 12.220 1.00 24.13 H new ATOM 0 HA3 GLY A 423 9.466 3.659 10.565 1.00 24.13 H new ATOM 969 N VAL A 424 12.019 3.143 11.060 1.00 73.01 N ATOM 970 CA VAL A 424 13.416 2.927 10.781 1.00 61.23 C ATOM 971 C VAL A 424 13.580 2.522 9.319 1.00 22.45 C ATOM 972 O VAL A 424 14.547 2.915 8.653 1.00 64.41 O ATOM 973 CB VAL A 424 14.020 1.831 11.712 1.00 41.20 C ATOM 974 CG1 VAL A 424 15.503 1.604 11.425 1.00 20.41 C ATOM 975 CG2 VAL A 424 13.816 2.204 13.174 1.00 32.51 C ATOM 0 H VAL A 424 11.523 2.314 11.387 1.00 73.01 H new ATOM 0 HA VAL A 424 13.955 3.855 10.971 1.00 61.23 H new ATOM 0 HB VAL A 424 13.495 0.898 11.507 1.00 41.20 H new ATOM 0 HG11 VAL A 424 15.889 0.834 12.093 1.00 20.41 H new ATOM 0 HG12 VAL A 424 15.629 1.284 10.391 1.00 20.41 H new ATOM 0 HG13 VAL A 424 16.051 2.532 11.586 1.00 20.41 H new ATOM 0 HG21 VAL A 424 14.243 1.429 13.810 1.00 32.51 H new ATOM 0 HG22 VAL A 424 14.309 3.154 13.379 1.00 32.51 H new ATOM 0 HG23 VAL A 424 12.750 2.296 13.381 1.00 32.51 H new ATOM 981 N GLU A 425 12.612 1.777 8.811 1.00 64.34 N ATOM 982 CA GLU A 425 12.639 1.300 7.447 1.00 13.43 C ATOM 983 C GLU A 425 11.211 0.996 6.978 1.00 24.41 C ATOM 984 O GLU A 425 10.300 0.863 7.802 1.00 52.21 O ATOM 985 CB GLU A 425 13.504 0.037 7.375 1.00 74.21 C ATOM 986 CG GLU A 425 13.676 -0.545 5.989 1.00 51.51 C ATOM 987 CD GLU A 425 14.481 -1.802 6.005 1.00 12.32 C ATOM 988 OE1 GLU A 425 13.910 -2.866 6.283 1.00 32.32 O ATOM 989 OE2 GLU A 425 15.698 -1.745 5.744 1.00 60.52 O ATOM 0 H GLU A 425 11.787 1.488 9.337 1.00 64.34 H new ATOM 0 HA GLU A 425 13.064 2.063 6.795 1.00 13.43 H new ATOM 0 HB2 GLU A 425 14.489 0.267 7.781 1.00 74.21 H new ATOM 0 HB3 GLU A 425 13.063 -0.724 8.019 1.00 74.21 H new ATOM 0 HG2 GLU A 425 12.696 -0.748 5.557 1.00 51.51 H new ATOM 0 HG3 GLU A 425 14.162 0.188 5.346 1.00 51.51 H new ATOM 996 N ASN A 426 11.029 0.933 5.664 1.00 25.32 N ATOM 997 CA ASN A 426 9.761 0.567 5.038 1.00 1.05 C ATOM 998 C ASN A 426 9.304 -0.820 5.419 1.00 20.42 C ATOM 999 O ASN A 426 9.875 -1.829 4.985 1.00 2.12 O ATOM 1000 CB ASN A 426 9.835 0.699 3.513 1.00 44.31 C ATOM 1001 CG ASN A 426 9.611 2.105 2.998 1.00 75.01 C ATOM 1002 OD1 ASN A 426 8.678 2.806 3.581 1.00 23.24 O flip ATOM 1003 ND2 ASN A 426 10.240 2.535 2.035 1.00 2.11 N flip ATOM 0 H ASN A 426 11.769 1.138 4.992 1.00 25.32 H new ATOM 0 HA ASN A 426 9.020 1.270 5.417 1.00 1.05 H new ATOM 0 HB2 ASN A 426 10.812 0.353 3.177 1.00 44.31 H new ATOM 0 HB3 ASN A 426 9.092 0.038 3.066 1.00 44.31 H new ATOM 0 HD21 ASN A 426 10.964 1.962 1.601 1.00 2.11 H new ATOM 0 HD22 ASN A 426 10.039 3.465 1.669 1.00 2.11 H new ATOM 1009 N GLU A 427 8.314 -0.860 6.254 1.00 52.32 N ATOM 1010 CA GLU A 427 7.692 -2.083 6.677 1.00 31.22 C ATOM 1011 C GLU A 427 6.180 -1.934 6.561 1.00 44.21 C ATOM 1012 O GLU A 427 5.653 -0.811 6.702 1.00 11.10 O ATOM 1013 CB GLU A 427 8.077 -2.395 8.129 1.00 44.33 C ATOM 1014 CG GLU A 427 7.532 -3.717 8.641 1.00 1.04 C ATOM 1015 CD GLU A 427 8.081 -4.901 7.881 1.00 52.32 C ATOM 1016 OE1 GLU A 427 7.731 -5.080 6.699 1.00 74.55 O ATOM 1017 OE2 GLU A 427 8.887 -5.658 8.457 1.00 31.32 O ATOM 0 H GLU A 427 7.903 -0.025 6.673 1.00 52.32 H new ATOM 0 HA GLU A 427 8.031 -2.903 6.044 1.00 31.22 H new ATOM 0 HB2 GLU A 427 9.164 -2.405 8.212 1.00 44.33 H new ATOM 0 HB3 GLU A 427 7.716 -1.592 8.771 1.00 44.33 H new ATOM 0 HG2 GLU A 427 7.777 -3.822 9.698 1.00 1.04 H new ATOM 0 HG3 GLU A 427 6.445 -3.712 8.564 1.00 1.04 H new ATOM 1024 N ILE A 428 5.486 -3.031 6.280 1.00 74.12 N ATOM 1025 CA ILE A 428 4.038 -3.013 6.243 1.00 75.15 C ATOM 1026 C ILE A 428 3.571 -3.354 7.642 1.00 32.44 C ATOM 1027 O ILE A 428 3.884 -4.428 8.161 1.00 23.21 O ATOM 1028 CB ILE A 428 3.445 -4.083 5.293 1.00 5.52 C ATOM 1029 CG1 ILE A 428 4.066 -4.022 3.889 1.00 63.23 C ATOM 1030 CG2 ILE A 428 1.929 -3.899 5.204 1.00 54.35 C ATOM 1031 CD1 ILE A 428 3.824 -2.728 3.159 1.00 71.13 C ATOM 0 H ILE A 428 5.905 -3.938 6.076 1.00 74.12 H new ATOM 0 HA ILE A 428 3.713 -2.035 5.889 1.00 75.15 H new ATOM 0 HB ILE A 428 3.680 -5.064 5.706 1.00 5.52 H new ATOM 0 HG12 ILE A 428 5.141 -4.182 3.973 1.00 63.23 H new ATOM 0 HG13 ILE A 428 3.667 -4.842 3.292 1.00 63.23 H new ATOM 0 HG21 ILE A 428 1.510 -4.651 4.536 1.00 54.35 H new ATOM 0 HG22 ILE A 428 1.490 -4.010 6.196 1.00 54.35 H new ATOM 0 HG23 ILE A 428 1.705 -2.905 4.817 1.00 54.35 H new ATOM 0 HD11 ILE A 428 4.296 -2.770 2.177 1.00 71.13 H new ATOM 0 HD12 ILE A 428 2.752 -2.573 3.040 1.00 71.13 H new ATOM 0 HD13 ILE A 428 4.249 -1.903 3.731 1.00 71.13 H new ATOM 1038 N VAL A 429 2.850 -2.470 8.233 1.00 41.33 N ATOM 1039 CA VAL A 429 2.394 -2.631 9.585 1.00 12.42 C ATOM 1040 C VAL A 429 1.105 -3.450 9.667 1.00 44.03 C ATOM 1041 O VAL A 429 1.018 -4.412 10.448 1.00 21.30 O ATOM 1042 CB VAL A 429 2.205 -1.249 10.254 1.00 24.42 C ATOM 1043 CG1 VAL A 429 1.478 -1.358 11.581 1.00 44.51 C ATOM 1044 CG2 VAL A 429 3.554 -0.568 10.444 1.00 10.50 C ATOM 0 H VAL A 429 2.551 -1.599 7.794 1.00 41.33 H new ATOM 0 HA VAL A 429 3.161 -3.187 10.124 1.00 12.42 H new ATOM 0 HB VAL A 429 1.587 -0.643 9.591 1.00 24.42 H new ATOM 0 HG11 VAL A 429 1.366 -0.365 12.017 1.00 44.51 H new ATOM 0 HG12 VAL A 429 0.493 -1.797 11.421 1.00 44.51 H new ATOM 0 HG13 VAL A 429 2.052 -1.990 12.259 1.00 44.51 H new ATOM 0 HG21 VAL A 429 3.408 0.404 10.916 1.00 10.50 H new ATOM 0 HG22 VAL A 429 4.188 -1.187 11.078 1.00 10.50 H new ATOM 0 HG23 VAL A 429 4.033 -0.432 9.474 1.00 10.50 H new ATOM 1050 N SER A 430 0.130 -3.104 8.863 1.00 74.45 N ATOM 1051 CA SER A 430 -1.157 -3.737 8.948 1.00 53.23 C ATOM 1052 C SER A 430 -1.973 -3.449 7.716 1.00 20.52 C ATOM 1053 O SER A 430 -1.642 -2.538 6.952 1.00 5.03 O ATOM 1054 CB SER A 430 -1.893 -3.233 10.203 1.00 2.01 C ATOM 1055 OG SER A 430 -1.995 -1.810 10.204 1.00 41.21 O ATOM 0 H SER A 430 0.206 -2.386 8.142 1.00 74.45 H new ATOM 0 HA SER A 430 -1.017 -4.816 9.018 1.00 53.23 H new ATOM 0 HB2 SER A 430 -2.890 -3.672 10.244 1.00 2.01 H new ATOM 0 HB3 SER A 430 -1.362 -3.563 11.096 1.00 2.01 H new ATOM 0 HG SER A 430 -2.468 -1.516 11.011 1.00 41.21 H new ATOM 1061 N VAL A 431 -3.014 -4.227 7.521 1.00 13.54 N ATOM 1062 CA VAL A 431 -3.924 -4.044 6.434 1.00 74.14 C ATOM 1063 C VAL A 431 -5.337 -4.335 6.904 1.00 2.33 C ATOM 1064 O VAL A 431 -5.638 -5.432 7.389 1.00 53.41 O ATOM 1065 CB VAL A 431 -3.534 -4.865 5.160 1.00 23.41 C ATOM 1066 CG1 VAL A 431 -3.339 -6.330 5.462 1.00 42.03 C ATOM 1067 CG2 VAL A 431 -4.567 -4.685 4.062 1.00 10.33 C ATOM 0 H VAL A 431 -3.248 -5.014 8.127 1.00 13.54 H new ATOM 0 HA VAL A 431 -3.868 -3.002 6.118 1.00 74.14 H new ATOM 0 HB VAL A 431 -2.578 -4.473 4.812 1.00 23.41 H new ATOM 0 HG11 VAL A 431 -3.070 -6.857 4.547 1.00 42.03 H new ATOM 0 HG12 VAL A 431 -2.542 -6.447 6.196 1.00 42.03 H new ATOM 0 HG13 VAL A 431 -4.264 -6.745 5.861 1.00 42.03 H new ATOM 0 HG21 VAL A 431 -4.273 -5.265 3.187 1.00 10.33 H new ATOM 0 HG22 VAL A 431 -5.539 -5.029 4.416 1.00 10.33 H new ATOM 0 HG23 VAL A 431 -4.632 -3.631 3.793 1.00 10.33 H new ATOM 1073 N LEU A 432 -6.175 -3.361 6.808 1.00 31.53 N ATOM 1074 CA LEU A 432 -7.528 -3.469 7.277 1.00 21.11 C ATOM 1075 C LEU A 432 -8.457 -3.105 6.147 1.00 21.22 C ATOM 1076 O LEU A 432 -8.191 -2.158 5.425 1.00 3.22 O ATOM 1077 CB LEU A 432 -7.738 -2.521 8.455 1.00 44.10 C ATOM 1078 CG LEU A 432 -9.026 -2.691 9.243 1.00 52.24 C ATOM 1079 CD1 LEU A 432 -9.067 -4.070 9.878 1.00 32.42 C ATOM 1080 CD2 LEU A 432 -9.132 -1.616 10.307 1.00 64.32 C ATOM 0 H LEU A 432 -5.946 -2.455 6.399 1.00 31.53 H new ATOM 0 HA LEU A 432 -7.733 -4.487 7.608 1.00 21.11 H new ATOM 0 HB2 LEU A 432 -6.900 -2.640 9.142 1.00 44.10 H new ATOM 0 HB3 LEU A 432 -7.700 -1.498 8.080 1.00 44.10 H new ATOM 0 HG LEU A 432 -9.873 -2.593 8.564 1.00 52.24 H new ATOM 0 HD11 LEU A 432 -9.993 -4.184 10.441 1.00 32.42 H new ATOM 0 HD12 LEU A 432 -9.020 -4.831 9.099 1.00 32.42 H new ATOM 0 HD13 LEU A 432 -8.217 -4.186 10.550 1.00 32.42 H new ATOM 0 HD21 LEU A 432 -10.059 -1.747 10.866 1.00 64.32 H new ATOM 0 HD22 LEU A 432 -8.284 -1.693 10.988 1.00 64.32 H new ATOM 0 HD23 LEU A 432 -9.130 -0.634 9.834 1.00 64.32 H new ATOM 1088 N GLU A 433 -9.520 -3.838 5.972 1.00 0.03 N ATOM 1089 CA GLU A 433 -10.423 -3.568 4.879 1.00 55.24 C ATOM 1090 C GLU A 433 -11.317 -2.397 5.279 1.00 1.20 C ATOM 1091 O GLU A 433 -12.066 -2.474 6.254 1.00 21.22 O ATOM 1092 CB GLU A 433 -11.259 -4.813 4.575 1.00 63.25 C ATOM 1093 CG GLU A 433 -12.128 -4.703 3.335 1.00 51.04 C ATOM 1094 CD GLU A 433 -12.940 -5.956 3.102 1.00 54.32 C ATOM 1095 OE1 GLU A 433 -12.373 -6.959 2.638 1.00 21.22 O ATOM 1096 OE2 GLU A 433 -14.152 -5.959 3.383 1.00 31.13 O ATOM 0 H GLU A 433 -9.785 -4.624 6.566 1.00 0.03 H new ATOM 0 HA GLU A 433 -9.867 -3.311 3.977 1.00 55.24 H new ATOM 0 HB2 GLU A 433 -10.589 -5.665 4.459 1.00 63.25 H new ATOM 0 HB3 GLU A 433 -11.898 -5.024 5.433 1.00 63.25 H new ATOM 0 HG2 GLU A 433 -12.799 -3.850 3.436 1.00 51.04 H new ATOM 0 HG3 GLU A 433 -11.498 -4.512 2.466 1.00 51.04 H new ATOM 1103 N ALA A 434 -11.195 -1.309 4.534 1.00 75.34 N ATOM 1104 CA ALA A 434 -11.888 -0.076 4.837 1.00 70.03 C ATOM 1105 C ALA A 434 -13.315 -0.133 4.347 1.00 3.10 C ATOM 1106 O ALA A 434 -14.264 0.017 5.121 1.00 42.35 O ATOM 1107 CB ALA A 434 -11.154 1.105 4.208 1.00 65.23 C ATOM 0 H ALA A 434 -10.609 -1.261 3.700 1.00 75.34 H new ATOM 0 HA ALA A 434 -11.905 0.057 5.919 1.00 70.03 H new ATOM 0 HB1 ALA A 434 -11.683 2.029 4.442 1.00 65.23 H new ATOM 0 HB2 ALA A 434 -10.140 1.157 4.606 1.00 65.23 H new ATOM 0 HB3 ALA A 434 -11.113 0.974 3.127 1.00 65.23 H new ATOM 1113 N GLN A 435 -13.467 -0.352 3.073 1.00 24.43 N ATOM 1114 CA GLN A 435 -14.772 -0.441 2.481 1.00 23.05 C ATOM 1115 C GLN A 435 -15.067 -1.880 2.072 1.00 52.25 C ATOM 1116 O GLN A 435 -15.771 -2.586 2.773 1.00 11.14 O ATOM 1117 CB GLN A 435 -14.914 0.545 1.314 1.00 30.14 C ATOM 1118 CG GLN A 435 -14.887 2.016 1.735 1.00 75.41 C ATOM 1119 CD GLN A 435 -15.003 2.969 0.558 1.00 44.42 C ATOM 1120 OE1 GLN A 435 -16.103 3.325 0.143 1.00 52.43 O ATOM 1121 NE2 GLN A 435 -13.893 3.423 0.041 1.00 1.31 N ATOM 0 H GLN A 435 -12.695 -0.473 2.417 1.00 24.43 H new ATOM 0 HA GLN A 435 -15.519 -0.154 3.221 1.00 23.05 H new ATOM 0 HB2 GLN A 435 -14.109 0.367 0.601 1.00 30.14 H new ATOM 0 HB3 GLN A 435 -15.850 0.344 0.794 1.00 30.14 H new ATOM 0 HG2 GLN A 435 -15.704 2.205 2.431 1.00 75.41 H new ATOM 0 HG3 GLN A 435 -13.959 2.219 2.270 1.00 75.41 H new ATOM 0 HE21 GLN A 435 -12.994 3.109 0.407 1.00 1.31 H new ATOM 0 HE22 GLN A 435 -13.925 4.092 -0.729 1.00 1.31 H new ATOM 1129 N LYS A 436 -14.513 -2.308 0.953 1.00 11.40 N ATOM 1130 CA LYS A 436 -14.651 -3.701 0.519 1.00 13.35 C ATOM 1131 C LYS A 436 -13.580 -4.068 -0.493 1.00 11.34 C ATOM 1132 O LYS A 436 -13.004 -5.147 -0.455 1.00 44.23 O ATOM 1133 CB LYS A 436 -16.072 -4.046 -0.023 1.00 55.43 C ATOM 1134 CG LYS A 436 -16.579 -3.287 -1.271 1.00 33.55 C ATOM 1135 CD LYS A 436 -16.983 -1.848 -0.987 1.00 2.50 C ATOM 1136 CE LYS A 436 -17.530 -1.172 -2.242 1.00 4.41 C ATOM 1137 NZ LYS A 436 -18.015 0.204 -1.980 1.00 3.52 N ATOM 0 H LYS A 436 -13.964 -1.721 0.325 1.00 11.40 H new ATOM 0 HA LYS A 436 -14.512 -4.308 1.413 1.00 13.35 H new ATOM 0 HB2 LYS A 436 -16.093 -5.112 -0.250 1.00 55.43 H new ATOM 0 HB3 LYS A 436 -16.786 -3.878 0.783 1.00 55.43 H new ATOM 0 HG2 LYS A 436 -15.798 -3.293 -2.031 1.00 33.55 H new ATOM 0 HG3 LYS A 436 -17.434 -3.820 -1.688 1.00 33.55 H new ATOM 0 HD2 LYS A 436 -17.738 -1.827 -0.201 1.00 2.50 H new ATOM 0 HD3 LYS A 436 -16.122 -1.292 -0.617 1.00 2.50 H new ATOM 0 HE2 LYS A 436 -16.750 -1.140 -3.003 1.00 4.41 H new ATOM 0 HE3 LYS A 436 -18.346 -1.771 -2.647 1.00 4.41 H new ATOM 0 HZ1 LYS A 436 -18.376 0.619 -2.863 1.00 3.52 H new ATOM 0 HZ2 LYS A 436 -18.778 0.175 -1.274 1.00 3.52 H new ATOM 0 HZ3 LYS A 436 -17.232 0.785 -1.619 1.00 3.52 H new ATOM 1151 N CYS A 437 -13.310 -3.157 -1.373 1.00 53.44 N ATOM 1152 CA CYS A 437 -12.313 -3.333 -2.394 1.00 64.22 C ATOM 1153 C CYS A 437 -11.166 -2.414 -2.092 1.00 53.21 C ATOM 1154 O CYS A 437 -10.252 -2.270 -2.865 1.00 43.24 O ATOM 1155 CB CYS A 437 -12.907 -2.954 -3.736 1.00 31.02 C ATOM 1156 SG CYS A 437 -14.419 -3.876 -4.195 1.00 34.31 S ATOM 0 H CYS A 437 -13.781 -2.253 -1.407 1.00 53.44 H new ATOM 0 HA CYS A 437 -11.975 -4.369 -2.421 1.00 64.22 H new ATOM 0 HB2 CYS A 437 -13.137 -1.889 -3.728 1.00 31.02 H new ATOM 0 HB3 CYS A 437 -12.154 -3.112 -4.508 1.00 31.02 H new ATOM 1161 N GLU A 438 -11.226 -1.822 -0.944 1.00 0.11 N ATOM 1162 CA GLU A 438 -10.272 -0.852 -0.523 1.00 51.51 C ATOM 1163 C GLU A 438 -9.808 -1.174 0.859 1.00 41.20 C ATOM 1164 O GLU A 438 -10.621 -1.446 1.757 1.00 40.44 O ATOM 1165 CB GLU A 438 -10.864 0.548 -0.595 1.00 43.23 C ATOM 1166 CG GLU A 438 -9.997 1.615 0.055 1.00 72.22 C ATOM 1167 CD GLU A 438 -10.592 2.983 -0.019 1.00 13.10 C ATOM 1168 OE1 GLU A 438 -11.357 3.340 0.875 1.00 43.53 O ATOM 1169 OE2 GLU A 438 -10.295 3.732 -0.970 1.00 65.25 O ATOM 0 H GLU A 438 -11.958 -2.005 -0.257 1.00 0.11 H new ATOM 0 HA GLU A 438 -9.412 -0.879 -1.193 1.00 51.51 H new ATOM 0 HB2 GLU A 438 -11.025 0.811 -1.640 1.00 43.23 H new ATOM 0 HB3 GLU A 438 -11.842 0.544 -0.113 1.00 43.23 H new ATOM 0 HG2 GLU A 438 -9.833 1.353 1.100 1.00 72.22 H new ATOM 0 HG3 GLU A 438 -9.020 1.624 -0.428 1.00 72.22 H new ATOM 1176 N TYR A 439 -8.527 -1.167 1.026 1.00 5.01 N ATOM 1177 CA TYR A 439 -7.913 -1.541 2.259 1.00 14.14 C ATOM 1178 C TYR A 439 -7.064 -0.394 2.774 1.00 70.32 C ATOM 1179 O TYR A 439 -6.571 0.413 1.994 1.00 62.13 O ATOM 1180 CB TYR A 439 -7.033 -2.772 2.001 1.00 53.42 C ATOM 1181 CG TYR A 439 -7.774 -3.886 1.281 1.00 43.31 C ATOM 1182 CD1 TYR A 439 -7.790 -3.949 -0.115 1.00 22.55 C ATOM 1183 CD2 TYR A 439 -8.478 -4.848 1.980 1.00 11.22 C ATOM 1184 CE1 TYR A 439 -8.474 -4.932 -0.773 1.00 3.20 C ATOM 1185 CE2 TYR A 439 -9.165 -5.844 1.314 1.00 42.34 C ATOM 1186 CZ TYR A 439 -9.155 -5.877 -0.061 1.00 32.34 C ATOM 1187 OH TYR A 439 -9.831 -6.867 -0.726 1.00 43.34 O ATOM 0 H TYR A 439 -7.866 -0.897 0.298 1.00 5.01 H new ATOM 0 HA TYR A 439 -8.671 -1.774 3.006 1.00 14.14 H new ATOM 0 HB2 TYR A 439 -6.167 -2.476 1.409 1.00 53.42 H new ATOM 0 HB3 TYR A 439 -6.655 -3.148 2.952 1.00 53.42 H new ATOM 0 HD1 TYR A 439 -7.251 -3.206 -0.685 1.00 22.55 H new ATOM 0 HD2 TYR A 439 -8.491 -4.821 3.060 1.00 11.22 H new ATOM 0 HE1 TYR A 439 -8.476 -4.961 -1.853 1.00 3.20 H new ATOM 0 HE2 TYR A 439 -9.708 -6.594 1.871 1.00 42.34 H new ATOM 0 HH TYR A 439 -10.263 -7.461 -0.077 1.00 43.34 H new ATOM 1197 N LEU A 440 -6.928 -0.299 4.062 1.00 14.41 N ATOM 1198 CA LEU A 440 -6.077 0.678 4.654 1.00 55.20 C ATOM 1199 C LEU A 440 -4.857 -0.040 5.189 1.00 71.34 C ATOM 1200 O LEU A 440 -4.966 -1.007 5.949 1.00 23.32 O ATOM 1201 CB LEU A 440 -6.832 1.557 5.715 1.00 55.12 C ATOM 1202 CG LEU A 440 -7.368 0.905 7.017 1.00 24.03 C ATOM 1203 CD1 LEU A 440 -6.270 0.739 8.065 1.00 53.11 C ATOM 1204 CD2 LEU A 440 -8.531 1.704 7.578 1.00 73.14 C ATOM 0 H LEU A 440 -7.408 -0.901 4.731 1.00 14.41 H new ATOM 0 HA LEU A 440 -5.748 1.405 3.912 1.00 55.20 H new ATOM 0 HB2 LEU A 440 -6.158 2.362 6.008 1.00 55.12 H new ATOM 0 HB3 LEU A 440 -7.680 2.019 5.210 1.00 55.12 H new ATOM 0 HG LEU A 440 -7.724 -0.093 6.759 1.00 24.03 H new ATOM 0 HD11 LEU A 440 -6.688 0.279 8.960 1.00 53.11 H new ATOM 0 HD12 LEU A 440 -5.479 0.104 7.666 1.00 53.11 H new ATOM 0 HD13 LEU A 440 -5.858 1.716 8.318 1.00 53.11 H new ATOM 0 HD21 LEU A 440 -8.892 1.230 8.491 1.00 73.14 H new ATOM 0 HD22 LEU A 440 -8.201 2.718 7.802 1.00 73.14 H new ATOM 0 HD23 LEU A 440 -9.336 1.738 6.844 1.00 73.14 H new ATOM 1212 N ILE A 441 -3.734 0.372 4.732 1.00 13.22 N ATOM 1213 CA ILE A 441 -2.485 -0.251 5.066 1.00 43.13 C ATOM 1214 C ILE A 441 -1.569 0.745 5.776 1.00 14.11 C ATOM 1215 O ILE A 441 -1.378 1.885 5.317 1.00 35.02 O ATOM 1216 CB ILE A 441 -1.829 -0.803 3.770 1.00 73.44 C ATOM 1217 CG1 ILE A 441 -2.713 -1.909 3.164 1.00 13.44 C ATOM 1218 CG2 ILE A 441 -0.413 -1.318 4.027 1.00 73.00 C ATOM 1219 CD1 ILE A 441 -2.327 -2.347 1.769 1.00 74.43 C ATOM 0 H ILE A 441 -3.643 1.168 4.101 1.00 13.22 H new ATOM 0 HA ILE A 441 -2.657 -1.082 5.751 1.00 43.13 H new ATOM 0 HB ILE A 441 -1.747 0.017 3.057 1.00 73.44 H new ATOM 0 HG12 ILE A 441 -2.683 -2.778 3.822 1.00 13.44 H new ATOM 0 HG13 ILE A 441 -3.745 -1.558 3.145 1.00 13.44 H new ATOM 0 HG21 ILE A 441 0.011 -1.695 3.097 1.00 73.00 H new ATOM 0 HG22 ILE A 441 0.207 -0.505 4.405 1.00 73.00 H new ATOM 0 HG23 ILE A 441 -0.446 -2.121 4.763 1.00 73.00 H new ATOM 0 HD11 ILE A 441 -3.008 -3.128 1.431 1.00 74.43 H new ATOM 0 HD12 ILE A 441 -2.386 -1.496 1.091 1.00 74.43 H new ATOM 0 HD13 ILE A 441 -1.308 -2.734 1.778 1.00 74.43 H new ATOM 1226 N LYS A 442 -1.029 0.338 6.898 1.00 14.31 N ATOM 1227 CA LYS A 442 -0.169 1.188 7.659 1.00 15.45 C ATOM 1228 C LYS A 442 1.277 0.836 7.326 1.00 41.34 C ATOM 1229 O LYS A 442 1.606 -0.336 7.182 1.00 23.42 O ATOM 1230 CB LYS A 442 -0.448 0.972 9.152 1.00 34.20 C ATOM 1231 CG LYS A 442 0.264 1.941 10.096 1.00 44.03 C ATOM 1232 CD LYS A 442 -0.217 3.373 9.885 1.00 65.13 C ATOM 1233 CE LYS A 442 -1.721 3.498 10.125 1.00 73.13 C ATOM 1234 NZ LYS A 442 -2.212 4.868 9.871 1.00 52.11 N ATOM 0 H LYS A 442 -1.176 -0.587 7.301 1.00 14.31 H new ATOM 0 HA LYS A 442 -0.347 2.236 7.418 1.00 15.45 H new ATOM 0 HB2 LYS A 442 -1.522 1.051 9.319 1.00 34.20 H new ATOM 0 HB3 LYS A 442 -0.158 -0.045 9.416 1.00 34.20 H new ATOM 0 HG2 LYS A 442 0.085 1.643 11.129 1.00 44.03 H new ATOM 0 HG3 LYS A 442 1.340 1.888 9.931 1.00 44.03 H new ATOM 0 HD2 LYS A 442 0.317 4.041 10.561 1.00 65.13 H new ATOM 0 HD3 LYS A 442 0.018 3.691 8.870 1.00 65.13 H new ATOM 0 HE2 LYS A 442 -2.250 2.798 9.479 1.00 73.13 H new ATOM 0 HE3 LYS A 442 -1.948 3.217 11.153 1.00 73.13 H new ATOM 0 HZ1 LYS A 442 -3.244 4.896 9.997 1.00 52.11 H new ATOM 0 HZ2 LYS A 442 -1.764 5.527 10.540 1.00 52.11 H new ATOM 0 HZ3 LYS A 442 -1.974 5.147 8.898 1.00 52.11 H new ATOM 1248 N MET A 443 2.123 1.834 7.178 1.00 20.22 N ATOM 1249 CA MET A 443 3.525 1.613 6.881 1.00 11.02 C ATOM 1250 C MET A 443 4.368 2.601 7.616 1.00 33.32 C ATOM 1251 O MET A 443 3.856 3.575 8.171 1.00 22.42 O ATOM 1252 CB MET A 443 3.841 1.731 5.386 1.00 75.12 C ATOM 1253 CG MET A 443 3.222 0.673 4.501 1.00 42.11 C ATOM 1254 SD MET A 443 3.772 0.817 2.787 1.00 35.22 S ATOM 1255 CE MET A 443 5.544 0.619 2.977 1.00 53.44 C ATOM 0 H MET A 443 1.861 2.817 7.259 1.00 20.22 H new ATOM 0 HA MET A 443 3.749 0.595 7.199 1.00 11.02 H new ATOM 0 HB2 MET A 443 3.508 2.709 5.039 1.00 75.12 H new ATOM 0 HB3 MET A 443 4.923 1.698 5.258 1.00 75.12 H new ATOM 0 HG2 MET A 443 3.480 -0.315 4.883 1.00 42.11 H new ATOM 0 HG3 MET A 443 2.136 0.757 4.541 1.00 42.11 H new ATOM 0 HE1 MET A 443 5.963 0.195 2.064 1.00 53.44 H new ATOM 0 HE2 MET A 443 6.000 1.590 3.169 1.00 53.44 H new ATOM 0 HE3 MET A 443 5.748 -0.049 3.814 1.00 53.44 H new ATOM 1265 N LYS A 444 5.652 2.363 7.629 1.00 30.14 N ATOM 1266 CA LYS A 444 6.585 3.262 8.260 1.00 61.43 C ATOM 1267 C LYS A 444 7.775 3.449 7.348 1.00 23.13 C ATOM 1268 O LYS A 444 7.999 2.641 6.436 1.00 33.15 O ATOM 1269 CB LYS A 444 7.062 2.718 9.609 1.00 11.40 C ATOM 1270 CG LYS A 444 5.963 2.355 10.560 1.00 61.15 C ATOM 1271 CD LYS A 444 5.286 3.586 11.093 1.00 34.13 C ATOM 1272 CE LYS A 444 4.064 3.196 11.862 1.00 4.21 C ATOM 1273 NZ LYS A 444 3.347 4.334 12.496 1.00 23.23 N ATOM 0 H LYS A 444 6.082 1.542 7.203 1.00 30.14 H new ATOM 0 HA LYS A 444 6.083 4.213 8.438 1.00 61.43 H new ATOM 0 HB2 LYS A 444 7.678 1.836 9.433 1.00 11.40 H new ATOM 0 HB3 LYS A 444 7.701 3.464 10.081 1.00 11.40 H new ATOM 0 HG2 LYS A 444 5.233 1.724 10.054 1.00 61.15 H new ATOM 0 HG3 LYS A 444 6.370 1.772 11.386 1.00 61.15 H new ATOM 0 HD2 LYS A 444 5.970 4.140 11.736 1.00 34.13 H new ATOM 0 HD3 LYS A 444 5.014 4.248 10.271 1.00 34.13 H new ATOM 0 HE2 LYS A 444 3.378 2.678 11.192 1.00 4.21 H new ATOM 0 HE3 LYS A 444 4.349 2.485 12.637 1.00 4.21 H new ATOM 0 HZ1 LYS A 444 3.020 4.054 13.443 1.00 23.23 H new ATOM 0 HZ2 LYS A 444 3.990 5.147 12.579 1.00 23.23 H new ATOM 0 HZ3 LYS A 444 2.529 4.598 11.911 1.00 23.23 H new ATOM 1287 N SER A 445 8.497 4.507 7.578 1.00 73.15 N ATOM 1288 CA SER A 445 9.708 4.843 6.825 1.00 62.43 C ATOM 1289 C SER A 445 10.473 5.947 7.570 1.00 21.45 C ATOM 1290 O SER A 445 9.859 6.791 8.228 1.00 0.25 O ATOM 1291 CB SER A 445 9.346 5.332 5.392 1.00 34.23 C ATOM 1292 OG SER A 445 10.504 5.593 4.602 1.00 75.33 O ATOM 0 H SER A 445 8.270 5.185 8.306 1.00 73.15 H new ATOM 0 HA SER A 445 10.330 3.952 6.738 1.00 62.43 H new ATOM 0 HB2 SER A 445 8.733 4.579 4.897 1.00 34.23 H new ATOM 0 HB3 SER A 445 8.744 6.238 5.461 1.00 34.23 H new ATOM 0 HG SER A 445 10.231 5.896 3.711 1.00 75.33 H new ATOM 1298 N PRO A 446 11.825 5.957 7.497 1.00 21.24 N ATOM 1299 CA PRO A 446 12.645 7.000 8.140 1.00 14.44 C ATOM 1300 C PRO A 446 12.402 8.363 7.504 1.00 54.24 C ATOM 1301 O PRO A 446 12.537 9.410 8.152 1.00 43.05 O ATOM 1302 CB PRO A 446 14.086 6.540 7.881 1.00 60.40 C ATOM 1303 CG PRO A 446 13.994 5.635 6.699 1.00 61.00 C ATOM 1304 CD PRO A 446 12.662 4.955 6.807 1.00 64.12 C ATOM 0 HA PRO A 446 12.414 7.117 9.199 1.00 14.44 H new ATOM 0 HB2 PRO A 446 14.741 7.388 7.679 1.00 60.40 H new ATOM 0 HB3 PRO A 446 14.496 6.019 8.746 1.00 60.40 H new ATOM 0 HG2 PRO A 446 14.071 6.198 5.769 1.00 61.00 H new ATOM 0 HG3 PRO A 446 14.806 4.907 6.700 1.00 61.00 H new ATOM 0 HD2 PRO A 446 12.259 4.701 5.827 1.00 64.12 H new ATOM 0 HD3 PRO A 446 12.729 4.027 7.375 1.00 64.12 H new ATOM 1312 N ALA A 447 11.999 8.334 6.247 1.00 42.21 N ATOM 1313 CA ALA A 447 11.742 9.530 5.486 1.00 33.32 C ATOM 1314 C ALA A 447 10.397 10.133 5.871 1.00 1.43 C ATOM 1315 O ALA A 447 10.141 11.313 5.643 1.00 13.13 O ATOM 1316 CB ALA A 447 11.786 9.214 4.002 1.00 4.44 C ATOM 0 H ALA A 447 11.841 7.471 5.727 1.00 42.21 H new ATOM 0 HA ALA A 447 12.515 10.265 5.711 1.00 33.32 H new ATOM 0 HB1 ALA A 447 11.591 10.122 3.431 1.00 4.44 H new ATOM 0 HB2 ALA A 447 12.771 8.826 3.742 1.00 4.44 H new ATOM 0 HB3 ALA A 447 11.028 8.467 3.766 1.00 4.44 H new ATOM 1322 N ALA A 448 9.552 9.329 6.490 1.00 65.14 N ATOM 1323 CA ALA A 448 8.224 9.774 6.884 1.00 23.44 C ATOM 1324 C ALA A 448 8.237 10.208 8.320 1.00 51.35 C ATOM 1325 O ALA A 448 7.195 10.397 8.948 1.00 34.43 O ATOM 1326 CB ALA A 448 7.223 8.670 6.698 1.00 3.21 C ATOM 0 H ALA A 448 9.761 8.361 6.732 1.00 65.14 H new ATOM 0 HA ALA A 448 7.938 10.616 6.254 1.00 23.44 H new ATOM 0 HB1 ALA A 448 6.235 9.020 6.998 1.00 3.21 H new ATOM 0 HB2 ALA A 448 7.200 8.372 5.650 1.00 3.21 H new ATOM 0 HB3 ALA A 448 7.506 7.815 7.312 1.00 3.21 H new ATOM 1332 N CYS A 449 9.407 10.373 8.836 1.00 23.21 N ATOM 1333 CA CYS A 449 9.562 10.785 10.176 1.00 3.24 C ATOM 1334 C CYS A 449 9.929 12.244 10.158 1.00 50.41 C ATOM 1335 O CYS A 449 10.577 12.711 9.207 1.00 23.30 O ATOM 1336 CB CYS A 449 10.655 9.960 10.844 1.00 31.40 C ATOM 1337 SG CYS A 449 10.677 10.072 12.650 1.00 64.34 S ATOM 0 H CYS A 449 10.282 10.224 8.333 1.00 23.21 H new ATOM 0 HA CYS A 449 8.642 10.638 10.742 1.00 3.24 H new ATOM 0 HB2 CYS A 449 10.531 8.915 10.558 1.00 31.40 H new ATOM 0 HB3 CYS A 449 11.623 10.283 10.460 1.00 31.40 H new ATOM 1342 N SER A 450 9.497 12.967 11.140 1.00 10.15 N ATOM 1343 CA SER A 450 9.773 14.354 11.205 1.00 34.31 C ATOM 1344 C SER A 450 10.373 14.643 12.580 1.00 52.13 C ATOM 1345 O SER A 450 11.626 14.641 12.699 1.00 38.16 O ATOM 1346 CB SER A 450 8.473 15.143 10.955 1.00 25.45 C ATOM 1347 OG SER A 450 8.719 16.524 10.710 1.00 44.03 O ATOM 1348 OXT SER A 450 9.604 14.817 13.561 1.00 38.16 O ATOM 0 H SER A 450 8.943 12.607 11.917 1.00 10.15 H new ATOM 0 HA SER A 450 10.486 14.662 10.441 1.00 34.31 H new ATOM 0 HB2 SER A 450 7.947 14.713 10.102 1.00 25.45 H new ATOM 0 HB3 SER A 450 7.816 15.041 11.819 1.00 25.45 H new ATOM 0 HG SER A 450 7.868 16.985 10.555 1.00 44.03 H new TER 1354 SER A 450