USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=26 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 180:sc= 0 USER MOD Set 1.2: A 442 LYS NZ :NH3+ -147:sc= 1.25 (180deg=0.958) USER MOD Set 2.1: A 406 GLN : amide:sc= 0.519 K(o=1.4,f=-2) USER MOD Set 2.2: A 407 SER OG : rot -0:sc= 0.856 USER MOD Set 3.1: A 361 LYS NZ :NH3+ 172:sc= 0.0489 (180deg=-0.0675) USER MOD Set 3.2: A 379 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 374 TYR OH : rot -70:sc= -0.321 USER MOD Set 4.2: A 384 GLN : amide:sc= 0.955 K(o=0.63,f=-3.1!) USER MOD Set 5.1: A 363 MET CE :methyl -172:sc= -1.31 (180deg=-0.921) USER MOD Set 5.2: A 365 THR OG1 : rot -109:sc= -0.204 USER MOD Set 5.3: A 426 ASN : amide:sc= -0.584 X(o=-2.5,f=-2.7) USER MOD Set 5.4: A 445 SER OG : rot 180:sc= -0.389 USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot -90:sc= 1.19 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN :FLIP amide:sc= -1.31 F(o=-2.9!,f=-1.3) USER MOD Single : A 386 SER OG : rot 73:sc= 1.21 USER MOD Single : A 391 ASN :FLIP amide:sc= 0 F(o=-2.5!,f=0) USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= -1.63 X(o=-1.6,f=-2.1) USER MOD Single : A 398 ASN : amide:sc= 0.42 X(o=0.42,f=-0.026) USER MOD Single : A 401 LYS NZ :NH3+ -173:sc=-0.00125 (180deg=-0.0817) USER MOD Single : A 402 TYR OH : rot -60:sc= -0.667 USER MOD Single : A 404 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 410 ASN : amide:sc= -0.753 K(o=-0.75,f=-2.5) USER MOD Single : A 413 HIS : no HE2:sc= -0.0394 K(o=-0.039,f=-1.1) USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 435 GLN : amide:sc= 1.2 K(o=1.2,f=-0.16) USER MOD Single : A 436 LYS NZ :NH3+ 157:sc= 0.258 (180deg=0.092) USER MOD Single : A 439 TYR OH : rot -104:sc= 0.124 USER MOD Single : A 443 MET CE :methyl 159:sc= -0.57 (180deg=-2.16) USER MOD Single : A 444 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0419) USER MOD Single : A 450 SER OG : rot 144:sc= 0.645 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 8.980 13.846 6.303 1.00 14.32 N ATOM 2 CA TYR A 357 9.715 14.558 5.253 1.00 15.14 C ATOM 3 C TYR A 357 9.410 13.963 3.891 1.00 4.43 C ATOM 4 O TYR A 357 9.002 14.671 2.972 1.00 50.43 O ATOM 5 CB TYR A 357 11.227 14.519 5.508 1.00 5.24 C ATOM 6 CG TYR A 357 11.641 15.154 6.807 1.00 74.40 C ATOM 7 CD1 TYR A 357 11.626 16.532 6.963 1.00 33.22 C ATOM 8 CD2 TYR A 357 12.031 14.378 7.885 1.00 50.43 C ATOM 9 CE1 TYR A 357 11.991 17.116 8.154 1.00 51.32 C ATOM 10 CE2 TYR A 357 12.393 14.956 9.081 1.00 34.45 C ATOM 11 CZ TYR A 357 12.371 16.323 9.210 1.00 2.55 C ATOM 12 OH TYR A 357 12.725 16.903 10.406 1.00 40.33 O ATOM 0 HA TYR A 357 9.389 15.598 5.271 1.00 15.14 H new ATOM 0 HB2 TYR A 357 11.561 13.481 5.499 1.00 5.24 H new ATOM 0 HB3 TYR A 357 11.737 15.025 4.688 1.00 5.24 H new ATOM 0 HD1 TYR A 357 11.323 17.157 6.136 1.00 33.22 H new ATOM 0 HD2 TYR A 357 12.052 13.303 7.786 1.00 50.43 H new ATOM 0 HE1 TYR A 357 11.979 18.191 8.258 1.00 51.32 H new ATOM 0 HE2 TYR A 357 12.693 14.337 9.914 1.00 34.45 H new ATOM 0 HH TYR A 357 12.966 16.204 11.050 1.00 40.33 H new ATOM 24 N ARG A 358 9.606 12.659 3.752 1.00 22.50 N ATOM 25 CA ARG A 358 9.354 11.992 2.494 1.00 1.22 C ATOM 26 C ARG A 358 9.212 10.501 2.722 1.00 12.13 C ATOM 27 O ARG A 358 9.251 10.036 3.853 1.00 33.44 O ATOM 28 CB ARG A 358 10.507 12.246 1.487 1.00 72.24 C ATOM 29 CG ARG A 358 11.859 11.672 1.904 1.00 75.12 C ATOM 30 CD ARG A 358 12.907 11.897 0.828 1.00 11.33 C ATOM 31 NE ARG A 358 14.197 11.275 1.166 1.00 20.53 N ATOM 32 CZ ARG A 358 15.222 11.129 0.312 1.00 14.42 C ATOM 33 NH1 ARG A 358 15.137 11.605 -0.928 1.00 25.02 N ATOM 34 NH2 ARG A 358 16.328 10.512 0.707 1.00 33.13 N ATOM 0 H ARG A 358 9.939 12.047 4.498 1.00 22.50 H new ATOM 0 HA ARG A 358 8.431 12.395 2.077 1.00 1.22 H new ATOM 0 HB2 ARG A 358 10.229 11.820 0.523 1.00 72.24 H new ATOM 0 HB3 ARG A 358 10.614 13.321 1.342 1.00 72.24 H new ATOM 0 HG2 ARG A 358 12.183 12.138 2.834 1.00 75.12 H new ATOM 0 HG3 ARG A 358 11.759 10.604 2.100 1.00 75.12 H new ATOM 0 HD2 ARG A 358 12.547 11.491 -0.117 1.00 11.33 H new ATOM 0 HD3 ARG A 358 13.050 12.968 0.681 1.00 11.33 H new ATOM 0 HE ARG A 358 14.321 10.930 2.118 1.00 20.53 H new ATOM 0 HH11 ARG A 358 14.290 12.084 -1.234 1.00 25.02 H new ATOM 0 HH12 ARG A 358 15.919 11.491 -1.573 1.00 25.02 H new ATOM 0 HH21 ARG A 358 16.398 10.150 1.658 1.00 33.13 H new ATOM 0 HH22 ARG A 358 17.108 10.400 0.060 1.00 33.13 H new ATOM 46 N ALA A 359 9.051 9.782 1.659 1.00 53.14 N ATOM 47 CA ALA A 359 8.983 8.349 1.675 1.00 60.21 C ATOM 48 C ALA A 359 10.025 7.827 0.706 1.00 35.01 C ATOM 49 O ALA A 359 10.392 8.533 -0.242 1.00 22.42 O ATOM 50 CB ALA A 359 7.589 7.861 1.300 1.00 21.13 C ATOM 0 H ALA A 359 8.960 10.183 0.726 1.00 53.14 H new ATOM 0 HA ALA A 359 9.184 7.975 2.679 1.00 60.21 H new ATOM 0 HB1 ALA A 359 7.567 6.771 1.320 1.00 21.13 H new ATOM 0 HB2 ALA A 359 6.863 8.252 2.013 1.00 21.13 H new ATOM 0 HB3 ALA A 359 7.339 8.210 0.298 1.00 21.13 H new ATOM 56 N ILE A 360 10.528 6.644 0.940 1.00 52.10 N ATOM 57 CA ILE A 360 11.547 6.088 0.069 1.00 0.24 C ATOM 58 C ILE A 360 10.845 5.505 -1.153 1.00 33.12 C ATOM 59 O ILE A 360 9.777 4.915 -1.033 1.00 64.45 O ATOM 60 CB ILE A 360 12.382 4.987 0.798 1.00 11.34 C ATOM 61 CG1 ILE A 360 13.005 5.545 2.098 1.00 73.25 C ATOM 62 CG2 ILE A 360 13.473 4.425 -0.118 1.00 72.14 C ATOM 63 CD1 ILE A 360 13.935 6.731 1.900 1.00 54.12 C ATOM 0 H ILE A 360 10.256 6.045 1.719 1.00 52.10 H new ATOM 0 HA ILE A 360 12.246 6.871 -0.226 1.00 0.24 H new ATOM 0 HB ILE A 360 11.705 4.173 1.059 1.00 11.34 H new ATOM 0 HG12 ILE A 360 12.201 5.840 2.772 1.00 73.25 H new ATOM 0 HG13 ILE A 360 13.558 4.746 2.592 1.00 73.25 H new ATOM 0 HG21 ILE A 360 14.038 3.661 0.416 1.00 72.14 H new ATOM 0 HG22 ILE A 360 13.014 3.985 -1.003 1.00 72.14 H new ATOM 0 HG23 ILE A 360 14.145 5.229 -0.419 1.00 72.14 H new ATOM 0 HD11 ILE A 360 14.324 7.054 2.866 1.00 54.12 H new ATOM 0 HD12 ILE A 360 14.763 6.440 1.254 1.00 54.12 H new ATOM 0 HD13 ILE A 360 13.386 7.551 1.438 1.00 54.12 H new ATOM 70 N LYS A 361 11.419 5.714 -2.318 1.00 45.13 N ATOM 71 CA LYS A 361 10.766 5.357 -3.563 1.00 73.24 C ATOM 72 C LYS A 361 11.560 4.295 -4.338 1.00 34.32 C ATOM 73 O LYS A 361 12.768 4.126 -4.127 1.00 2.42 O ATOM 74 CB LYS A 361 10.644 6.625 -4.431 1.00 21.01 C ATOM 75 CG LYS A 361 9.976 7.817 -3.733 1.00 41.42 C ATOM 76 CD LYS A 361 8.525 7.550 -3.373 1.00 32.23 C ATOM 77 CE LYS A 361 7.912 8.721 -2.592 1.00 44.43 C ATOM 78 NZ LYS A 361 7.983 10.009 -3.324 1.00 52.32 N ATOM 0 H LYS A 361 12.343 6.132 -2.431 1.00 45.13 H new ATOM 0 HA LYS A 361 9.786 4.940 -3.332 1.00 73.24 H new ATOM 0 HB2 LYS A 361 11.641 6.924 -4.756 1.00 21.01 H new ATOM 0 HB3 LYS A 361 10.075 6.381 -5.328 1.00 21.01 H new ATOM 0 HG2 LYS A 361 10.532 8.060 -2.827 1.00 41.42 H new ATOM 0 HG3 LYS A 361 10.030 8.690 -4.384 1.00 41.42 H new ATOM 0 HD2 LYS A 361 7.950 7.378 -4.283 1.00 32.23 H new ATOM 0 HD3 LYS A 361 8.459 6.640 -2.777 1.00 32.23 H new ATOM 0 HE2 LYS A 361 6.870 8.494 -2.368 1.00 44.43 H new ATOM 0 HE3 LYS A 361 8.428 8.823 -1.638 1.00 44.43 H new ATOM 0 HZ1 LYS A 361 7.437 10.730 -2.811 1.00 52.32 H new ATOM 0 HZ2 LYS A 361 8.975 10.313 -3.397 1.00 52.32 H new ATOM 0 HZ3 LYS A 361 7.587 9.888 -4.278 1.00 52.32 H new ATOM 92 N GLY A 362 10.858 3.574 -5.212 1.00 12.11 N ATOM 93 CA GLY A 362 11.470 2.627 -6.140 1.00 63.15 C ATOM 94 C GLY A 362 11.693 1.216 -5.619 1.00 4.23 C ATOM 95 O GLY A 362 11.806 0.288 -6.412 1.00 23.10 O ATOM 0 H GLY A 362 9.843 3.632 -5.295 1.00 12.11 H new ATOM 0 HA2 GLY A 362 10.843 2.567 -7.030 1.00 63.15 H new ATOM 0 HA3 GLY A 362 12.432 3.031 -6.455 1.00 63.15 H new ATOM 99 N MET A 363 11.750 1.028 -4.328 1.00 24.43 N ATOM 100 CA MET A 363 12.062 -0.299 -3.812 1.00 61.41 C ATOM 101 C MET A 363 10.803 -1.139 -3.644 1.00 65.31 C ATOM 102 O MET A 363 9.690 -0.605 -3.503 1.00 23.41 O ATOM 103 CB MET A 363 12.839 -0.239 -2.481 1.00 71.32 C ATOM 104 CG MET A 363 12.038 0.215 -1.269 1.00 44.55 C ATOM 105 SD MET A 363 11.348 1.866 -1.410 1.00 74.05 S ATOM 106 CE MET A 363 10.525 1.973 0.174 1.00 24.13 C ATOM 0 H MET A 363 11.591 1.747 -3.623 1.00 24.43 H new ATOM 0 HA MET A 363 12.705 -0.775 -4.553 1.00 61.41 H new ATOM 0 HB2 MET A 363 13.246 -1.229 -2.274 1.00 71.32 H new ATOM 0 HB3 MET A 363 13.687 0.435 -2.606 1.00 71.32 H new ATOM 0 HG2 MET A 363 11.225 -0.492 -1.101 1.00 44.55 H new ATOM 0 HG3 MET A 363 12.681 0.177 -0.389 1.00 44.55 H new ATOM 0 HE1 MET A 363 9.919 2.879 0.209 1.00 24.13 H new ATOM 0 HE2 MET A 363 9.884 1.102 0.310 1.00 24.13 H new ATOM 0 HE3 MET A 363 11.270 2.004 0.970 1.00 24.13 H new ATOM 116 N GLU A 364 10.978 -2.445 -3.669 1.00 45.14 N ATOM 117 CA GLU A 364 9.890 -3.359 -3.474 1.00 40.03 C ATOM 118 C GLU A 364 9.745 -3.639 -1.997 1.00 13.24 C ATOM 119 O GLU A 364 10.630 -4.231 -1.378 1.00 12.32 O ATOM 120 CB GLU A 364 10.130 -4.679 -4.220 1.00 44.11 C ATOM 121 CG GLU A 364 10.294 -4.542 -5.722 1.00 2.42 C ATOM 122 CD GLU A 364 10.494 -5.874 -6.400 1.00 4.31 C ATOM 123 OE1 GLU A 364 11.638 -6.365 -6.439 1.00 61.13 O ATOM 124 OE2 GLU A 364 9.512 -6.451 -6.918 1.00 13.14 O ATOM 0 H GLU A 364 11.880 -2.894 -3.825 1.00 45.14 H new ATOM 0 HA GLU A 364 8.981 -2.906 -3.869 1.00 40.03 H new ATOM 0 HB2 GLU A 364 11.024 -5.152 -3.813 1.00 44.11 H new ATOM 0 HB3 GLU A 364 9.295 -5.350 -4.020 1.00 44.11 H new ATOM 0 HG2 GLU A 364 9.413 -4.054 -6.138 1.00 2.42 H new ATOM 0 HG3 GLU A 364 11.146 -3.897 -5.935 1.00 2.42 H new ATOM 131 N THR A 365 8.662 -3.212 -1.438 1.00 4.13 N ATOM 132 CA THR A 365 8.406 -3.421 -0.054 1.00 64.01 C ATOM 133 C THR A 365 7.383 -4.520 0.020 1.00 12.10 C ATOM 134 O THR A 365 6.299 -4.394 -0.551 1.00 20.22 O ATOM 135 CB THR A 365 7.844 -2.136 0.575 1.00 31.30 C ATOM 136 OG1 THR A 365 8.710 -1.027 0.252 1.00 70.12 O ATOM 137 CG2 THR A 365 7.746 -2.269 2.087 1.00 65.20 C ATOM 0 H THR A 365 7.927 -2.706 -1.932 1.00 4.13 H new ATOM 0 HA THR A 365 9.315 -3.685 0.486 1.00 64.01 H new ATOM 0 HB THR A 365 6.845 -1.964 0.175 1.00 31.30 H new ATOM 0 HG1 THR A 365 9.189 -0.741 1.058 1.00 70.12 H new ATOM 0 HG21 THR A 365 7.346 -1.347 2.508 1.00 65.20 H new ATOM 0 HG22 THR A 365 7.085 -3.099 2.337 1.00 65.20 H new ATOM 0 HG23 THR A 365 8.737 -2.457 2.501 1.00 65.20 H new ATOM 143 N LYS A 366 7.722 -5.595 0.669 1.00 42.20 N ATOM 144 CA LYS A 366 6.871 -6.755 0.696 1.00 50.24 C ATOM 145 C LYS A 366 6.879 -7.376 2.051 1.00 71.34 C ATOM 146 O LYS A 366 7.929 -7.437 2.697 1.00 34.20 O ATOM 147 CB LYS A 366 7.347 -7.776 -0.314 1.00 61.34 C ATOM 148 CG LYS A 366 7.338 -7.292 -1.740 1.00 70.51 C ATOM 149 CD LYS A 366 7.897 -8.318 -2.711 1.00 12.34 C ATOM 150 CE LYS A 366 7.028 -9.560 -2.802 1.00 2.21 C ATOM 151 NZ LYS A 366 7.584 -10.565 -3.728 1.00 51.10 N ATOM 0 H LYS A 366 8.591 -5.696 1.193 1.00 42.20 H new ATOM 0 HA LYS A 366 5.858 -6.438 0.448 1.00 50.24 H new ATOM 0 HB2 LYS A 366 8.360 -8.082 -0.053 1.00 61.34 H new ATOM 0 HB3 LYS A 366 6.718 -8.663 -0.240 1.00 61.34 H new ATOM 0 HG2 LYS A 366 6.317 -7.043 -2.029 1.00 70.51 H new ATOM 0 HG3 LYS A 366 7.922 -6.374 -1.812 1.00 70.51 H new ATOM 0 HD2 LYS A 366 7.988 -7.868 -3.699 1.00 12.34 H new ATOM 0 HD3 LYS A 366 8.901 -8.602 -2.397 1.00 12.34 H new ATOM 0 HE2 LYS A 366 6.923 -10.001 -1.811 1.00 2.21 H new ATOM 0 HE3 LYS A 366 6.028 -9.278 -3.133 1.00 2.21 H new ATOM 0 HZ1 LYS A 366 6.957 -11.394 -3.757 1.00 51.10 H new ATOM 0 HZ2 LYS A 366 7.660 -10.155 -4.681 1.00 51.10 H new ATOM 0 HZ3 LYS A 366 8.527 -10.855 -3.400 1.00 51.10 H new ATOM 165 N ARG A 367 5.736 -7.841 2.487 1.00 54.52 N ATOM 166 CA ARG A 367 5.635 -8.453 3.782 1.00 32.23 C ATOM 167 C ARG A 367 4.373 -9.320 3.814 1.00 64.41 C ATOM 168 O ARG A 367 3.318 -8.898 3.337 1.00 74.04 O ATOM 169 CB ARG A 367 5.643 -7.321 4.846 1.00 0.04 C ATOM 170 CG ARG A 367 5.795 -7.704 6.318 1.00 3.11 C ATOM 171 CD ARG A 367 4.538 -8.168 6.999 1.00 74.25 C ATOM 172 NE ARG A 367 4.758 -8.297 8.459 1.00 43.34 N ATOM 173 CZ ARG A 367 3.898 -8.822 9.348 1.00 13.21 C ATOM 174 NH1 ARG A 367 2.840 -9.505 8.941 1.00 4.21 N ATOM 175 NH2 ARG A 367 4.150 -8.713 10.646 1.00 14.22 N ATOM 0 H ARG A 367 4.863 -7.806 1.961 1.00 54.52 H new ATOM 0 HA ARG A 367 6.474 -9.113 4.002 1.00 32.23 H new ATOM 0 HB2 ARG A 367 6.454 -6.637 4.596 1.00 0.04 H new ATOM 0 HB3 ARG A 367 4.712 -6.763 4.743 1.00 0.04 H new ATOM 0 HG2 ARG A 367 6.542 -8.494 6.395 1.00 3.11 H new ATOM 0 HG3 ARG A 367 6.185 -6.843 6.861 1.00 3.11 H new ATOM 0 HD2 ARG A 367 3.731 -7.461 6.808 1.00 74.25 H new ATOM 0 HD3 ARG A 367 4.226 -9.127 6.586 1.00 74.25 H new ATOM 0 HE ARG A 367 5.647 -7.955 8.824 1.00 43.34 H new ATOM 0 HH11 ARG A 367 2.671 -9.637 7.944 1.00 4.21 H new ATOM 0 HH12 ARG A 367 2.194 -9.899 9.625 1.00 4.21 H new ATOM 0 HH21 ARG A 367 4.992 -8.233 10.963 1.00 14.22 H new ATOM 0 HH22 ARG A 367 3.502 -9.109 11.326 1.00 14.22 H new ATOM 187 N GLU A 368 4.489 -10.526 4.341 1.00 52.11 N ATOM 188 CA GLU A 368 3.355 -11.459 4.390 1.00 72.43 C ATOM 189 C GLU A 368 2.442 -11.097 5.527 1.00 53.44 C ATOM 190 O GLU A 368 2.882 -10.976 6.664 1.00 12.53 O ATOM 191 CB GLU A 368 3.788 -12.936 4.530 1.00 33.42 C ATOM 192 CG GLU A 368 4.492 -13.575 3.325 1.00 42.13 C ATOM 193 CD GLU A 368 5.790 -12.918 2.935 1.00 24.14 C ATOM 194 OE1 GLU A 368 6.773 -13.010 3.697 1.00 52.15 O ATOM 195 OE2 GLU A 368 5.857 -12.329 1.845 1.00 63.04 O ATOM 0 H GLU A 368 5.352 -10.891 4.743 1.00 52.11 H new ATOM 0 HA GLU A 368 2.835 -11.366 3.437 1.00 72.43 H new ATOM 0 HB2 GLU A 368 4.453 -13.014 5.390 1.00 33.42 H new ATOM 0 HB3 GLU A 368 2.902 -13.528 4.757 1.00 33.42 H new ATOM 0 HG2 GLU A 368 4.684 -14.625 3.548 1.00 42.13 H new ATOM 0 HG3 GLU A 368 3.816 -13.549 2.470 1.00 42.13 H new ATOM 202 N ILE A 369 1.187 -10.899 5.229 1.00 75.23 N ATOM 203 CA ILE A 369 0.225 -10.516 6.221 1.00 24.42 C ATOM 204 C ILE A 369 -0.984 -11.386 6.016 1.00 74.50 C ATOM 205 O ILE A 369 -1.546 -11.398 4.943 1.00 12.44 O ATOM 206 CB ILE A 369 -0.166 -9.027 6.036 1.00 34.11 C ATOM 207 CG1 ILE A 369 1.098 -8.176 5.975 1.00 12.31 C ATOM 208 CG2 ILE A 369 -1.040 -8.561 7.197 1.00 4.54 C ATOM 209 CD1 ILE A 369 0.871 -6.747 5.616 1.00 44.34 C ATOM 0 H ILE A 369 0.804 -10.999 4.289 1.00 75.23 H new ATOM 0 HA ILE A 369 0.633 -10.637 7.224 1.00 24.42 H new ATOM 0 HB ILE A 369 -0.728 -8.920 5.108 1.00 34.11 H new ATOM 0 HG12 ILE A 369 1.595 -8.218 6.944 1.00 12.31 H new ATOM 0 HG13 ILE A 369 1.780 -8.615 5.247 1.00 12.31 H new ATOM 0 HG21 ILE A 369 -1.307 -7.514 7.054 1.00 4.54 H new ATOM 0 HG22 ILE A 369 -1.947 -9.165 7.235 1.00 4.54 H new ATOM 0 HG23 ILE A 369 -0.491 -8.671 8.132 1.00 4.54 H new ATOM 0 HD11 ILE A 369 1.825 -6.221 5.597 1.00 44.34 H new ATOM 0 HD12 ILE A 369 0.405 -6.689 4.632 1.00 44.34 H new ATOM 0 HD13 ILE A 369 0.217 -6.286 6.356 1.00 44.34 H new ATOM 216 N GLY A 370 -1.340 -12.164 7.006 1.00 71.54 N ATOM 217 CA GLY A 370 -2.466 -13.070 6.864 1.00 60.21 C ATOM 218 C GLY A 370 -2.188 -14.171 5.845 1.00 45.20 C ATOM 219 O GLY A 370 -3.105 -14.859 5.387 1.00 72.14 O ATOM 0 H GLY A 370 -0.876 -12.194 7.914 1.00 71.54 H new ATOM 0 HA2 GLY A 370 -2.694 -13.520 7.830 1.00 60.21 H new ATOM 0 HA3 GLY A 370 -3.348 -12.507 6.558 1.00 60.21 H new ATOM 223 N GLY A 371 -0.927 -14.322 5.478 1.00 63.30 N ATOM 224 CA GLY A 371 -0.535 -15.345 4.550 1.00 32.41 C ATOM 225 C GLY A 371 -0.307 -14.822 3.167 1.00 31.13 C ATOM 226 O GLY A 371 0.295 -15.488 2.335 1.00 40.14 O ATOM 0 H GLY A 371 -0.160 -13.741 5.816 1.00 63.30 H new ATOM 0 HA2 GLY A 371 0.378 -15.822 4.907 1.00 32.41 H new ATOM 0 HA3 GLY A 371 -1.306 -16.115 4.519 1.00 32.41 H new ATOM 230 N TYR A 372 -0.782 -13.650 2.908 1.00 11.52 N ATOM 231 CA TYR A 372 -0.615 -13.066 1.618 1.00 23.23 C ATOM 232 C TYR A 372 0.439 -11.980 1.660 1.00 74.20 C ATOM 233 O TYR A 372 0.501 -11.198 2.603 1.00 61.33 O ATOM 234 CB TYR A 372 -1.959 -12.582 1.042 1.00 51.15 C ATOM 235 CG TYR A 372 -2.766 -11.709 1.967 1.00 31.43 C ATOM 236 CD1 TYR A 372 -2.394 -10.419 2.213 1.00 3.04 C ATOM 237 CD2 TYR A 372 -3.904 -12.193 2.598 1.00 71.03 C ATOM 238 CE1 TYR A 372 -3.110 -9.628 3.050 1.00 3.03 C ATOM 239 CE2 TYR A 372 -4.639 -11.399 3.443 1.00 24.21 C ATOM 240 CZ TYR A 372 -4.235 -10.113 3.667 1.00 53.14 C ATOM 241 OH TYR A 372 -4.958 -9.303 4.511 1.00 33.03 O ATOM 0 H TYR A 372 -1.293 -13.074 3.577 1.00 11.52 H new ATOM 0 HA TYR A 372 -0.254 -13.831 0.931 1.00 23.23 H new ATOM 0 HB2 TYR A 372 -1.766 -12.031 0.122 1.00 51.15 H new ATOM 0 HB3 TYR A 372 -2.557 -13.452 0.773 1.00 51.15 H new ATOM 0 HD1 TYR A 372 -1.513 -10.021 1.732 1.00 3.04 H new ATOM 0 HD2 TYR A 372 -4.216 -13.212 2.421 1.00 71.03 H new ATOM 0 HE1 TYR A 372 -2.793 -8.612 3.232 1.00 3.03 H new ATOM 0 HE2 TYR A 372 -5.525 -11.786 3.924 1.00 24.21 H new ATOM 0 HH TYR A 372 -5.725 -9.800 4.864 1.00 33.03 H new ATOM 251 N THR A 373 1.281 -11.965 0.681 1.00 62.41 N ATOM 252 CA THR A 373 2.340 -11.005 0.609 1.00 52.15 C ATOM 253 C THR A 373 1.830 -9.660 0.133 1.00 13.15 C ATOM 254 O THR A 373 1.217 -9.560 -0.923 1.00 2.21 O ATOM 255 CB THR A 373 3.412 -11.484 -0.361 1.00 61.50 C ATOM 256 OG1 THR A 373 3.850 -12.786 0.030 1.00 54.55 O ATOM 257 CG2 THR A 373 4.595 -10.528 -0.370 1.00 74.01 C ATOM 0 H THR A 373 1.256 -12.622 -0.099 1.00 62.41 H new ATOM 0 HA THR A 373 2.755 -10.896 1.611 1.00 52.15 H new ATOM 0 HB THR A 373 2.990 -11.519 -1.365 1.00 61.50 H new ATOM 0 HG1 THR A 373 4.607 -12.705 0.647 1.00 54.55 H new ATOM 0 HG21 THR A 373 5.349 -10.889 -1.069 1.00 74.01 H new ATOM 0 HG22 THR A 373 4.260 -9.537 -0.677 1.00 74.01 H new ATOM 0 HG23 THR A 373 5.025 -10.472 0.630 1.00 74.01 H new ATOM 263 N TYR A 374 2.059 -8.650 0.906 1.00 11.13 N ATOM 264 CA TYR A 374 1.743 -7.338 0.483 1.00 53.33 C ATOM 265 C TYR A 374 2.929 -6.707 -0.147 1.00 44.11 C ATOM 266 O TYR A 374 3.989 -6.651 0.447 1.00 13.30 O ATOM 267 CB TYR A 374 1.166 -6.492 1.584 1.00 23.50 C ATOM 268 CG TYR A 374 -0.277 -6.279 1.362 1.00 64.14 C ATOM 269 CD1 TYR A 374 -0.694 -5.428 0.354 1.00 61.04 C ATOM 270 CD2 TYR A 374 -1.231 -6.916 2.117 1.00 34.11 C ATOM 271 CE1 TYR A 374 -2.002 -5.214 0.105 1.00 33.12 C ATOM 272 CE2 TYR A 374 -2.572 -6.693 1.862 1.00 63.43 C ATOM 273 CZ TYR A 374 -2.947 -5.851 0.869 1.00 22.40 C ATOM 274 OH TYR A 374 -4.284 -5.660 0.627 1.00 12.43 O ATOM 0 H TYR A 374 2.467 -8.716 1.839 1.00 11.13 H new ATOM 0 HA TYR A 374 0.954 -7.412 -0.266 1.00 53.33 H new ATOM 0 HB2 TYR A 374 1.325 -6.978 2.547 1.00 23.50 H new ATOM 0 HB3 TYR A 374 1.681 -5.532 1.622 1.00 23.50 H new ATOM 0 HD1 TYR A 374 0.046 -4.923 -0.248 1.00 61.04 H new ATOM 0 HD2 TYR A 374 -0.935 -7.589 2.908 1.00 34.11 H new ATOM 0 HE1 TYR A 374 -2.303 -4.547 -0.689 1.00 33.12 H new ATOM 0 HE2 TYR A 374 -3.323 -7.192 2.457 1.00 63.43 H new ATOM 0 HH TYR A 374 -4.536 -4.749 0.886 1.00 12.43 H new ATOM 284 N LYS A 375 2.754 -6.259 -1.349 1.00 3.15 N ATOM 285 CA LYS A 375 3.836 -5.703 -2.126 1.00 41.35 C ATOM 286 C LYS A 375 3.500 -4.315 -2.560 1.00 55.34 C ATOM 287 O LYS A 375 2.482 -4.101 -3.179 1.00 42.13 O ATOM 288 CB LYS A 375 4.067 -6.581 -3.360 1.00 52.23 C ATOM 289 CG LYS A 375 5.102 -6.073 -4.335 1.00 63.40 C ATOM 290 CD LYS A 375 5.204 -7.021 -5.503 1.00 71.32 C ATOM 291 CE LYS A 375 6.086 -6.472 -6.581 1.00 44.12 C ATOM 292 NZ LYS A 375 6.230 -7.422 -7.714 1.00 53.43 N ATOM 0 H LYS A 375 1.854 -6.265 -1.830 1.00 3.15 H new ATOM 0 HA LYS A 375 4.738 -5.672 -1.515 1.00 41.35 H new ATOM 0 HB2 LYS A 375 4.365 -7.575 -3.026 1.00 52.23 H new ATOM 0 HB3 LYS A 375 3.120 -6.692 -3.888 1.00 52.23 H new ATOM 0 HG2 LYS A 375 4.829 -5.077 -4.684 1.00 63.40 H new ATOM 0 HG3 LYS A 375 6.069 -5.984 -3.841 1.00 63.40 H new ATOM 0 HD2 LYS A 375 5.598 -7.979 -5.162 1.00 71.32 H new ATOM 0 HD3 LYS A 375 4.209 -7.211 -5.907 1.00 71.32 H new ATOM 0 HE2 LYS A 375 5.672 -5.532 -6.945 1.00 44.12 H new ATOM 0 HE3 LYS A 375 7.069 -6.248 -6.167 1.00 44.12 H new ATOM 0 HZ1 LYS A 375 6.848 -7.006 -8.440 1.00 53.43 H new ATOM 0 HZ2 LYS A 375 6.648 -8.310 -7.371 1.00 53.43 H new ATOM 0 HZ3 LYS A 375 5.295 -7.616 -8.125 1.00 53.43 H new ATOM 306 N VAL A 376 4.346 -3.389 -2.250 1.00 22.52 N ATOM 307 CA VAL A 376 4.151 -2.030 -2.671 1.00 2.21 C ATOM 308 C VAL A 376 5.405 -1.499 -3.364 1.00 64.33 C ATOM 309 O VAL A 376 6.500 -1.459 -2.772 1.00 30.12 O ATOM 310 CB VAL A 376 3.695 -1.098 -1.485 1.00 10.14 C ATOM 311 CG1 VAL A 376 4.677 -1.119 -0.345 1.00 63.12 C ATOM 312 CG2 VAL A 376 3.476 0.329 -1.949 1.00 70.31 C ATOM 0 H VAL A 376 5.191 -3.546 -1.700 1.00 22.52 H new ATOM 0 HA VAL A 376 3.336 -2.021 -3.395 1.00 2.21 H new ATOM 0 HB VAL A 376 2.746 -1.497 -1.127 1.00 10.14 H new ATOM 0 HG11 VAL A 376 4.324 -0.463 0.451 1.00 63.12 H new ATOM 0 HG12 VAL A 376 4.770 -2.136 0.037 1.00 63.12 H new ATOM 0 HG13 VAL A 376 5.649 -0.773 -0.696 1.00 63.12 H new ATOM 0 HG21 VAL A 376 3.162 0.942 -1.104 1.00 70.31 H new ATOM 0 HG22 VAL A 376 4.405 0.725 -2.360 1.00 70.31 H new ATOM 0 HG23 VAL A 376 2.703 0.347 -2.717 1.00 70.31 H new ATOM 318 N VAL A 377 5.269 -1.172 -4.638 1.00 15.33 N ATOM 319 CA VAL A 377 6.351 -0.562 -5.368 1.00 43.14 C ATOM 320 C VAL A 377 5.947 0.842 -5.709 1.00 2.31 C ATOM 321 O VAL A 377 4.977 1.063 -6.453 1.00 0.22 O ATOM 322 CB VAL A 377 6.729 -1.329 -6.652 1.00 64.34 C ATOM 323 CG1 VAL A 377 7.946 -0.672 -7.315 1.00 4.32 C ATOM 324 CG2 VAL A 377 7.013 -2.791 -6.332 1.00 72.43 C ATOM 0 H VAL A 377 4.419 -1.321 -5.182 1.00 15.33 H new ATOM 0 HA VAL A 377 7.238 -0.579 -4.735 1.00 43.14 H new ATOM 0 HB VAL A 377 5.891 -1.290 -7.348 1.00 64.34 H new ATOM 0 HG11 VAL A 377 8.207 -1.219 -8.221 1.00 4.32 H new ATOM 0 HG12 VAL A 377 7.708 0.360 -7.571 1.00 4.32 H new ATOM 0 HG13 VAL A 377 8.790 -0.689 -6.625 1.00 4.32 H new ATOM 0 HG21 VAL A 377 7.278 -3.319 -7.248 1.00 72.43 H new ATOM 0 HG22 VAL A 377 7.839 -2.855 -5.624 1.00 72.43 H new ATOM 0 HG23 VAL A 377 6.125 -3.247 -5.895 1.00 72.43 H new ATOM 330 N PHE A 378 6.689 1.777 -5.176 1.00 22.34 N ATOM 331 CA PHE A 378 6.387 3.184 -5.276 1.00 5.23 C ATOM 332 C PHE A 378 6.283 3.698 -6.706 1.00 43.23 C ATOM 333 O PHE A 378 7.150 3.452 -7.549 1.00 1.05 O ATOM 334 CB PHE A 378 7.328 4.016 -4.399 1.00 31.11 C ATOM 335 CG PHE A 378 7.116 3.774 -2.922 1.00 22.44 C ATOM 336 CD1 PHE A 378 7.550 2.602 -2.316 1.00 75.10 C ATOM 337 CD2 PHE A 378 6.473 4.720 -2.145 1.00 30.30 C ATOM 338 CE1 PHE A 378 7.339 2.385 -0.968 1.00 12.51 C ATOM 339 CE2 PHE A 378 6.264 4.508 -0.795 1.00 51.21 C ATOM 340 CZ PHE A 378 6.697 3.337 -0.208 1.00 72.22 C ATOM 0 H PHE A 378 7.539 1.579 -4.648 1.00 22.34 H new ATOM 0 HA PHE A 378 5.379 3.310 -4.880 1.00 5.23 H new ATOM 0 HB2 PHE A 378 8.361 3.781 -4.657 1.00 31.11 H new ATOM 0 HB3 PHE A 378 7.178 5.074 -4.615 1.00 31.11 H new ATOM 0 HD1 PHE A 378 8.058 1.852 -2.905 1.00 75.10 H new ATOM 0 HD2 PHE A 378 6.129 5.638 -2.599 1.00 30.30 H new ATOM 0 HE1 PHE A 378 7.678 1.468 -0.510 1.00 12.51 H new ATOM 0 HE2 PHE A 378 5.763 5.258 -0.201 1.00 51.21 H new ATOM 0 HZ PHE A 378 6.533 3.167 0.846 1.00 72.22 H new ATOM 350 N TYR A 379 5.164 4.386 -6.958 1.00 60.13 N ATOM 351 CA TYR A 379 4.801 4.955 -8.253 1.00 41.20 C ATOM 352 C TYR A 379 4.478 3.908 -9.300 1.00 64.22 C ATOM 353 O TYR A 379 4.285 4.222 -10.465 1.00 74.12 O ATOM 354 CB TYR A 379 5.784 6.039 -8.724 1.00 71.05 C ATOM 355 CG TYR A 379 5.673 7.311 -7.895 1.00 51.11 C ATOM 356 CD1 TYR A 379 6.092 7.343 -6.571 1.00 73.30 C ATOM 357 CD2 TYR A 379 5.110 8.467 -8.428 1.00 42.03 C ATOM 358 CE1 TYR A 379 5.966 8.482 -5.810 1.00 51.42 C ATOM 359 CE2 TYR A 379 4.985 9.615 -7.665 1.00 1.42 C ATOM 360 CZ TYR A 379 5.416 9.611 -6.361 1.00 62.12 C ATOM 361 OH TYR A 379 5.294 10.739 -5.599 1.00 70.41 O ATOM 0 H TYR A 379 4.464 4.566 -6.238 1.00 60.13 H new ATOM 0 HA TYR A 379 3.858 5.479 -8.099 1.00 41.20 H new ATOM 0 HB2 TYR A 379 6.802 5.655 -8.664 1.00 71.05 H new ATOM 0 HB3 TYR A 379 5.592 6.271 -9.772 1.00 71.05 H new ATOM 0 HD1 TYR A 379 6.525 6.457 -6.131 1.00 73.30 H new ATOM 0 HD2 TYR A 379 4.766 8.468 -9.452 1.00 42.03 H new ATOM 0 HE1 TYR A 379 6.299 8.487 -4.783 1.00 51.42 H new ATOM 0 HE2 TYR A 379 4.552 10.507 -8.092 1.00 1.42 H new ATOM 0 HH TYR A 379 4.887 11.452 -6.134 1.00 70.41 H new ATOM 371 N GLU A 380 4.371 2.662 -8.876 1.00 33.34 N ATOM 372 CA GLU A 380 3.965 1.621 -9.772 1.00 74.10 C ATOM 373 C GLU A 380 2.653 0.984 -9.387 1.00 65.21 C ATOM 374 O GLU A 380 1.595 1.361 -9.908 1.00 11.42 O ATOM 375 CB GLU A 380 5.040 0.561 -10.017 1.00 1.15 C ATOM 376 CG GLU A 380 6.196 1.057 -10.845 1.00 40.24 C ATOM 377 CD GLU A 380 7.110 -0.048 -11.285 1.00 53.40 C ATOM 378 OE1 GLU A 380 6.815 -0.695 -12.321 1.00 13.24 O ATOM 379 OE2 GLU A 380 8.132 -0.288 -10.625 1.00 30.54 O ATOM 0 H GLU A 380 4.561 2.358 -7.921 1.00 33.34 H new ATOM 0 HA GLU A 380 3.811 2.133 -10.722 1.00 74.10 H new ATOM 0 HB2 GLU A 380 5.416 0.208 -9.057 1.00 1.15 H new ATOM 0 HB3 GLU A 380 4.587 -0.296 -10.516 1.00 1.15 H new ATOM 0 HG2 GLU A 380 5.812 1.576 -11.723 1.00 40.24 H new ATOM 0 HG3 GLU A 380 6.765 1.785 -10.267 1.00 40.24 H new ATOM 386 N ASN A 381 2.701 0.052 -8.462 1.00 4.22 N ATOM 387 CA ASN A 381 1.531 -0.744 -8.114 1.00 35.10 C ATOM 388 C ASN A 381 1.741 -1.587 -6.871 1.00 1.15 C ATOM 389 O ASN A 381 2.884 -1.872 -6.483 1.00 45.14 O ATOM 390 CB ASN A 381 1.062 -1.614 -9.317 1.00 3.32 C ATOM 391 CG ASN A 381 2.188 -2.376 -10.043 1.00 34.32 C ATOM 392 OD1 ASN A 381 3.246 -2.736 -9.345 1.00 33.35 O flip ATOM 393 ND2 ASN A 381 2.090 -2.630 -11.239 1.00 31.21 N flip ATOM 0 H ASN A 381 3.540 -0.179 -7.931 1.00 4.22 H new ATOM 0 HA ASN A 381 0.736 -0.038 -7.876 1.00 35.10 H new ATOM 0 HB2 ASN A 381 0.326 -2.335 -8.961 1.00 3.32 H new ATOM 0 HB3 ASN A 381 0.556 -0.971 -10.037 1.00 3.32 H new ATOM 0 HD21 ASN A 381 1.260 -2.340 -11.756 1.00 31.21 H new ATOM 0 HD22 ASN A 381 2.839 -3.132 -11.717 1.00 31.21 H new ATOM 399 N VAL A 382 0.636 -1.971 -6.269 1.00 75.14 N ATOM 400 CA VAL A 382 0.598 -2.772 -5.052 1.00 3.13 C ATOM 401 C VAL A 382 -0.011 -4.124 -5.373 1.00 63.43 C ATOM 402 O VAL A 382 -0.898 -4.212 -6.226 1.00 4.43 O ATOM 403 CB VAL A 382 -0.267 -2.074 -3.943 1.00 33.13 C ATOM 404 CG1 VAL A 382 -0.358 -2.905 -2.664 1.00 63.44 C ATOM 405 CG2 VAL A 382 0.297 -0.728 -3.616 1.00 51.52 C ATOM 0 H VAL A 382 -0.291 -1.730 -6.619 1.00 75.14 H new ATOM 0 HA VAL A 382 1.616 -2.885 -4.678 1.00 3.13 H new ATOM 0 HB VAL A 382 -1.274 -1.972 -4.348 1.00 33.13 H new ATOM 0 HG11 VAL A 382 -0.967 -2.377 -1.930 1.00 63.44 H new ATOM 0 HG12 VAL A 382 -0.814 -3.869 -2.888 1.00 63.44 H new ATOM 0 HG13 VAL A 382 0.642 -3.062 -2.260 1.00 63.44 H new ATOM 0 HG21 VAL A 382 -0.313 -0.255 -2.846 1.00 51.52 H new ATOM 0 HG22 VAL A 382 1.318 -0.840 -3.252 1.00 51.52 H new ATOM 0 HG23 VAL A 382 0.297 -0.106 -4.511 1.00 51.52 H new ATOM 411 N PHE A 383 0.462 -5.158 -4.718 1.00 32.34 N ATOM 412 CA PHE A 383 -0.031 -6.505 -4.917 1.00 4.44 C ATOM 413 C PHE A 383 -0.294 -7.192 -3.609 1.00 40.32 C ATOM 414 O PHE A 383 0.337 -6.896 -2.594 1.00 61.30 O ATOM 415 CB PHE A 383 0.947 -7.361 -5.744 1.00 11.51 C ATOM 416 CG PHE A 383 1.079 -6.932 -7.158 1.00 54.12 C ATOM 417 CD1 PHE A 383 1.876 -5.868 -7.496 1.00 3.23 C ATOM 418 CD2 PHE A 383 0.392 -7.591 -8.155 1.00 2.21 C ATOM 419 CE1 PHE A 383 1.985 -5.464 -8.789 1.00 73.21 C ATOM 420 CE2 PHE A 383 0.501 -7.191 -9.460 1.00 65.10 C ATOM 421 CZ PHE A 383 1.300 -6.121 -9.777 1.00 64.41 C ATOM 0 H PHE A 383 1.207 -5.090 -4.025 1.00 32.34 H new ATOM 0 HA PHE A 383 -0.966 -6.408 -5.469 1.00 4.44 H new ATOM 0 HB2 PHE A 383 1.929 -7.329 -5.272 1.00 11.51 H new ATOM 0 HB3 PHE A 383 0.615 -8.399 -5.720 1.00 11.51 H new ATOM 0 HD1 PHE A 383 2.423 -5.345 -6.726 1.00 3.23 H new ATOM 0 HD2 PHE A 383 -0.239 -8.431 -7.904 1.00 2.21 H new ATOM 0 HE1 PHE A 383 2.614 -4.622 -9.039 1.00 73.21 H new ATOM 0 HE2 PHE A 383 -0.039 -7.714 -10.235 1.00 65.10 H new ATOM 0 HZ PHE A 383 1.389 -5.797 -10.804 1.00 64.41 H new ATOM 431 N GLN A 384 -1.243 -8.078 -3.639 1.00 50.43 N ATOM 432 CA GLN A 384 -1.548 -8.929 -2.547 1.00 21.11 C ATOM 433 C GLN A 384 -1.346 -10.341 -3.049 1.00 52.13 C ATOM 434 O GLN A 384 -2.201 -10.891 -3.752 1.00 32.42 O ATOM 435 CB GLN A 384 -2.986 -8.736 -2.088 1.00 14.24 C ATOM 436 CG GLN A 384 -3.355 -9.508 -0.839 1.00 70.20 C ATOM 437 CD GLN A 384 -4.825 -9.450 -0.548 1.00 70.31 C ATOM 438 OE1 GLN A 384 -5.584 -10.290 -1.011 1.00 34.42 O ATOM 439 NE2 GLN A 384 -5.241 -8.473 0.188 1.00 72.54 N ATOM 0 H GLN A 384 -1.840 -8.227 -4.452 1.00 50.43 H new ATOM 0 HA GLN A 384 -0.911 -8.708 -1.691 1.00 21.11 H new ATOM 0 HB2 GLN A 384 -3.157 -7.675 -1.908 1.00 14.24 H new ATOM 0 HB3 GLN A 384 -3.655 -9.034 -2.895 1.00 14.24 H new ATOM 0 HG2 GLN A 384 -3.050 -10.548 -0.954 1.00 70.20 H new ATOM 0 HG3 GLN A 384 -2.803 -9.106 0.010 1.00 70.20 H new ATOM 0 HE21 GLN A 384 -4.576 -7.792 0.556 1.00 72.54 H new ATOM 0 HE22 GLN A 384 -6.234 -8.382 0.401 1.00 72.54 H new ATOM 447 N ASP A 385 -0.186 -10.871 -2.753 1.00 75.34 N ATOM 448 CA ASP A 385 0.277 -12.206 -3.167 1.00 23.34 C ATOM 449 C ASP A 385 0.563 -12.255 -4.652 1.00 73.12 C ATOM 450 O ASP A 385 1.702 -12.122 -5.083 1.00 2.05 O ATOM 451 CB ASP A 385 -0.709 -13.309 -2.809 1.00 73.33 C ATOM 452 CG ASP A 385 -0.141 -14.684 -3.099 1.00 73.43 C ATOM 453 OD1 ASP A 385 0.624 -15.206 -2.264 1.00 24.24 O ATOM 454 OD2 ASP A 385 -0.455 -15.254 -4.168 1.00 65.11 O ATOM 0 H ASP A 385 0.506 -10.374 -2.192 1.00 75.34 H new ATOM 0 HA ASP A 385 1.198 -12.384 -2.613 1.00 23.34 H new ATOM 0 HB2 ASP A 385 -0.967 -13.237 -1.753 1.00 73.33 H new ATOM 0 HB3 ASP A 385 -1.631 -13.170 -3.373 1.00 73.33 H new ATOM 459 N SER A 386 -0.482 -12.425 -5.416 1.00 42.45 N ATOM 460 CA SER A 386 -0.405 -12.483 -6.844 1.00 51.25 C ATOM 461 C SER A 386 -1.532 -11.630 -7.421 1.00 13.10 C ATOM 462 O SER A 386 -1.712 -11.535 -8.631 1.00 53.31 O ATOM 463 CB SER A 386 -0.568 -13.940 -7.302 1.00 41.11 C ATOM 464 OG SER A 386 0.356 -14.802 -6.628 1.00 51.32 O ATOM 0 H SER A 386 -1.429 -12.529 -5.052 1.00 42.45 H new ATOM 0 HA SER A 386 0.559 -12.108 -7.189 1.00 51.25 H new ATOM 0 HB2 SER A 386 -1.588 -14.273 -7.108 1.00 41.11 H new ATOM 0 HB3 SER A 386 -0.411 -14.005 -8.379 1.00 41.11 H new ATOM 0 HG SER A 386 0.071 -14.924 -5.698 1.00 51.32 H new ATOM 470 N ILE A 387 -2.308 -11.024 -6.537 1.00 3.22 N ATOM 471 CA ILE A 387 -3.427 -10.199 -6.961 1.00 72.44 C ATOM 472 C ILE A 387 -3.007 -8.730 -7.001 1.00 65.32 C ATOM 473 O ILE A 387 -2.372 -8.243 -6.072 1.00 54.31 O ATOM 474 CB ILE A 387 -4.641 -10.375 -5.996 1.00 41.15 C ATOM 475 CG1 ILE A 387 -5.114 -11.844 -5.967 1.00 11.30 C ATOM 476 CG2 ILE A 387 -5.796 -9.446 -6.366 1.00 31.42 C ATOM 477 CD1 ILE A 387 -5.591 -12.385 -7.308 1.00 42.42 C ATOM 0 H ILE A 387 -2.185 -11.087 -5.526 1.00 3.22 H new ATOM 0 HA ILE A 387 -3.728 -10.516 -7.959 1.00 72.44 H new ATOM 0 HB ILE A 387 -4.303 -10.101 -4.997 1.00 41.15 H new ATOM 0 HG12 ILE A 387 -4.295 -12.468 -5.609 1.00 11.30 H new ATOM 0 HG13 ILE A 387 -5.925 -11.936 -5.244 1.00 11.30 H new ATOM 0 HG21 ILE A 387 -6.622 -9.598 -5.671 1.00 31.42 H new ATOM 0 HG22 ILE A 387 -5.462 -8.410 -6.311 1.00 31.42 H new ATOM 0 HG23 ILE A 387 -6.129 -9.666 -7.380 1.00 31.42 H new ATOM 0 HD11 ILE A 387 -5.904 -13.423 -7.191 1.00 42.42 H new ATOM 0 HD12 ILE A 387 -6.433 -11.790 -7.662 1.00 42.42 H new ATOM 0 HD13 ILE A 387 -4.778 -12.330 -8.032 1.00 42.42 H new ATOM 484 N LEU A 388 -3.370 -8.034 -8.061 1.00 52.31 N ATOM 485 CA LEU A 388 -3.056 -6.626 -8.201 1.00 5.34 C ATOM 486 C LEU A 388 -3.993 -5.832 -7.325 1.00 45.05 C ATOM 487 O LEU A 388 -5.193 -5.835 -7.521 1.00 73.24 O ATOM 488 CB LEU A 388 -3.197 -6.199 -9.671 1.00 20.13 C ATOM 489 CG LEU A 388 -3.004 -4.714 -10.000 1.00 1.23 C ATOM 490 CD1 LEU A 388 -1.620 -4.231 -9.622 1.00 62.13 C ATOM 491 CD2 LEU A 388 -3.276 -4.472 -11.475 1.00 72.14 C ATOM 0 H LEU A 388 -3.889 -8.427 -8.846 1.00 52.31 H new ATOM 0 HA LEU A 388 -2.027 -6.441 -7.892 1.00 5.34 H new ATOM 0 HB2 LEU A 388 -2.477 -6.769 -10.257 1.00 20.13 H new ATOM 0 HB3 LEU A 388 -4.190 -6.493 -10.013 1.00 20.13 H new ATOM 0 HG LEU A 388 -3.717 -4.141 -9.407 1.00 1.23 H new ATOM 0 HD11 LEU A 388 -1.523 -3.174 -9.871 1.00 62.13 H new ATOM 0 HD12 LEU A 388 -1.467 -4.367 -8.551 1.00 62.13 H new ATOM 0 HD13 LEU A 388 -0.872 -4.803 -10.171 1.00 62.13 H new ATOM 0 HD21 LEU A 388 -3.137 -3.415 -11.702 1.00 72.14 H new ATOM 0 HD22 LEU A 388 -2.586 -5.066 -12.074 1.00 72.14 H new ATOM 0 HD23 LEU A 388 -4.301 -4.762 -11.708 1.00 72.14 H new ATOM 499 N LEU A 389 -3.451 -5.188 -6.353 1.00 3.24 N ATOM 500 CA LEU A 389 -4.211 -4.484 -5.422 1.00 63.45 C ATOM 501 C LEU A 389 -4.606 -3.142 -6.007 1.00 2.14 C ATOM 502 O LEU A 389 -5.761 -2.900 -6.266 1.00 55.10 O ATOM 503 CB LEU A 389 -3.338 -4.318 -4.218 1.00 25.23 C ATOM 504 CG LEU A 389 -3.988 -4.125 -2.891 1.00 53.35 C ATOM 505 CD1 LEU A 389 -4.872 -2.900 -2.821 1.00 32.45 C ATOM 506 CD2 LEU A 389 -4.705 -5.372 -2.456 1.00 61.54 C ATOM 0 H LEU A 389 -2.445 -5.144 -6.192 1.00 3.24 H new ATOM 0 HA LEU A 389 -5.132 -5.004 -5.157 1.00 63.45 H new ATOM 0 HB2 LEU A 389 -2.697 -5.197 -4.149 1.00 25.23 H new ATOM 0 HB3 LEU A 389 -2.687 -3.462 -4.396 1.00 25.23 H new ATOM 0 HG LEU A 389 -3.185 -3.933 -2.179 1.00 53.35 H new ATOM 0 HD11 LEU A 389 -5.311 -2.824 -1.826 1.00 32.45 H new ATOM 0 HD12 LEU A 389 -4.277 -2.010 -3.024 1.00 32.45 H new ATOM 0 HD13 LEU A 389 -5.666 -2.982 -3.563 1.00 32.45 H new ATOM 0 HD21 LEU A 389 -5.170 -5.204 -1.485 1.00 61.54 H new ATOM 0 HD22 LEU A 389 -5.473 -5.624 -3.188 1.00 61.54 H new ATOM 0 HD23 LEU A 389 -3.993 -6.193 -2.380 1.00 61.54 H new ATOM 514 N GLY A 390 -3.653 -2.299 -6.254 1.00 14.55 N ATOM 515 CA GLY A 390 -3.989 -1.014 -6.757 1.00 53.44 C ATOM 516 C GLY A 390 -2.870 -0.394 -7.493 1.00 71.55 C ATOM 517 O GLY A 390 -1.700 -0.749 -7.288 1.00 73.41 O ATOM 0 H GLY A 390 -2.658 -2.475 -6.118 1.00 14.55 H new ATOM 0 HA2 GLY A 390 -4.853 -1.098 -7.416 1.00 53.44 H new ATOM 0 HA3 GLY A 390 -4.281 -0.367 -5.930 1.00 53.44 H new ATOM 521 N ASN A 391 -3.210 0.497 -8.357 1.00 31.13 N ATOM 522 CA ASN A 391 -2.263 1.235 -9.130 1.00 71.03 C ATOM 523 C ASN A 391 -2.102 2.580 -8.461 1.00 50.44 C ATOM 524 O ASN A 391 -3.068 3.121 -7.938 1.00 2.34 O ATOM 525 CB ASN A 391 -2.791 1.456 -10.559 1.00 24.41 C ATOM 526 CG ASN A 391 -3.226 0.183 -11.299 1.00 25.51 C ATOM 527 OD1 ASN A 391 -2.703 -0.958 -10.921 1.00 63.21 O flip ATOM 528 ND2 ASN A 391 -4.081 0.236 -12.176 1.00 42.21 N flip ATOM 0 H ASN A 391 -4.180 0.742 -8.554 1.00 31.13 H new ATOM 0 HA ASN A 391 -1.319 0.693 -9.189 1.00 71.03 H new ATOM 0 HB2 ASN A 391 -3.639 2.139 -10.514 1.00 24.41 H new ATOM 0 HB3 ASN A 391 -2.015 1.950 -11.144 1.00 24.41 H new ATOM 0 HD21 ASN A 391 -4.473 1.136 -12.453 1.00 42.21 H new ATOM 0 HD22 ASN A 391 -4.401 -0.620 -12.629 1.00 42.21 H new ATOM 534 N PHE A 392 -0.919 3.111 -8.458 1.00 43.24 N ATOM 535 CA PHE A 392 -0.673 4.400 -7.827 1.00 53.23 C ATOM 536 C PHE A 392 -1.299 5.515 -8.638 1.00 24.55 C ATOM 537 O PHE A 392 -0.896 5.766 -9.771 1.00 73.41 O ATOM 538 CB PHE A 392 0.826 4.638 -7.673 1.00 73.01 C ATOM 539 CG PHE A 392 1.513 3.806 -6.628 1.00 0.24 C ATOM 540 CD1 PHE A 392 1.322 2.440 -6.546 1.00 21.22 C ATOM 541 CD2 PHE A 392 2.364 4.404 -5.727 1.00 43.00 C ATOM 542 CE1 PHE A 392 1.973 1.694 -5.591 1.00 24.25 C ATOM 543 CE2 PHE A 392 3.021 3.663 -4.774 1.00 51.43 C ATOM 544 CZ PHE A 392 2.825 2.310 -4.707 1.00 72.24 C ATOM 0 H PHE A 392 -0.097 2.682 -8.883 1.00 43.24 H new ATOM 0 HA PHE A 392 -1.129 4.392 -6.837 1.00 53.23 H new ATOM 0 HB2 PHE A 392 1.306 4.451 -8.634 1.00 73.01 H new ATOM 0 HB3 PHE A 392 0.986 5.690 -7.437 1.00 73.01 H new ATOM 0 HD1 PHE A 392 0.654 1.952 -7.240 1.00 21.22 H new ATOM 0 HD2 PHE A 392 2.518 5.472 -5.769 1.00 43.00 H new ATOM 0 HE1 PHE A 392 1.815 0.627 -5.536 1.00 24.25 H new ATOM 0 HE2 PHE A 392 3.691 4.148 -4.079 1.00 51.43 H new ATOM 0 HZ PHE A 392 3.341 1.726 -3.959 1.00 72.24 H new ATOM 554 N ALA A 393 -2.262 6.188 -8.056 1.00 34.44 N ATOM 555 CA ALA A 393 -2.960 7.238 -8.759 1.00 45.51 C ATOM 556 C ALA A 393 -2.468 8.613 -8.336 1.00 23.40 C ATOM 557 O ALA A 393 -2.163 9.461 -9.181 1.00 51.14 O ATOM 558 CB ALA A 393 -4.459 7.109 -8.545 1.00 71.14 C ATOM 0 H ALA A 393 -2.580 6.028 -7.100 1.00 34.44 H new ATOM 0 HA ALA A 393 -2.749 7.130 -9.823 1.00 45.51 H new ATOM 0 HB1 ALA A 393 -4.973 7.907 -9.081 1.00 71.14 H new ATOM 0 HB2 ALA A 393 -4.798 6.143 -8.920 1.00 71.14 H new ATOM 0 HB3 ALA A 393 -4.682 7.184 -7.481 1.00 71.14 H new ATOM 564 N SER A 394 -2.367 8.828 -7.046 1.00 13.45 N ATOM 565 CA SER A 394 -1.921 10.094 -6.528 1.00 62.44 C ATOM 566 C SER A 394 -1.377 9.920 -5.137 1.00 42.22 C ATOM 567 O SER A 394 -1.899 9.122 -4.348 1.00 2.34 O ATOM 568 CB SER A 394 -3.066 11.121 -6.554 1.00 30.21 C ATOM 569 OG SER A 394 -4.229 10.624 -5.884 1.00 33.23 O ATOM 0 H SER A 394 -2.590 8.134 -6.332 1.00 13.45 H new ATOM 0 HA SER A 394 -1.120 10.474 -7.162 1.00 62.44 H new ATOM 0 HB2 SER A 394 -2.738 12.046 -6.079 1.00 30.21 H new ATOM 0 HB3 SER A 394 -3.315 11.364 -7.587 1.00 30.21 H new ATOM 0 HG SER A 394 -4.938 11.299 -5.916 1.00 33.23 H new ATOM 575 N GLN A 395 -0.314 10.607 -4.849 1.00 23.34 N ATOM 576 CA GLN A 395 0.280 10.563 -3.561 1.00 52.42 C ATOM 577 C GLN A 395 0.898 11.876 -3.208 1.00 3.32 C ATOM 578 O GLN A 395 1.406 12.592 -4.084 1.00 22.22 O ATOM 579 CB GLN A 395 1.322 9.448 -3.442 1.00 15.03 C ATOM 580 CG GLN A 395 2.455 9.435 -4.484 1.00 24.23 C ATOM 581 CD GLN A 395 2.022 9.128 -5.924 1.00 14.02 C ATOM 582 OE1 GLN A 395 1.690 10.024 -6.693 1.00 51.23 O ATOM 583 NE2 GLN A 395 2.053 7.872 -6.299 1.00 10.00 N ATOM 0 H GLN A 395 0.165 11.217 -5.512 1.00 23.34 H new ATOM 0 HA GLN A 395 -0.523 10.347 -2.856 1.00 52.42 H new ATOM 0 HB2 GLN A 395 1.773 9.511 -2.452 1.00 15.03 H new ATOM 0 HB3 GLN A 395 0.802 8.492 -3.495 1.00 15.03 H new ATOM 0 HG2 GLN A 395 2.949 10.406 -4.471 1.00 24.23 H new ATOM 0 HG3 GLN A 395 3.196 8.696 -4.180 1.00 24.23 H new ATOM 0 HE21 GLN A 395 2.333 7.149 -5.637 1.00 10.00 H new ATOM 0 HE22 GLN A 395 1.797 7.618 -7.253 1.00 10.00 H new ATOM 591 N GLU A 396 0.839 12.210 -1.957 1.00 44.11 N ATOM 592 CA GLU A 396 1.446 13.399 -1.485 1.00 31.10 C ATOM 593 C GLU A 396 2.320 13.080 -0.294 1.00 3.14 C ATOM 594 O GLU A 396 1.814 12.686 0.770 1.00 13.02 O ATOM 595 CB GLU A 396 0.406 14.435 -1.098 1.00 73.51 C ATOM 596 CG GLU A 396 1.018 15.768 -0.729 1.00 63.04 C ATOM 597 CD GLU A 396 0.011 16.767 -0.275 1.00 13.24 C ATOM 598 OE1 GLU A 396 -0.713 17.331 -1.126 1.00 21.41 O ATOM 599 OE2 GLU A 396 -0.069 17.031 0.937 1.00 5.11 O ATOM 0 H GLU A 396 0.366 11.661 -1.239 1.00 44.11 H new ATOM 0 HA GLU A 396 2.053 13.816 -2.289 1.00 31.10 H new ATOM 0 HB2 GLU A 396 -0.287 14.575 -1.928 1.00 73.51 H new ATOM 0 HB3 GLU A 396 -0.177 14.062 -0.256 1.00 73.51 H new ATOM 0 HG2 GLU A 396 1.753 15.617 0.061 1.00 63.04 H new ATOM 0 HG3 GLU A 396 1.553 16.166 -1.591 1.00 63.04 H new ATOM 606 N GLY A 397 3.611 13.195 -0.485 1.00 23.50 N ATOM 607 CA GLY A 397 4.564 13.021 0.587 1.00 42.11 C ATOM 608 C GLY A 397 4.632 11.614 1.123 1.00 30.51 C ATOM 609 O GLY A 397 5.225 10.732 0.503 1.00 61.11 O ATOM 0 H GLY A 397 4.033 13.412 -1.388 1.00 23.50 H new ATOM 0 HA2 GLY A 397 5.553 13.312 0.232 1.00 42.11 H new ATOM 0 HA3 GLY A 397 4.306 13.697 1.402 1.00 42.11 H new ATOM 613 N ASN A 398 4.018 11.406 2.264 1.00 10.31 N ATOM 614 CA ASN A 398 4.063 10.125 2.944 1.00 21.15 C ATOM 615 C ASN A 398 2.670 9.492 3.041 1.00 44.32 C ATOM 616 O ASN A 398 2.443 8.566 3.824 1.00 61.41 O ATOM 617 CB ASN A 398 4.708 10.289 4.343 1.00 2.02 C ATOM 618 CG ASN A 398 3.942 11.221 5.276 1.00 62.01 C ATOM 619 OD1 ASN A 398 4.152 12.435 5.273 1.00 75.43 O ATOM 620 ND2 ASN A 398 3.114 10.665 6.115 1.00 72.32 N ATOM 0 H ASN A 398 3.472 12.117 2.750 1.00 10.31 H new ATOM 0 HA ASN A 398 4.681 9.445 2.357 1.00 21.15 H new ATOM 0 HB2 ASN A 398 4.788 9.308 4.812 1.00 2.02 H new ATOM 0 HB3 ASN A 398 5.723 10.668 4.221 1.00 2.02 H new ATOM 0 HD21 ASN A 398 2.617 11.238 6.796 1.00 72.32 H new ATOM 0 HD22 ASN A 398 2.963 9.656 6.090 1.00 72.32 H new ATOM 626 N VAL A 399 1.744 9.971 2.221 1.00 32.11 N ATOM 627 CA VAL A 399 0.400 9.412 2.178 1.00 54.53 C ATOM 628 C VAL A 399 0.077 9.108 0.728 1.00 32.52 C ATOM 629 O VAL A 399 0.007 10.023 -0.109 1.00 72.13 O ATOM 630 CB VAL A 399 -0.676 10.380 2.765 1.00 34.32 C ATOM 631 CG1 VAL A 399 -2.055 9.726 2.739 1.00 40.11 C ATOM 632 CG2 VAL A 399 -0.321 10.801 4.189 1.00 44.34 C ATOM 0 H VAL A 399 1.899 10.746 1.576 1.00 32.11 H new ATOM 0 HA VAL A 399 0.377 8.513 2.794 1.00 54.53 H new ATOM 0 HB VAL A 399 -0.697 11.273 2.141 1.00 34.32 H new ATOM 0 HG11 VAL A 399 -2.792 10.415 3.152 1.00 40.11 H new ATOM 0 HG12 VAL A 399 -2.322 9.481 1.711 1.00 40.11 H new ATOM 0 HG13 VAL A 399 -2.037 8.814 3.336 1.00 40.11 H new ATOM 0 HG21 VAL A 399 -1.088 11.475 4.571 1.00 44.34 H new ATOM 0 HG22 VAL A 399 -0.263 9.918 4.826 1.00 44.34 H new ATOM 0 HG23 VAL A 399 0.642 11.311 4.188 1.00 44.34 H new ATOM 638 N LEU A 400 -0.118 7.850 0.425 1.00 61.55 N ATOM 639 CA LEU A 400 -0.288 7.426 -0.948 1.00 25.31 C ATOM 640 C LEU A 400 -1.639 6.746 -1.192 1.00 31.11 C ATOM 641 O LEU A 400 -2.109 5.953 -0.368 1.00 22.52 O ATOM 642 CB LEU A 400 0.846 6.473 -1.387 1.00 44.14 C ATOM 643 CG LEU A 400 2.314 6.996 -1.450 1.00 75.13 C ATOM 644 CD1 LEU A 400 2.916 7.299 -0.092 1.00 12.41 C ATOM 645 CD2 LEU A 400 3.189 6.032 -2.210 1.00 64.10 C ATOM 0 H LEU A 400 -0.164 7.096 1.111 1.00 61.55 H new ATOM 0 HA LEU A 400 -0.252 8.336 -1.547 1.00 25.31 H new ATOM 0 HB2 LEU A 400 0.834 5.619 -0.710 1.00 44.14 H new ATOM 0 HB3 LEU A 400 0.591 6.098 -2.378 1.00 44.14 H new ATOM 0 HG LEU A 400 2.269 7.947 -1.980 1.00 75.13 H new ATOM 0 HD11 LEU A 400 3.938 7.658 -0.219 1.00 12.41 H new ATOM 0 HD12 LEU A 400 2.322 8.065 0.407 1.00 12.41 H new ATOM 0 HD13 LEU A 400 2.922 6.393 0.514 1.00 12.41 H new ATOM 0 HD21 LEU A 400 4.209 6.415 -2.243 1.00 64.10 H new ATOM 0 HD22 LEU A 400 3.181 5.063 -1.711 1.00 64.10 H new ATOM 0 HD23 LEU A 400 2.810 5.920 -3.226 1.00 64.10 H new ATOM 653 N LYS A 401 -2.240 7.058 -2.333 1.00 64.22 N ATOM 654 CA LYS A 401 -3.501 6.464 -2.769 1.00 64.54 C ATOM 655 C LYS A 401 -3.319 5.585 -3.982 1.00 42.54 C ATOM 656 O LYS A 401 -2.807 6.031 -5.030 1.00 63.21 O ATOM 657 CB LYS A 401 -4.552 7.530 -3.063 1.00 51.42 C ATOM 658 CG LYS A 401 -5.286 8.045 -1.844 1.00 71.10 C ATOM 659 CD LYS A 401 -6.164 6.947 -1.221 1.00 35.23 C ATOM 660 CE LYS A 401 -7.220 6.423 -2.202 1.00 22.32 C ATOM 661 NZ LYS A 401 -8.117 7.492 -2.697 1.00 3.44 N ATOM 0 H LYS A 401 -1.862 7.739 -2.991 1.00 64.22 H new ATOM 0 HA LYS A 401 -3.850 5.845 -1.943 1.00 64.54 H new ATOM 0 HB2 LYS A 401 -4.069 8.370 -3.561 1.00 51.42 H new ATOM 0 HB3 LYS A 401 -5.280 7.120 -3.763 1.00 51.42 H new ATOM 0 HG2 LYS A 401 -4.567 8.402 -1.107 1.00 71.10 H new ATOM 0 HG3 LYS A 401 -5.907 8.897 -2.122 1.00 71.10 H new ATOM 0 HD2 LYS A 401 -5.532 6.121 -0.894 1.00 35.23 H new ATOM 0 HD3 LYS A 401 -6.659 7.340 -0.333 1.00 35.23 H new ATOM 0 HE2 LYS A 401 -6.722 5.951 -3.049 1.00 22.32 H new ATOM 0 HE3 LYS A 401 -7.815 5.652 -1.712 1.00 22.32 H new ATOM 0 HZ1 LYS A 401 -8.882 7.070 -3.261 1.00 3.44 H new ATOM 0 HZ2 LYS A 401 -8.524 8.005 -1.889 1.00 3.44 H new ATOM 0 HZ3 LYS A 401 -7.575 8.153 -3.289 1.00 3.44 H new ATOM 675 N TYR A 402 -3.712 4.341 -3.844 1.00 22.14 N ATOM 676 CA TYR A 402 -3.624 3.398 -4.934 1.00 62.33 C ATOM 677 C TYR A 402 -5.033 2.927 -5.254 1.00 42.35 C ATOM 678 O TYR A 402 -5.800 2.647 -4.340 1.00 61.54 O ATOM 679 CB TYR A 402 -2.786 2.174 -4.531 1.00 34.03 C ATOM 680 CG TYR A 402 -1.650 2.468 -3.585 1.00 21.11 C ATOM 681 CD1 TYR A 402 -0.665 3.362 -3.906 1.00 14.34 C ATOM 682 CD2 TYR A 402 -1.581 1.840 -2.352 1.00 21.54 C ATOM 683 CE1 TYR A 402 0.358 3.621 -3.035 1.00 61.12 C ATOM 684 CE2 TYR A 402 -0.551 2.097 -1.484 1.00 22.05 C ATOM 685 CZ TYR A 402 0.413 2.986 -1.832 1.00 44.12 C ATOM 686 OH TYR A 402 1.456 3.233 -0.972 1.00 54.12 O ATOM 0 H TYR A 402 -4.098 3.956 -2.982 1.00 22.14 H new ATOM 0 HA TYR A 402 -3.153 3.880 -5.791 1.00 62.33 H new ATOM 0 HB2 TYR A 402 -3.443 1.438 -4.069 1.00 34.03 H new ATOM 0 HB3 TYR A 402 -2.380 1.717 -5.433 1.00 34.03 H new ATOM 0 HD1 TYR A 402 -0.695 3.870 -4.859 1.00 14.34 H new ATOM 0 HD2 TYR A 402 -2.351 1.137 -2.070 1.00 21.54 H new ATOM 0 HE1 TYR A 402 1.125 4.332 -3.303 1.00 61.12 H new ATOM 0 HE2 TYR A 402 -0.507 1.595 -0.529 1.00 22.05 H new ATOM 0 HH TYR A 402 2.301 2.991 -1.405 1.00 54.12 H new ATOM 696 N GLU A 403 -5.379 2.852 -6.507 1.00 22.51 N ATOM 697 CA GLU A 403 -6.701 2.391 -6.900 1.00 71.24 C ATOM 698 C GLU A 403 -6.691 1.651 -8.186 1.00 71.24 C ATOM 699 O GLU A 403 -5.663 1.532 -8.851 1.00 60.11 O ATOM 700 CB GLU A 403 -7.704 3.543 -7.024 1.00 22.01 C ATOM 701 CG GLU A 403 -7.232 4.687 -7.888 1.00 13.04 C ATOM 702 CD GLU A 403 -8.270 5.750 -8.024 1.00 0.23 C ATOM 703 OE1 GLU A 403 -9.174 5.591 -8.863 1.00 31.22 O ATOM 704 OE2 GLU A 403 -8.212 6.757 -7.291 1.00 45.43 O ATOM 0 H GLU A 403 -4.769 3.103 -7.285 1.00 22.51 H new ATOM 0 HA GLU A 403 -7.010 1.718 -6.100 1.00 71.24 H new ATOM 0 HB2 GLU A 403 -8.637 3.155 -7.433 1.00 22.01 H new ATOM 0 HB3 GLU A 403 -7.927 3.924 -6.027 1.00 22.01 H new ATOM 0 HG2 GLU A 403 -6.327 5.117 -7.458 1.00 13.04 H new ATOM 0 HG3 GLU A 403 -6.968 4.310 -8.876 1.00 13.04 H new ATOM 711 N ASN A 404 -7.848 1.132 -8.500 1.00 73.34 N ATOM 712 CA ASN A 404 -8.176 0.580 -9.781 1.00 61.10 C ATOM 713 C ASN A 404 -7.347 -0.647 -10.128 1.00 63.04 C ATOM 714 O ASN A 404 -7.065 -0.907 -11.295 1.00 64.51 O ATOM 715 CB ASN A 404 -8.054 1.672 -10.826 1.00 3.43 C ATOM 716 CG ASN A 404 -9.102 1.534 -11.868 1.00 44.43 C ATOM 717 OD1 ASN A 404 -8.901 0.931 -12.926 1.00 40.23 O ATOM 718 ND2 ASN A 404 -10.271 2.041 -11.536 1.00 71.25 N ATOM 0 H ASN A 404 -8.621 1.082 -7.837 1.00 73.34 H new ATOM 0 HA ASN A 404 -9.205 0.220 -9.753 1.00 61.10 H new ATOM 0 HB2 ASN A 404 -8.138 2.648 -10.348 1.00 3.43 H new ATOM 0 HB3 ASN A 404 -7.068 1.628 -11.289 1.00 3.43 H new ATOM 0 HD21 ASN A 404 -11.067 1.944 -12.167 1.00 71.25 H new ATOM 0 HD22 ASN A 404 -10.381 2.530 -10.648 1.00 71.25 H new ATOM 724 N GLY A 405 -7.010 -1.416 -9.107 1.00 13.13 N ATOM 725 CA GLY A 405 -6.292 -2.659 -9.286 1.00 53.40 C ATOM 726 C GLY A 405 -7.150 -3.778 -9.898 1.00 42.21 C ATOM 727 O GLY A 405 -7.940 -3.546 -10.819 1.00 24.01 O ATOM 0 H GLY A 405 -7.227 -1.195 -8.135 1.00 13.13 H new ATOM 0 HA2 GLY A 405 -5.428 -2.482 -9.927 1.00 53.40 H new ATOM 0 HA3 GLY A 405 -5.910 -2.991 -8.321 1.00 53.40 H new ATOM 731 N GLN A 406 -7.022 -4.967 -9.357 1.00 72.31 N ATOM 732 CA GLN A 406 -7.685 -6.149 -9.887 1.00 71.21 C ATOM 733 C GLN A 406 -9.185 -6.053 -9.568 1.00 62.45 C ATOM 734 O GLN A 406 -9.576 -5.607 -8.473 1.00 20.30 O ATOM 735 CB GLN A 406 -7.035 -7.405 -9.238 1.00 0.25 C ATOM 736 CG GLN A 406 -7.161 -8.753 -9.975 1.00 13.21 C ATOM 737 CD GLN A 406 -8.561 -9.263 -10.147 1.00 2.23 C ATOM 738 OE1 GLN A 406 -9.213 -8.993 -11.155 1.00 4.24 O ATOM 739 NE2 GLN A 406 -9.040 -9.984 -9.177 1.00 25.24 N ATOM 0 H GLN A 406 -6.452 -5.149 -8.531 1.00 72.31 H new ATOM 0 HA GLN A 406 -7.572 -6.223 -10.969 1.00 71.21 H new ATOM 0 HB2 GLN A 406 -5.974 -7.198 -9.102 1.00 0.25 H new ATOM 0 HB3 GLN A 406 -7.466 -7.527 -8.244 1.00 0.25 H new ATOM 0 HG2 GLN A 406 -6.705 -8.653 -10.960 1.00 13.21 H new ATOM 0 HG3 GLN A 406 -6.584 -9.501 -9.431 1.00 13.21 H new ATOM 0 HE21 GLN A 406 -8.465 -10.184 -8.359 1.00 25.24 H new ATOM 0 HE22 GLN A 406 -9.991 -10.349 -9.234 1.00 25.24 H new ATOM 747 N SER A 407 -9.991 -6.410 -10.531 1.00 75.33 N ATOM 748 CA SER A 407 -11.423 -6.397 -10.427 1.00 62.33 C ATOM 749 C SER A 407 -11.939 -7.377 -9.367 1.00 14.12 C ATOM 750 O SER A 407 -11.743 -8.591 -9.459 1.00 10.30 O ATOM 751 CB SER A 407 -12.023 -6.696 -11.804 1.00 71.22 C ATOM 752 OG SER A 407 -11.423 -7.858 -12.372 1.00 13.22 O ATOM 0 H SER A 407 -9.656 -6.729 -11.440 1.00 75.33 H new ATOM 0 HA SER A 407 -11.739 -5.407 -10.098 1.00 62.33 H new ATOM 0 HB2 SER A 407 -13.099 -6.843 -11.713 1.00 71.22 H new ATOM 0 HB3 SER A 407 -11.873 -5.843 -12.465 1.00 71.22 H new ATOM 0 HG SER A 407 -10.751 -8.214 -11.754 1.00 13.22 H new ATOM 758 N CYS A 408 -12.576 -6.839 -8.384 1.00 21.24 N ATOM 759 CA CYS A 408 -13.168 -7.599 -7.322 1.00 43.35 C ATOM 760 C CYS A 408 -14.638 -7.845 -7.648 1.00 62.25 C ATOM 761 O CYS A 408 -15.200 -7.138 -8.466 1.00 45.52 O ATOM 762 CB CYS A 408 -12.991 -6.836 -6.019 1.00 12.23 C ATOM 763 SG CYS A 408 -13.491 -5.089 -6.115 1.00 32.33 S ATOM 0 H CYS A 408 -12.706 -5.832 -8.289 1.00 21.24 H new ATOM 0 HA CYS A 408 -12.684 -8.570 -7.214 1.00 43.35 H new ATOM 0 HB2 CYS A 408 -13.572 -7.328 -5.239 1.00 12.23 H new ATOM 0 HB3 CYS A 408 -11.945 -6.888 -5.718 1.00 12.23 H new ATOM 768 N TRP A 409 -15.255 -8.853 -7.049 1.00 5.51 N ATOM 769 CA TRP A 409 -16.637 -9.158 -7.386 1.00 34.13 C ATOM 770 C TRP A 409 -17.576 -8.152 -6.701 1.00 13.43 C ATOM 771 O TRP A 409 -18.535 -7.658 -7.307 1.00 4.11 O ATOM 772 CB TRP A 409 -17.016 -10.633 -7.008 1.00 70.22 C ATOM 773 CG TRP A 409 -17.425 -10.850 -5.591 1.00 2.14 C ATOM 774 CD1 TRP A 409 -16.658 -11.237 -4.558 1.00 74.23 C ATOM 775 CD2 TRP A 409 -18.744 -10.679 -5.081 1.00 13.31 C ATOM 776 NE1 TRP A 409 -17.414 -11.298 -3.412 1.00 73.30 N ATOM 777 CE2 TRP A 409 -18.709 -10.960 -3.719 1.00 72.13 C ATOM 778 CE3 TRP A 409 -19.950 -10.302 -5.669 1.00 74.32 C ATOM 779 CZ2 TRP A 409 -19.841 -10.875 -2.917 1.00 42.04 C ATOM 780 CZ3 TRP A 409 -21.074 -10.218 -4.882 1.00 30.21 C ATOM 781 CH2 TRP A 409 -21.013 -10.503 -3.515 1.00 5.34 C ATOM 0 H TRP A 409 -14.834 -9.459 -6.345 1.00 5.51 H new ATOM 0 HA TRP A 409 -16.752 -9.069 -8.466 1.00 34.13 H new ATOM 0 HB2 TRP A 409 -17.830 -10.957 -7.656 1.00 70.22 H new ATOM 0 HB3 TRP A 409 -16.162 -11.275 -7.223 1.00 70.22 H new ATOM 0 HD1 TRP A 409 -15.604 -11.466 -4.619 1.00 74.23 H new ATOM 0 HE1 TRP A 409 -17.070 -11.552 -2.486 1.00 73.30 H new ATOM 0 HE3 TRP A 409 -20.001 -10.080 -6.725 1.00 74.32 H new ATOM 0 HZ2 TRP A 409 -19.797 -11.095 -1.861 1.00 42.04 H new ATOM 0 HZ3 TRP A 409 -22.015 -9.928 -5.325 1.00 30.21 H new ATOM 0 HH2 TRP A 409 -21.910 -10.428 -2.919 1.00 5.34 H new ATOM 792 N ASN A 410 -17.258 -7.815 -5.451 1.00 45.12 N ATOM 793 CA ASN A 410 -18.106 -6.954 -4.633 1.00 63.24 C ATOM 794 C ASN A 410 -17.888 -5.472 -4.897 1.00 30.43 C ATOM 795 O ASN A 410 -18.534 -4.625 -4.289 1.00 11.10 O ATOM 796 CB ASN A 410 -18.007 -7.297 -3.119 1.00 60.11 C ATOM 797 CG ASN A 410 -16.589 -7.364 -2.571 1.00 34.33 C ATOM 798 OD1 ASN A 410 -15.688 -6.718 -3.060 1.00 63.21 O ATOM 799 ND2 ASN A 410 -16.396 -8.152 -1.543 1.00 73.51 N ATOM 0 H ASN A 410 -16.410 -8.130 -4.981 1.00 45.12 H new ATOM 0 HA ASN A 410 -19.129 -7.167 -4.943 1.00 63.24 H new ATOM 0 HB2 ASN A 410 -18.565 -6.550 -2.554 1.00 60.11 H new ATOM 0 HB3 ASN A 410 -18.494 -8.257 -2.946 1.00 60.11 H new ATOM 0 HD21 ASN A 410 -15.466 -8.235 -1.131 1.00 73.51 H new ATOM 0 HD22 ASN A 410 -17.175 -8.683 -1.154 1.00 73.51 H new ATOM 805 N GLY A 411 -17.021 -5.176 -5.825 1.00 45.35 N ATOM 806 CA GLY A 411 -16.735 -3.817 -6.200 1.00 4.44 C ATOM 807 C GLY A 411 -16.272 -3.777 -7.632 1.00 42.51 C ATOM 808 O GLY A 411 -16.498 -4.735 -8.361 1.00 51.13 O ATOM 0 H GLY A 411 -16.490 -5.874 -6.346 1.00 45.35 H new ATOM 0 HA2 GLY A 411 -17.625 -3.200 -6.077 1.00 4.44 H new ATOM 0 HA3 GLY A 411 -15.967 -3.402 -5.547 1.00 4.44 H new ATOM 812 N PRO A 412 -15.648 -2.693 -8.096 1.00 62.11 N ATOM 813 CA PRO A 412 -15.138 -2.651 -9.448 1.00 71.34 C ATOM 814 C PRO A 412 -13.641 -3.034 -9.549 1.00 65.20 C ATOM 815 O PRO A 412 -13.244 -3.772 -10.439 1.00 71.31 O ATOM 816 CB PRO A 412 -15.336 -1.186 -9.819 1.00 50.23 C ATOM 817 CG PRO A 412 -15.240 -0.422 -8.521 1.00 74.00 C ATOM 818 CD PRO A 412 -15.462 -1.420 -7.389 1.00 25.45 C ATOM 0 HA PRO A 412 -15.642 -3.364 -10.100 1.00 71.34 H new ATOM 0 HB2 PRO A 412 -14.576 -0.855 -10.526 1.00 50.23 H new ATOM 0 HB3 PRO A 412 -16.304 -1.030 -10.295 1.00 50.23 H new ATOM 0 HG2 PRO A 412 -14.264 0.055 -8.427 1.00 74.00 H new ATOM 0 HG3 PRO A 412 -15.987 0.371 -8.486 1.00 74.00 H new ATOM 0 HD2 PRO A 412 -14.609 -1.457 -6.711 1.00 25.45 H new ATOM 0 HD3 PRO A 412 -16.335 -1.161 -6.789 1.00 25.45 H new ATOM 826 N HIS A 413 -12.835 -2.568 -8.608 1.00 13.22 N ATOM 827 CA HIS A 413 -11.397 -2.807 -8.595 1.00 64.05 C ATOM 828 C HIS A 413 -10.903 -2.587 -7.195 1.00 30.11 C ATOM 829 O HIS A 413 -11.508 -1.803 -6.438 1.00 3.41 O ATOM 830 CB HIS A 413 -10.623 -1.810 -9.504 1.00 31.21 C ATOM 831 CG HIS A 413 -10.959 -1.820 -10.968 1.00 43.44 C ATOM 832 ND1 HIS A 413 -10.540 -2.793 -11.835 1.00 42.42 N ATOM 833 CD2 HIS A 413 -11.701 -0.963 -11.704 1.00 71.02 C ATOM 834 CE1 HIS A 413 -11.012 -2.545 -13.030 1.00 4.44 C ATOM 835 NE2 HIS A 413 -11.720 -1.441 -12.982 1.00 12.11 N ATOM 0 H HIS A 413 -13.163 -2.007 -7.822 1.00 13.22 H new ATOM 0 HA HIS A 413 -11.227 -3.821 -8.957 1.00 64.05 H new ATOM 0 HB2 HIS A 413 -10.794 -0.803 -9.124 1.00 31.21 H new ATOM 0 HB3 HIS A 413 -9.557 -2.014 -9.400 1.00 31.21 H new ATOM 0 HD1 HIS A 413 -9.951 -3.588 -11.588 1.00 42.42 H new ATOM 0 HD2 HIS A 413 -12.188 -0.067 -11.347 1.00 71.02 H new ATOM 0 HE1 HIS A 413 -10.846 -3.149 -13.910 1.00 4.44 H new ATOM 844 N ARG A 414 -9.835 -3.257 -6.837 1.00 72.13 N ATOM 845 CA ARG A 414 -9.209 -3.037 -5.556 1.00 11.11 C ATOM 846 C ARG A 414 -8.504 -1.702 -5.498 1.00 14.11 C ATOM 847 O ARG A 414 -8.177 -1.097 -6.537 1.00 73.25 O ATOM 848 CB ARG A 414 -8.257 -4.161 -5.165 1.00 63.14 C ATOM 849 CG ARG A 414 -8.931 -5.449 -4.778 1.00 72.22 C ATOM 850 CD ARG A 414 -7.910 -6.514 -4.448 1.00 4.40 C ATOM 851 NE ARG A 414 -8.533 -7.789 -4.120 1.00 42.53 N ATOM 852 CZ ARG A 414 -7.949 -8.784 -3.448 1.00 54.14 C ATOM 853 NH1 ARG A 414 -6.732 -8.633 -2.947 1.00 5.03 N ATOM 854 NH2 ARG A 414 -8.594 -9.919 -3.261 1.00 1.14 N ATOM 0 H ARG A 414 -9.380 -3.962 -7.417 1.00 72.13 H new ATOM 0 HA ARG A 414 -10.018 -3.029 -4.826 1.00 11.11 H new ATOM 0 HB2 ARG A 414 -7.584 -4.356 -6.000 1.00 63.14 H new ATOM 0 HB3 ARG A 414 -7.641 -3.824 -4.331 1.00 63.14 H new ATOM 0 HG2 ARG A 414 -9.578 -5.281 -3.917 1.00 72.22 H new ATOM 0 HG3 ARG A 414 -9.568 -5.790 -5.594 1.00 72.22 H new ATOM 0 HD2 ARG A 414 -7.239 -6.647 -5.296 1.00 4.40 H new ATOM 0 HD3 ARG A 414 -7.300 -6.183 -3.608 1.00 4.40 H new ATOM 0 HE ARG A 414 -9.494 -7.934 -4.429 1.00 42.53 H new ATOM 0 HH11 ARG A 414 -6.234 -7.752 -3.073 1.00 5.03 H new ATOM 0 HH12 ARG A 414 -6.293 -9.398 -2.435 1.00 5.03 H new ATOM 0 HH21 ARG A 414 -9.538 -10.036 -3.630 1.00 1.14 H new ATOM 0 HH22 ARG A 414 -8.149 -10.680 -2.748 1.00 1.14 H new ATOM 866 N SER A 415 -8.291 -1.255 -4.307 1.00 61.42 N ATOM 867 CA SER A 415 -7.642 -0.019 -4.035 1.00 71.43 C ATOM 868 C SER A 415 -7.141 -0.021 -2.591 1.00 32.12 C ATOM 869 O SER A 415 -7.584 -0.839 -1.781 1.00 64.05 O ATOM 870 CB SER A 415 -8.606 1.156 -4.302 1.00 62.33 C ATOM 871 OG SER A 415 -9.829 1.009 -3.591 1.00 23.24 O ATOM 0 H SER A 415 -8.574 -1.759 -3.467 1.00 61.42 H new ATOM 0 HA SER A 415 -6.784 0.105 -4.696 1.00 71.43 H new ATOM 0 HB2 SER A 415 -8.128 2.092 -4.012 1.00 62.33 H new ATOM 0 HB3 SER A 415 -8.812 1.221 -5.370 1.00 62.33 H new ATOM 0 HG SER A 415 -10.413 1.772 -3.783 1.00 23.24 H new ATOM 877 N ALA A 416 -6.225 0.862 -2.273 1.00 32.42 N ATOM 878 CA ALA A 416 -5.687 0.936 -0.945 1.00 52.23 C ATOM 879 C ALA A 416 -5.094 2.284 -0.685 1.00 51.20 C ATOM 880 O ALA A 416 -4.608 2.959 -1.596 1.00 12.33 O ATOM 881 CB ALA A 416 -4.636 -0.143 -0.712 1.00 12.21 C ATOM 0 H ALA A 416 -5.837 1.543 -2.926 1.00 32.42 H new ATOM 0 HA ALA A 416 -6.511 0.772 -0.251 1.00 52.23 H new ATOM 0 HB1 ALA A 416 -4.248 -0.060 0.303 1.00 12.21 H new ATOM 0 HB2 ALA A 416 -5.087 -1.126 -0.849 1.00 12.21 H new ATOM 0 HB3 ALA A 416 -3.820 -0.016 -1.424 1.00 12.21 H new ATOM 887 N ILE A 417 -5.168 2.687 0.531 1.00 20.32 N ATOM 888 CA ILE A 417 -4.556 3.898 0.971 1.00 4.51 C ATOM 889 C ILE A 417 -3.482 3.592 2.020 1.00 22.12 C ATOM 890 O ILE A 417 -3.762 2.997 3.074 1.00 72.32 O ATOM 891 CB ILE A 417 -5.593 4.928 1.510 1.00 60.30 C ATOM 892 CG1 ILE A 417 -4.874 6.198 2.000 1.00 44.20 C ATOM 893 CG2 ILE A 417 -6.498 4.323 2.583 1.00 24.34 C ATOM 894 CD1 ILE A 417 -5.794 7.285 2.524 1.00 70.34 C ATOM 0 H ILE A 417 -5.663 2.180 1.265 1.00 20.32 H new ATOM 0 HA ILE A 417 -4.084 4.363 0.105 1.00 4.51 H new ATOM 0 HB ILE A 417 -6.252 5.211 0.689 1.00 60.30 H new ATOM 0 HG12 ILE A 417 -4.174 5.922 2.789 1.00 44.20 H new ATOM 0 HG13 ILE A 417 -4.284 6.605 1.179 1.00 44.20 H new ATOM 0 HG21 ILE A 417 -7.205 5.077 2.930 1.00 24.34 H new ATOM 0 HG22 ILE A 417 -7.045 3.478 2.164 1.00 24.34 H new ATOM 0 HG23 ILE A 417 -5.891 3.982 3.421 1.00 24.34 H new ATOM 0 HD11 ILE A 417 -5.200 8.140 2.846 1.00 70.34 H new ATOM 0 HD12 ILE A 417 -6.478 7.595 1.734 1.00 70.34 H new ATOM 0 HD13 ILE A 417 -6.366 6.901 3.369 1.00 70.34 H new ATOM 901 N VAL A 418 -2.277 3.975 1.720 1.00 2.52 N ATOM 902 CA VAL A 418 -1.152 3.761 2.596 1.00 1.02 C ATOM 903 C VAL A 418 -0.722 5.036 3.287 1.00 43.42 C ATOM 904 O VAL A 418 -0.500 6.077 2.646 1.00 74.43 O ATOM 905 CB VAL A 418 0.057 3.083 1.864 1.00 12.14 C ATOM 906 CG1 VAL A 418 1.351 3.298 2.604 1.00 44.23 C ATOM 907 CG2 VAL A 418 -0.158 1.595 1.776 1.00 25.11 C ATOM 0 H VAL A 418 -2.039 4.451 0.850 1.00 2.52 H new ATOM 0 HA VAL A 418 -1.494 3.067 3.364 1.00 1.02 H new ATOM 0 HB VAL A 418 0.117 3.537 0.875 1.00 12.14 H new ATOM 0 HG11 VAL A 418 2.164 2.813 2.064 1.00 44.23 H new ATOM 0 HG12 VAL A 418 1.553 4.366 2.681 1.00 44.23 H new ATOM 0 HG13 VAL A 418 1.274 2.871 3.604 1.00 44.23 H new ATOM 0 HG21 VAL A 418 0.688 1.135 1.266 1.00 25.11 H new ATOM 0 HG22 VAL A 418 -0.246 1.180 2.780 1.00 25.11 H new ATOM 0 HG23 VAL A 418 -1.072 1.392 1.218 1.00 25.11 H new ATOM 913 N THR A 419 -0.634 4.948 4.577 1.00 44.25 N ATOM 914 CA THR A 419 -0.132 5.996 5.392 1.00 3.53 C ATOM 915 C THR A 419 1.234 5.586 5.921 1.00 61.31 C ATOM 916 O THR A 419 1.359 4.608 6.666 1.00 75.21 O ATOM 917 CB THR A 419 -1.111 6.316 6.554 1.00 23.20 C ATOM 918 OG1 THR A 419 -1.601 5.089 7.152 1.00 34.04 O ATOM 919 CG2 THR A 419 -2.282 7.161 6.066 1.00 21.52 C ATOM 0 H THR A 419 -0.918 4.121 5.101 1.00 44.25 H new ATOM 0 HA THR A 419 -0.034 6.906 4.800 1.00 3.53 H new ATOM 0 HB THR A 419 -0.566 6.886 7.306 1.00 23.20 H new ATOM 0 HG1 THR A 419 -2.216 5.305 7.884 1.00 34.04 H new ATOM 0 HG21 THR A 419 -2.952 7.370 6.900 1.00 21.52 H new ATOM 0 HG22 THR A 419 -1.908 8.099 5.657 1.00 21.52 H new ATOM 0 HG23 THR A 419 -2.825 6.618 5.292 1.00 21.52 H new ATOM 925 N VAL A 420 2.250 6.299 5.508 1.00 41.05 N ATOM 926 CA VAL A 420 3.595 6.002 5.913 1.00 45.40 C ATOM 927 C VAL A 420 3.966 6.971 7.008 1.00 3.42 C ATOM 928 O VAL A 420 4.048 8.165 6.772 1.00 44.32 O ATOM 929 CB VAL A 420 4.592 6.170 4.730 1.00 71.05 C ATOM 930 CG1 VAL A 420 5.987 5.733 5.125 1.00 54.02 C ATOM 931 CG2 VAL A 420 4.125 5.428 3.486 1.00 41.53 C ATOM 0 H VAL A 420 2.166 7.100 4.882 1.00 41.05 H new ATOM 0 HA VAL A 420 3.649 4.968 6.255 1.00 45.40 H new ATOM 0 HB VAL A 420 4.624 7.232 4.485 1.00 71.05 H new ATOM 0 HG11 VAL A 420 6.662 5.862 4.279 1.00 54.02 H new ATOM 0 HG12 VAL A 420 6.335 6.339 5.962 1.00 54.02 H new ATOM 0 HG13 VAL A 420 5.970 4.684 5.419 1.00 54.02 H new ATOM 0 HG21 VAL A 420 4.849 5.571 2.684 1.00 41.53 H new ATOM 0 HG22 VAL A 420 4.035 4.365 3.709 1.00 41.53 H new ATOM 0 HG23 VAL A 420 3.156 5.816 3.173 1.00 41.53 H new ATOM 937 N GLU A 421 4.145 6.471 8.196 1.00 22.54 N ATOM 938 CA GLU A 421 4.456 7.318 9.322 1.00 63.45 C ATOM 939 C GLU A 421 5.884 7.072 9.805 1.00 30.12 C ATOM 940 O GLU A 421 6.635 6.307 9.195 1.00 4.15 O ATOM 941 CB GLU A 421 3.450 7.082 10.457 1.00 54.45 C ATOM 942 CG GLU A 421 2.001 7.324 10.055 1.00 12.11 C ATOM 943 CD GLU A 421 1.029 7.062 11.178 1.00 12.21 C ATOM 944 OE1 GLU A 421 0.751 5.882 11.472 1.00 52.11 O ATOM 945 OE2 GLU A 421 0.499 8.028 11.768 1.00 2.52 O ATOM 0 H GLU A 421 4.082 5.477 8.416 1.00 22.54 H new ATOM 0 HA GLU A 421 4.382 8.358 9.004 1.00 63.45 H new ATOM 0 HB2 GLU A 421 3.552 6.057 10.813 1.00 54.45 H new ATOM 0 HB3 GLU A 421 3.699 7.736 11.293 1.00 54.45 H new ATOM 0 HG2 GLU A 421 1.890 8.355 9.718 1.00 12.11 H new ATOM 0 HG3 GLU A 421 1.752 6.684 9.209 1.00 12.11 H new ATOM 952 N CYS A 422 6.234 7.724 10.884 1.00 24.25 N ATOM 953 CA CYS A 422 7.546 7.645 11.498 1.00 33.24 C ATOM 954 C CYS A 422 7.888 6.213 11.867 1.00 62.51 C ATOM 955 O CYS A 422 7.118 5.536 12.546 1.00 4.35 O ATOM 956 CB CYS A 422 7.535 8.521 12.758 1.00 41.04 C ATOM 957 SG CYS A 422 9.037 8.456 13.810 1.00 32.34 S ATOM 0 H CYS A 422 5.596 8.347 11.380 1.00 24.25 H new ATOM 0 HA CYS A 422 8.300 7.995 10.793 1.00 33.24 H new ATOM 0 HB2 CYS A 422 7.376 9.555 12.454 1.00 41.04 H new ATOM 0 HB3 CYS A 422 6.678 8.232 13.367 1.00 41.04 H new ATOM 962 N GLY A 423 9.042 5.764 11.438 1.00 12.31 N ATOM 963 CA GLY A 423 9.468 4.432 11.734 1.00 43.20 C ATOM 964 C GLY A 423 10.945 4.292 11.631 1.00 64.21 C ATOM 965 O GLY A 423 11.644 5.263 11.348 1.00 32.34 O ATOM 0 H GLY A 423 9.700 6.309 10.881 1.00 12.31 H new ATOM 0 HA2 GLY A 423 9.146 4.162 12.740 1.00 43.20 H new ATOM 0 HA3 GLY A 423 8.987 3.735 11.047 1.00 43.20 H new ATOM 969 N VAL A 424 11.420 3.100 11.841 1.00 13.31 N ATOM 970 CA VAL A 424 12.825 2.815 11.772 1.00 1.13 C ATOM 971 C VAL A 424 13.188 2.408 10.349 1.00 65.21 C ATOM 972 O VAL A 424 14.257 2.763 9.832 1.00 62.13 O ATOM 973 CB VAL A 424 13.200 1.672 12.756 1.00 63.14 C ATOM 974 CG1 VAL A 424 14.684 1.367 12.709 1.00 41.12 C ATOM 975 CG2 VAL A 424 12.779 2.029 14.171 1.00 43.43 C ATOM 0 H VAL A 424 10.840 2.292 12.067 1.00 13.31 H new ATOM 0 HA VAL A 424 13.381 3.710 12.053 1.00 1.13 H new ATOM 0 HB VAL A 424 12.663 0.776 12.444 1.00 63.14 H new ATOM 0 HG11 VAL A 424 14.913 0.563 13.409 1.00 41.12 H new ATOM 0 HG12 VAL A 424 14.961 1.060 11.700 1.00 41.12 H new ATOM 0 HG13 VAL A 424 15.248 2.259 12.984 1.00 41.12 H new ATOM 0 HG21 VAL A 424 13.049 1.218 14.847 1.00 43.43 H new ATOM 0 HG22 VAL A 424 13.285 2.943 14.481 1.00 43.43 H new ATOM 0 HG23 VAL A 424 11.700 2.183 14.202 1.00 43.43 H new ATOM 981 N GLU A 425 12.287 1.697 9.715 1.00 62.51 N ATOM 982 CA GLU A 425 12.484 1.196 8.382 1.00 1.23 C ATOM 983 C GLU A 425 11.143 1.105 7.694 1.00 61.04 C ATOM 984 O GLU A 425 10.107 0.990 8.352 1.00 14.32 O ATOM 985 CB GLU A 425 13.149 -0.184 8.448 1.00 11.22 C ATOM 986 CG GLU A 425 13.519 -0.774 7.104 1.00 44.35 C ATOM 987 CD GLU A 425 14.168 -2.124 7.232 1.00 75.42 C ATOM 988 OE1 GLU A 425 15.384 -2.186 7.549 1.00 22.30 O ATOM 989 OE2 GLU A 425 13.491 -3.142 7.024 1.00 30.41 O ATOM 0 H GLU A 425 11.384 1.448 10.119 1.00 62.51 H new ATOM 0 HA GLU A 425 13.132 1.867 7.818 1.00 1.23 H new ATOM 0 HB2 GLU A 425 14.050 -0.109 9.057 1.00 11.22 H new ATOM 0 HB3 GLU A 425 12.476 -0.872 8.959 1.00 11.22 H new ATOM 0 HG2 GLU A 425 12.623 -0.861 6.489 1.00 44.35 H new ATOM 0 HG3 GLU A 425 14.197 -0.095 6.586 1.00 44.35 H new ATOM 996 N ASN A 426 11.162 1.196 6.394 1.00 71.10 N ATOM 997 CA ASN A 426 9.967 1.086 5.596 1.00 40.54 C ATOM 998 C ASN A 426 9.452 -0.337 5.528 1.00 4.41 C ATOM 999 O ASN A 426 9.936 -1.159 4.758 1.00 12.23 O ATOM 1000 CB ASN A 426 10.132 1.731 4.213 1.00 64.01 C ATOM 1001 CG ASN A 426 11.518 1.543 3.641 1.00 52.22 C ATOM 1002 OD1 ASN A 426 12.375 2.411 3.800 1.00 20.11 O ATOM 1003 ND2 ASN A 426 11.776 0.423 3.068 1.00 21.30 N ATOM 0 H ASN A 426 12.012 1.350 5.851 1.00 71.10 H new ATOM 0 HA ASN A 426 9.193 1.660 6.105 1.00 40.54 H new ATOM 0 HB2 ASN A 426 9.400 1.303 3.528 1.00 64.01 H new ATOM 0 HB3 ASN A 426 9.915 2.797 4.286 1.00 64.01 H new ATOM 0 HD21 ASN A 426 12.718 0.230 2.727 1.00 21.30 H new ATOM 0 HD22 ASN A 426 11.039 -0.273 2.954 1.00 21.30 H new ATOM 1009 N GLU A 427 8.477 -0.595 6.361 1.00 2.51 N ATOM 1010 CA GLU A 427 7.870 -1.897 6.534 1.00 2.43 C ATOM 1011 C GLU A 427 6.348 -1.760 6.485 1.00 13.12 C ATOM 1012 O GLU A 427 5.805 -0.692 6.848 1.00 34.30 O ATOM 1013 CB GLU A 427 8.306 -2.470 7.897 1.00 23.42 C ATOM 1014 CG GLU A 427 7.755 -3.849 8.206 1.00 2.24 C ATOM 1015 CD GLU A 427 8.194 -4.875 7.199 1.00 43.34 C ATOM 1016 OE1 GLU A 427 7.586 -4.950 6.114 1.00 1.12 O ATOM 1017 OE2 GLU A 427 9.150 -5.627 7.484 1.00 44.13 O ATOM 0 H GLU A 427 8.066 0.120 6.961 1.00 2.51 H new ATOM 0 HA GLU A 427 8.189 -2.569 5.737 1.00 2.43 H new ATOM 0 HB2 GLU A 427 9.395 -2.513 7.927 1.00 23.42 H new ATOM 0 HB3 GLU A 427 7.992 -1.783 8.683 1.00 23.42 H new ATOM 0 HG2 GLU A 427 8.082 -4.155 9.200 1.00 2.24 H new ATOM 0 HG3 GLU A 427 6.666 -3.807 8.228 1.00 2.24 H new ATOM 1024 N ILE A 428 5.665 -2.803 6.019 1.00 23.31 N ATOM 1025 CA ILE A 428 4.219 -2.805 5.983 1.00 20.44 C ATOM 1026 C ILE A 428 3.758 -3.107 7.397 1.00 20.32 C ATOM 1027 O ILE A 428 4.063 -4.171 7.943 1.00 3.51 O ATOM 1028 CB ILE A 428 3.660 -3.925 5.062 1.00 31.01 C ATOM 1029 CG1 ILE A 428 4.340 -3.904 3.678 1.00 31.32 C ATOM 1030 CG2 ILE A 428 2.146 -3.743 4.908 1.00 72.33 C ATOM 1031 CD1 ILE A 428 4.076 -2.649 2.884 1.00 52.14 C ATOM 0 H ILE A 428 6.098 -3.655 5.662 1.00 23.31 H new ATOM 0 HA ILE A 428 3.868 -1.846 5.603 1.00 20.44 H new ATOM 0 HB ILE A 428 3.872 -4.891 5.521 1.00 31.01 H new ATOM 0 HG12 ILE A 428 5.416 -4.018 3.811 1.00 31.32 H new ATOM 0 HG13 ILE A 428 3.997 -4.764 3.103 1.00 31.32 H new ATOM 0 HG21 ILE A 428 1.749 -4.527 4.263 1.00 72.33 H new ATOM 0 HG22 ILE A 428 1.671 -3.804 5.887 1.00 72.33 H new ATOM 0 HG23 ILE A 428 1.940 -2.769 4.465 1.00 72.33 H new ATOM 0 HD11 ILE A 428 4.588 -2.711 1.924 1.00 52.14 H new ATOM 0 HD12 ILE A 428 3.004 -2.543 2.717 1.00 52.14 H new ATOM 0 HD13 ILE A 428 4.445 -1.785 3.436 1.00 52.14 H new ATOM 1038 N VAL A 429 3.056 -2.195 7.985 1.00 70.24 N ATOM 1039 CA VAL A 429 2.621 -2.339 9.356 1.00 43.12 C ATOM 1040 C VAL A 429 1.390 -3.211 9.471 1.00 5.54 C ATOM 1041 O VAL A 429 1.380 -4.189 10.232 1.00 41.15 O ATOM 1042 CB VAL A 429 2.345 -0.953 9.997 1.00 32.41 C ATOM 1043 CG1 VAL A 429 1.646 -1.081 11.339 1.00 13.34 C ATOM 1044 CG2 VAL A 429 3.639 -0.188 10.157 1.00 5.43 C ATOM 0 H VAL A 429 2.762 -1.326 7.539 1.00 70.24 H new ATOM 0 HA VAL A 429 3.432 -2.828 9.895 1.00 43.12 H new ATOM 0 HB VAL A 429 1.680 -0.406 9.328 1.00 32.41 H new ATOM 0 HG11 VAL A 429 1.471 -0.088 11.754 1.00 13.34 H new ATOM 0 HG12 VAL A 429 0.692 -1.592 11.205 1.00 13.34 H new ATOM 0 HG13 VAL A 429 2.272 -1.655 12.022 1.00 13.34 H new ATOM 0 HG21 VAL A 429 3.434 0.783 10.608 1.00 5.43 H new ATOM 0 HG22 VAL A 429 4.317 -0.750 10.799 1.00 5.43 H new ATOM 0 HG23 VAL A 429 4.100 -0.045 9.180 1.00 5.43 H new ATOM 1050 N SER A 430 0.389 -2.902 8.700 1.00 33.35 N ATOM 1051 CA SER A 430 -0.858 -3.588 8.800 1.00 42.11 C ATOM 1052 C SER A 430 -1.707 -3.251 7.599 1.00 71.53 C ATOM 1053 O SER A 430 -1.409 -2.296 6.871 1.00 74.13 O ATOM 1054 CB SER A 430 -1.578 -3.168 10.111 1.00 51.14 C ATOM 1055 OG SER A 430 -2.791 -3.885 10.314 1.00 43.14 O ATOM 0 H SER A 430 0.417 -2.171 7.989 1.00 33.35 H new ATOM 0 HA SER A 430 -0.690 -4.665 8.824 1.00 42.11 H new ATOM 0 HB2 SER A 430 -0.913 -3.336 10.958 1.00 51.14 H new ATOM 0 HB3 SER A 430 -1.791 -2.099 10.080 1.00 51.14 H new ATOM 0 HG SER A 430 -3.209 -3.591 11.150 1.00 43.14 H new ATOM 1061 N VAL A 431 -2.738 -4.026 7.401 1.00 63.13 N ATOM 1062 CA VAL A 431 -3.667 -3.840 6.338 1.00 53.02 C ATOM 1063 C VAL A 431 -5.054 -4.144 6.851 1.00 22.33 C ATOM 1064 O VAL A 431 -5.341 -5.247 7.333 1.00 51.10 O ATOM 1065 CB VAL A 431 -3.317 -4.669 5.061 1.00 24.35 C ATOM 1066 CG1 VAL A 431 -3.133 -6.130 5.371 1.00 34.52 C ATOM 1067 CG2 VAL A 431 -4.383 -4.495 3.999 1.00 62.12 C ATOM 0 H VAL A 431 -2.955 -4.825 7.996 1.00 63.13 H new ATOM 0 HA VAL A 431 -3.616 -2.801 6.014 1.00 53.02 H new ATOM 0 HB VAL A 431 -2.369 -4.286 4.682 1.00 24.35 H new ATOM 0 HG11 VAL A 431 -2.891 -6.669 4.455 1.00 34.52 H new ATOM 0 HG12 VAL A 431 -2.321 -6.250 6.088 1.00 34.52 H new ATOM 0 HG13 VAL A 431 -4.054 -6.531 5.795 1.00 34.52 H new ATOM 0 HG21 VAL A 431 -4.119 -5.081 3.119 1.00 62.12 H new ATOM 0 HG22 VAL A 431 -5.343 -4.836 4.387 1.00 62.12 H new ATOM 0 HG23 VAL A 431 -4.456 -3.442 3.726 1.00 62.12 H new ATOM 1073 N LEU A 432 -5.875 -3.175 6.796 1.00 0.31 N ATOM 1074 CA LEU A 432 -7.187 -3.271 7.313 1.00 1.40 C ATOM 1075 C LEU A 432 -8.154 -3.061 6.170 1.00 70.11 C ATOM 1076 O LEU A 432 -7.925 -2.199 5.323 1.00 32.12 O ATOM 1077 CB LEU A 432 -7.366 -2.214 8.400 1.00 63.25 C ATOM 1078 CG LEU A 432 -8.603 -2.324 9.268 1.00 1.41 C ATOM 1079 CD1 LEU A 432 -8.568 -3.629 10.045 1.00 31.32 C ATOM 1080 CD2 LEU A 432 -8.683 -1.141 10.218 1.00 20.30 C ATOM 0 H LEU A 432 -5.654 -2.269 6.382 1.00 0.31 H new ATOM 0 HA LEU A 432 -7.373 -4.248 7.758 1.00 1.40 H new ATOM 0 HB2 LEU A 432 -6.492 -2.245 9.050 1.00 63.25 H new ATOM 0 HB3 LEU A 432 -7.373 -1.234 7.922 1.00 63.25 H new ATOM 0 HG LEU A 432 -9.489 -2.315 8.633 1.00 1.41 H new ATOM 0 HD11 LEU A 432 -9.459 -3.705 10.668 1.00 31.32 H new ATOM 0 HD12 LEU A 432 -8.540 -4.467 9.348 1.00 31.32 H new ATOM 0 HD13 LEU A 432 -7.680 -3.653 10.677 1.00 31.32 H new ATOM 0 HD21 LEU A 432 -9.576 -1.231 10.837 1.00 20.30 H new ATOM 0 HD22 LEU A 432 -7.799 -1.126 10.856 1.00 20.30 H new ATOM 0 HD23 LEU A 432 -8.731 -0.216 9.644 1.00 20.30 H new ATOM 1088 N GLU A 433 -9.193 -3.843 6.103 1.00 55.12 N ATOM 1089 CA GLU A 433 -10.119 -3.734 5.005 1.00 33.25 C ATOM 1090 C GLU A 433 -11.071 -2.581 5.280 1.00 3.02 C ATOM 1091 O GLU A 433 -11.883 -2.635 6.211 1.00 64.11 O ATOM 1092 CB GLU A 433 -10.887 -5.049 4.823 1.00 45.13 C ATOM 1093 CG GLU A 433 -11.768 -5.103 3.584 1.00 33.51 C ATOM 1094 CD GLU A 433 -12.485 -6.426 3.447 1.00 55.21 C ATOM 1095 OE1 GLU A 433 -11.847 -7.421 3.049 1.00 52.22 O ATOM 1096 OE2 GLU A 433 -13.686 -6.497 3.766 1.00 61.24 O ATOM 0 H GLU A 433 -9.422 -4.561 6.790 1.00 55.12 H new ATOM 0 HA GLU A 433 -9.576 -3.538 4.080 1.00 33.25 H new ATOM 0 HB2 GLU A 433 -10.171 -5.869 4.779 1.00 45.13 H new ATOM 0 HB3 GLU A 433 -11.509 -5.216 5.702 1.00 45.13 H new ATOM 0 HG2 GLU A 433 -12.501 -4.298 3.627 1.00 33.51 H new ATOM 0 HG3 GLU A 433 -11.157 -4.930 2.698 1.00 33.51 H new ATOM 1103 N ALA A 434 -10.939 -1.533 4.483 1.00 43.12 N ATOM 1104 CA ALA A 434 -11.721 -0.325 4.644 1.00 75.21 C ATOM 1105 C ALA A 434 -13.142 -0.566 4.226 1.00 5.52 C ATOM 1106 O ALA A 434 -14.067 -0.330 4.987 1.00 31.24 O ATOM 1107 CB ALA A 434 -11.115 0.819 3.838 1.00 64.44 C ATOM 0 H ALA A 434 -10.282 -1.500 3.703 1.00 43.12 H new ATOM 0 HA ALA A 434 -11.710 -0.044 5.697 1.00 75.21 H new ATOM 0 HB1 ALA A 434 -11.717 1.718 3.972 1.00 64.44 H new ATOM 0 HB2 ALA A 434 -10.098 1.008 4.183 1.00 64.44 H new ATOM 0 HB3 ALA A 434 -11.096 0.550 2.782 1.00 64.44 H new ATOM 1113 N GLN A 435 -13.320 -1.046 3.020 1.00 61.35 N ATOM 1114 CA GLN A 435 -14.653 -1.329 2.553 1.00 2.22 C ATOM 1115 C GLN A 435 -14.757 -2.807 2.292 1.00 50.55 C ATOM 1116 O GLN A 435 -15.325 -3.563 3.079 1.00 22.35 O ATOM 1117 CB GLN A 435 -14.981 -0.606 1.232 1.00 60.13 C ATOM 1118 CG GLN A 435 -14.596 0.852 1.138 1.00 65.32 C ATOM 1119 CD GLN A 435 -15.160 1.733 2.225 1.00 23.34 C ATOM 1120 OE1 GLN A 435 -16.237 1.490 2.755 1.00 22.23 O ATOM 1121 NE2 GLN A 435 -14.426 2.752 2.570 1.00 44.04 N ATOM 0 H GLN A 435 -12.573 -1.246 2.355 1.00 61.35 H new ATOM 0 HA GLN A 435 -15.350 -0.986 3.318 1.00 2.22 H new ATOM 0 HB2 GLN A 435 -14.487 -1.141 0.421 1.00 60.13 H new ATOM 0 HB3 GLN A 435 -16.054 -0.686 1.059 1.00 60.13 H new ATOM 0 HG2 GLN A 435 -13.509 0.927 1.158 1.00 65.32 H new ATOM 0 HG3 GLN A 435 -14.924 1.237 0.173 1.00 65.32 H new ATOM 0 HE21 GLN A 435 -13.535 2.920 2.104 1.00 44.04 H new ATOM 0 HE22 GLN A 435 -14.743 3.382 3.307 1.00 44.04 H new ATOM 1129 N LYS A 436 -14.127 -3.211 1.198 1.00 31.21 N ATOM 1130 CA LYS A 436 -14.204 -4.551 0.680 1.00 65.23 C ATOM 1131 C LYS A 436 -13.081 -4.781 -0.332 1.00 31.01 C ATOM 1132 O LYS A 436 -12.305 -5.722 -0.219 1.00 63.35 O ATOM 1133 CB LYS A 436 -15.606 -4.748 0.074 1.00 42.40 C ATOM 1134 CG LYS A 436 -16.001 -3.681 -0.941 1.00 24.51 C ATOM 1135 CD LYS A 436 -17.475 -3.664 -1.149 1.00 14.32 C ATOM 1136 CE LYS A 436 -17.897 -2.566 -2.116 1.00 51.32 C ATOM 1137 NZ LYS A 436 -19.361 -2.558 -2.339 1.00 1.23 N ATOM 0 H LYS A 436 -13.537 -2.594 0.640 1.00 31.21 H new ATOM 0 HA LYS A 436 -14.065 -5.291 1.468 1.00 65.23 H new ATOM 0 HB2 LYS A 436 -15.648 -5.725 -0.407 1.00 42.40 H new ATOM 0 HB3 LYS A 436 -16.340 -4.757 0.880 1.00 42.40 H new ATOM 0 HG2 LYS A 436 -15.668 -2.703 -0.594 1.00 24.51 H new ATOM 0 HG3 LYS A 436 -15.498 -3.872 -1.889 1.00 24.51 H new ATOM 0 HD2 LYS A 436 -17.799 -4.631 -1.533 1.00 14.32 H new ATOM 0 HD3 LYS A 436 -17.975 -3.518 -0.192 1.00 14.32 H new ATOM 0 HE2 LYS A 436 -17.584 -1.598 -1.725 1.00 51.32 H new ATOM 0 HE3 LYS A 436 -17.386 -2.705 -3.068 1.00 51.32 H new ATOM 0 HZ1 LYS A 436 -19.658 -1.615 -2.661 1.00 1.23 H new ATOM 0 HZ2 LYS A 436 -19.606 -3.264 -3.063 1.00 1.23 H new ATOM 0 HZ3 LYS A 436 -19.849 -2.790 -1.450 1.00 1.23 H new ATOM 1151 N CYS A 437 -12.988 -3.881 -1.286 1.00 44.32 N ATOM 1152 CA CYS A 437 -11.960 -3.912 -2.319 1.00 20.44 C ATOM 1153 C CYS A 437 -10.898 -2.878 -1.996 1.00 22.14 C ATOM 1154 O CYS A 437 -9.847 -2.829 -2.606 1.00 61.30 O ATOM 1155 CB CYS A 437 -12.588 -3.546 -3.656 1.00 12.21 C ATOM 1156 SG CYS A 437 -13.946 -4.615 -4.199 1.00 52.13 S ATOM 0 H CYS A 437 -13.630 -3.093 -1.373 1.00 44.32 H new ATOM 0 HA CYS A 437 -11.519 -4.908 -2.364 1.00 20.44 H new ATOM 0 HB2 CYS A 437 -12.957 -2.522 -3.596 1.00 12.21 H new ATOM 0 HB3 CYS A 437 -11.810 -3.561 -4.419 1.00 12.21 H new ATOM 1161 N GLU A 438 -11.199 -2.081 -1.025 1.00 61.04 N ATOM 1162 CA GLU A 438 -10.375 -0.981 -0.608 1.00 71.01 C ATOM 1163 C GLU A 438 -9.839 -1.264 0.771 1.00 11.12 C ATOM 1164 O GLU A 438 -10.597 -1.676 1.670 1.00 41.22 O ATOM 1165 CB GLU A 438 -11.202 0.292 -0.612 1.00 1.31 C ATOM 1166 CG GLU A 438 -10.505 1.512 -0.030 1.00 21.14 C ATOM 1167 CD GLU A 438 -11.400 2.718 0.031 1.00 0.42 C ATOM 1168 OE1 GLU A 438 -11.441 3.490 -0.947 1.00 41.25 O ATOM 1169 OE2 GLU A 438 -12.078 2.917 1.060 1.00 53.14 O ATOM 0 H GLU A 438 -12.054 -2.176 -0.477 1.00 61.04 H new ATOM 0 HA GLU A 438 -9.536 -0.854 -1.293 1.00 71.01 H new ATOM 0 HB2 GLU A 438 -11.495 0.514 -1.638 1.00 1.31 H new ATOM 0 HB3 GLU A 438 -12.119 0.114 -0.051 1.00 1.31 H new ATOM 0 HG2 GLU A 438 -10.149 1.278 0.973 1.00 21.14 H new ATOM 0 HG3 GLU A 438 -9.628 1.746 -0.633 1.00 21.14 H new ATOM 1176 N TYR A 439 -8.559 -1.065 0.941 1.00 21.31 N ATOM 1177 CA TYR A 439 -7.890 -1.381 2.178 1.00 74.44 C ATOM 1178 C TYR A 439 -7.094 -0.183 2.675 1.00 32.32 C ATOM 1179 O TYR A 439 -6.642 0.642 1.886 1.00 60.13 O ATOM 1180 CB TYR A 439 -6.926 -2.553 1.924 1.00 2.11 C ATOM 1181 CG TYR A 439 -7.582 -3.717 1.219 1.00 41.11 C ATOM 1182 CD1 TYR A 439 -7.605 -3.779 -0.168 1.00 52.13 C ATOM 1183 CD2 TYR A 439 -8.195 -4.729 1.923 1.00 41.43 C ATOM 1184 CE1 TYR A 439 -8.217 -4.814 -0.823 1.00 11.12 C ATOM 1185 CE2 TYR A 439 -8.815 -5.778 1.270 1.00 65.11 C ATOM 1186 CZ TYR A 439 -8.822 -5.812 -0.104 1.00 5.11 C ATOM 1187 OH TYR A 439 -9.436 -6.850 -0.764 1.00 62.41 O ATOM 0 H TYR A 439 -7.947 -0.677 0.223 1.00 21.31 H new ATOM 0 HA TYR A 439 -8.632 -1.646 2.932 1.00 74.44 H new ATOM 0 HB2 TYR A 439 -6.085 -2.201 1.326 1.00 2.11 H new ATOM 0 HB3 TYR A 439 -6.520 -2.895 2.876 1.00 2.11 H new ATOM 0 HD1 TYR A 439 -7.131 -2.996 -0.741 1.00 52.13 H new ATOM 0 HD2 TYR A 439 -8.191 -4.703 3.003 1.00 41.43 H new ATOM 0 HE1 TYR A 439 -8.223 -4.844 -1.903 1.00 11.12 H new ATOM 0 HE2 TYR A 439 -9.291 -6.565 1.836 1.00 65.11 H new ATOM 0 HH TYR A 439 -10.408 -6.727 -0.735 1.00 62.41 H new ATOM 1197 N LEU A 440 -6.945 -0.075 3.968 1.00 64.43 N ATOM 1198 CA LEU A 440 -6.090 0.929 4.534 1.00 41.21 C ATOM 1199 C LEU A 440 -4.877 0.244 5.111 1.00 75.35 C ATOM 1200 O LEU A 440 -4.980 -0.624 5.986 1.00 42.20 O ATOM 1201 CB LEU A 440 -6.772 1.877 5.576 1.00 3.14 C ATOM 1202 CG LEU A 440 -7.382 1.278 6.858 1.00 15.14 C ATOM 1203 CD1 LEU A 440 -7.652 2.391 7.855 1.00 74.04 C ATOM 1204 CD2 LEU A 440 -8.693 0.580 6.562 1.00 1.54 C ATOM 0 H LEU A 440 -7.408 -0.674 4.651 1.00 64.43 H new ATOM 0 HA LEU A 440 -5.810 1.606 3.727 1.00 41.21 H new ATOM 0 HB2 LEU A 440 -6.030 2.615 5.881 1.00 3.14 H new ATOM 0 HB3 LEU A 440 -7.565 2.416 5.058 1.00 3.14 H new ATOM 0 HG LEU A 440 -6.674 0.555 7.264 1.00 15.14 H new ATOM 0 HD11 LEU A 440 -8.084 1.969 8.763 1.00 74.04 H new ATOM 0 HD12 LEU A 440 -6.717 2.896 8.098 1.00 74.04 H new ATOM 0 HD13 LEU A 440 -8.349 3.107 7.421 1.00 74.04 H new ATOM 0 HD21 LEU A 440 -9.101 0.167 7.484 1.00 1.54 H new ATOM 0 HD22 LEU A 440 -9.399 1.296 6.141 1.00 1.54 H new ATOM 0 HD23 LEU A 440 -8.523 -0.225 5.847 1.00 1.54 H new ATOM 1212 N ILE A 441 -3.751 0.601 4.603 1.00 4.41 N ATOM 1213 CA ILE A 441 -2.498 -0.011 4.959 1.00 4.02 C ATOM 1214 C ILE A 441 -1.603 1.019 5.625 1.00 71.15 C ATOM 1215 O ILE A 441 -1.554 2.176 5.204 1.00 12.31 O ATOM 1216 CB ILE A 441 -1.819 -0.579 3.682 1.00 54.00 C ATOM 1217 CG1 ILE A 441 -2.673 -1.699 3.078 1.00 43.34 C ATOM 1218 CG2 ILE A 441 -0.399 -1.078 3.965 1.00 22.21 C ATOM 1219 CD1 ILE A 441 -2.243 -2.143 1.700 1.00 32.11 C ATOM 0 H ILE A 441 -3.662 1.344 3.910 1.00 4.41 H new ATOM 0 HA ILE A 441 -2.671 -0.829 5.658 1.00 4.02 H new ATOM 0 HB ILE A 441 -1.740 0.235 2.961 1.00 54.00 H new ATOM 0 HG12 ILE A 441 -2.647 -2.559 3.747 1.00 43.34 H new ATOM 0 HG13 ILE A 441 -3.709 -1.363 3.031 1.00 43.34 H new ATOM 0 HG21 ILE A 441 0.040 -1.467 3.046 1.00 22.21 H new ATOM 0 HG22 ILE A 441 0.209 -0.253 4.337 1.00 22.21 H new ATOM 0 HG23 ILE A 441 -0.434 -1.869 4.714 1.00 22.21 H new ATOM 0 HD11 ILE A 441 -2.903 -2.938 1.351 1.00 32.11 H new ATOM 0 HD12 ILE A 441 -2.297 -1.299 1.012 1.00 32.11 H new ATOM 0 HD13 ILE A 441 -1.219 -2.513 1.740 1.00 32.11 H new ATOM 1226 N LYS A 442 -0.961 0.636 6.689 1.00 25.25 N ATOM 1227 CA LYS A 442 -0.065 1.517 7.361 1.00 34.12 C ATOM 1228 C LYS A 442 1.345 1.060 7.126 1.00 51.25 C ATOM 1229 O LYS A 442 1.609 -0.136 7.080 1.00 44.14 O ATOM 1230 CB LYS A 442 -0.371 1.575 8.856 1.00 62.22 C ATOM 1231 CG LYS A 442 0.532 2.527 9.636 1.00 12.52 C ATOM 1232 CD LYS A 442 0.186 2.552 11.113 1.00 5.23 C ATOM 1233 CE LYS A 442 -1.223 3.049 11.350 1.00 13.23 C ATOM 1234 NZ LYS A 442 -1.407 4.442 10.857 1.00 40.43 N ATOM 0 H LYS A 442 -1.045 -0.289 7.109 1.00 25.25 H new ATOM 0 HA LYS A 442 -0.191 2.524 6.962 1.00 34.12 H new ATOM 0 HB2 LYS A 442 -1.408 1.880 8.993 1.00 62.22 H new ATOM 0 HB3 LYS A 442 -0.275 0.574 9.276 1.00 62.22 H new ATOM 0 HG2 LYS A 442 1.572 2.225 9.512 1.00 12.52 H new ATOM 0 HG3 LYS A 442 0.441 3.532 9.225 1.00 12.52 H new ATOM 0 HD2 LYS A 442 0.293 1.550 11.529 1.00 5.23 H new ATOM 0 HD3 LYS A 442 0.892 3.193 11.641 1.00 5.23 H new ATOM 0 HE2 LYS A 442 -1.931 2.389 10.848 1.00 13.23 H new ATOM 0 HE3 LYS A 442 -1.449 3.007 12.416 1.00 13.23 H new ATOM 0 HZ1 LYS A 442 -2.087 4.939 11.467 1.00 40.43 H new ATOM 0 HZ2 LYS A 442 -0.495 4.941 10.877 1.00 40.43 H new ATOM 0 HZ3 LYS A 442 -1.768 4.420 9.882 1.00 40.43 H new ATOM 1248 N MET A 443 2.225 1.990 6.940 1.00 33.32 N ATOM 1249 CA MET A 443 3.616 1.720 6.756 1.00 43.10 C ATOM 1250 C MET A 443 4.383 2.693 7.576 1.00 31.35 C ATOM 1251 O MET A 443 3.814 3.660 8.096 1.00 12.32 O ATOM 1252 CB MET A 443 4.044 1.865 5.293 1.00 4.12 C ATOM 1253 CG MET A 443 3.437 0.862 4.334 1.00 20.10 C ATOM 1254 SD MET A 443 4.047 1.071 2.647 1.00 21.25 S ATOM 1255 CE MET A 443 5.810 0.844 2.882 1.00 23.11 C ATOM 0 H MET A 443 1.992 2.983 6.911 1.00 33.32 H new ATOM 0 HA MET A 443 3.811 0.691 7.057 1.00 43.10 H new ATOM 0 HB2 MET A 443 3.785 2.868 4.954 1.00 4.12 H new ATOM 0 HB3 MET A 443 5.129 1.781 5.240 1.00 4.12 H new ATOM 0 HG2 MET A 443 3.662 -0.148 4.677 1.00 20.10 H new ATOM 0 HG3 MET A 443 2.352 0.966 4.341 1.00 20.10 H new ATOM 0 HE1 MET A 443 6.272 0.574 1.932 1.00 23.11 H new ATOM 0 HE2 MET A 443 6.250 1.771 3.249 1.00 23.11 H new ATOM 0 HE3 MET A 443 5.981 0.049 3.608 1.00 23.11 H new ATOM 1265 N LYS A 444 5.636 2.459 7.722 1.00 71.01 N ATOM 1266 CA LYS A 444 6.482 3.369 8.427 1.00 1.35 C ATOM 1267 C LYS A 444 7.717 3.565 7.623 1.00 42.33 C ATOM 1268 O LYS A 444 7.995 2.776 6.735 1.00 21.52 O ATOM 1269 CB LYS A 444 6.854 2.857 9.814 1.00 4.32 C ATOM 1270 CG LYS A 444 5.693 2.559 10.707 1.00 35.01 C ATOM 1271 CD LYS A 444 5.047 3.834 11.116 1.00 2.24 C ATOM 1272 CE LYS A 444 3.826 3.617 11.954 1.00 51.21 C ATOM 1273 NZ LYS A 444 4.133 2.968 13.258 1.00 0.22 N ATOM 0 H LYS A 444 6.111 1.633 7.358 1.00 71.01 H new ATOM 0 HA LYS A 444 5.944 4.307 8.566 1.00 1.35 H new ATOM 0 HB2 LYS A 444 7.450 1.951 9.703 1.00 4.32 H new ATOM 0 HB3 LYS A 444 7.488 3.598 10.301 1.00 4.32 H new ATOM 0 HG2 LYS A 444 4.975 1.924 10.189 1.00 35.01 H new ATOM 0 HG3 LYS A 444 6.028 2.009 11.587 1.00 35.01 H new ATOM 0 HD2 LYS A 444 5.763 4.438 11.673 1.00 2.24 H new ATOM 0 HD3 LYS A 444 4.776 4.402 10.226 1.00 2.24 H new ATOM 0 HE2 LYS A 444 3.340 4.575 12.135 1.00 51.21 H new ATOM 0 HE3 LYS A 444 3.117 2.999 11.403 1.00 51.21 H new ATOM 0 HZ1 LYS A 444 3.276 2.948 13.846 1.00 0.22 H new ATOM 0 HZ2 LYS A 444 4.462 1.995 13.093 1.00 0.22 H new ATOM 0 HZ3 LYS A 444 4.876 3.506 13.747 1.00 0.22 H new ATOM 1287 N SER A 445 8.420 4.612 7.899 1.00 35.14 N ATOM 1288 CA SER A 445 9.667 4.904 7.234 1.00 71.42 C ATOM 1289 C SER A 445 10.430 5.929 8.067 1.00 21.10 C ATOM 1290 O SER A 445 9.813 6.786 8.715 1.00 15.01 O ATOM 1291 CB SER A 445 9.401 5.445 5.801 1.00 35.44 C ATOM 1292 OG SER A 445 10.611 5.675 5.081 1.00 21.02 O ATOM 0 H SER A 445 8.151 5.303 8.599 1.00 35.14 H new ATOM 0 HA SER A 445 10.262 3.995 7.139 1.00 71.42 H new ATOM 0 HB2 SER A 445 8.784 4.732 5.254 1.00 35.44 H new ATOM 0 HB3 SER A 445 8.835 6.374 5.864 1.00 35.44 H new ATOM 0 HG SER A 445 10.400 6.013 4.186 1.00 21.02 H new ATOM 1298 N PRO A 446 11.773 5.853 8.094 1.00 54.12 N ATOM 1299 CA PRO A 446 12.603 6.807 8.847 1.00 22.11 C ATOM 1300 C PRO A 446 12.474 8.232 8.299 1.00 43.45 C ATOM 1301 O PRO A 446 12.611 9.212 9.033 1.00 15.33 O ATOM 1302 CB PRO A 446 14.033 6.284 8.627 1.00 4.41 C ATOM 1303 CG PRO A 446 13.951 5.443 7.399 1.00 33.14 C ATOM 1304 CD PRO A 446 12.593 4.822 7.430 1.00 74.13 C ATOM 0 HA PRO A 446 12.312 6.867 9.896 1.00 22.11 H new ATOM 0 HB2 PRO A 446 14.738 7.105 8.497 1.00 4.41 H new ATOM 0 HB3 PRO A 446 14.376 5.702 9.482 1.00 4.41 H new ATOM 0 HG2 PRO A 446 14.086 6.046 6.501 1.00 33.14 H new ATOM 0 HG3 PRO A 446 14.731 4.681 7.392 1.00 33.14 H new ATOM 0 HD2 PRO A 446 12.228 4.599 6.427 1.00 74.13 H new ATOM 0 HD3 PRO A 446 12.590 3.884 7.986 1.00 74.13 H new ATOM 1312 N ALA A 447 12.166 8.334 7.017 1.00 41.44 N ATOM 1313 CA ALA A 447 12.032 9.619 6.351 1.00 44.52 C ATOM 1314 C ALA A 447 10.640 10.204 6.568 1.00 33.42 C ATOM 1315 O ALA A 447 10.387 11.395 6.297 1.00 14.22 O ATOM 1316 CB ALA A 447 12.326 9.469 4.870 1.00 13.01 C ATOM 0 H ALA A 447 12.002 7.531 6.410 1.00 41.44 H new ATOM 0 HA ALA A 447 12.755 10.310 6.784 1.00 44.52 H new ATOM 0 HB1 ALA A 447 12.223 10.437 4.379 1.00 13.01 H new ATOM 0 HB2 ALA A 447 13.343 9.100 4.736 1.00 13.01 H new ATOM 0 HB3 ALA A 447 11.623 8.762 4.429 1.00 13.01 H new ATOM 1322 N ALA A 448 9.745 9.377 7.074 1.00 23.31 N ATOM 1323 CA ALA A 448 8.367 9.772 7.302 1.00 62.02 C ATOM 1324 C ALA A 448 8.197 10.226 8.723 1.00 34.01 C ATOM 1325 O ALA A 448 7.089 10.416 9.206 1.00 34.20 O ATOM 1326 CB ALA A 448 7.443 8.612 7.030 1.00 41.45 C ATOM 0 H ALA A 448 9.952 8.414 7.338 1.00 23.31 H new ATOM 0 HA ALA A 448 8.119 10.591 6.627 1.00 62.02 H new ATOM 0 HB1 ALA A 448 6.412 8.920 7.204 1.00 41.45 H new ATOM 0 HB2 ALA A 448 7.556 8.292 5.994 1.00 41.45 H new ATOM 0 HB3 ALA A 448 7.692 7.785 7.695 1.00 41.45 H new ATOM 1332 N CYS A 449 9.290 10.406 9.387 1.00 74.51 N ATOM 1333 CA CYS A 449 9.262 10.814 10.739 1.00 15.31 C ATOM 1334 C CYS A 449 9.604 12.276 10.777 1.00 64.22 C ATOM 1335 O CYS A 449 10.647 12.684 10.279 1.00 40.40 O ATOM 1336 CB CYS A 449 10.270 10.001 11.544 1.00 51.33 C ATOM 1337 SG CYS A 449 10.075 10.136 13.341 1.00 55.14 S ATOM 0 H CYS A 449 10.225 10.273 9.001 1.00 74.51 H new ATOM 0 HA CYS A 449 8.277 10.650 11.177 1.00 15.31 H new ATOM 0 HB2 CYS A 449 10.183 8.952 11.259 1.00 51.33 H new ATOM 0 HB3 CYS A 449 11.276 10.323 11.275 1.00 51.33 H new ATOM 1342 N SER A 450 8.712 13.068 11.295 1.00 64.23 N ATOM 1343 CA SER A 450 8.899 14.490 11.356 1.00 23.12 C ATOM 1344 C SER A 450 8.173 15.032 12.571 1.00 32.23 C ATOM 1345 O SER A 450 8.799 15.127 13.640 1.00 37.95 O ATOM 1346 CB SER A 450 8.392 15.144 10.059 1.00 54.43 C ATOM 1347 OG SER A 450 9.090 14.608 8.933 1.00 11.32 O ATOM 1348 OXT SER A 450 6.963 15.313 12.475 1.00 37.95 O ATOM 0 H SER A 450 7.829 12.745 11.690 1.00 64.23 H new ATOM 0 HA SER A 450 9.959 14.725 11.451 1.00 23.12 H new ATOM 0 HB2 SER A 450 7.322 14.970 9.949 1.00 54.43 H new ATOM 0 HB3 SER A 450 8.537 16.223 10.106 1.00 54.43 H new ATOM 0 HG SER A 450 8.476 14.533 8.173 1.00 11.32 H new TER 1354 SER A 450