USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 718 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 374 TYR OH : rot 174:sc= -0.173 USER MOD Set 1.2: A 384 GLN : amide:sc= -0.719 K(o=-0.89,f=0.16) USER MOD Set 2.1: A 381 ASN : amide:sc= 0.862 K(o=-0.56,f=-2.6) USER MOD Set 2.2: A 391 ASN : amide:sc= -1.42! K(o=-0.56!,f=-2.6) USER MOD Set 3.1: A 365 THR OG1 : rot -59:sc= 1.18 USER MOD Set 3.2: A 426 ASN : amide:sc= 1 K(o=1.1,f=-1.8) USER MOD Set 3.3: A 443 MET CE :methyl 177:sc= -1.1 (180deg=-1.21) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ -168:sc= 0.201 (180deg=-0.413) USER MOD Single : A 363 MET CE :methyl -162:sc= -0.181 (180deg=-0.735) USER MOD Single : A 366 LYS NZ :NH3+ 169:sc=-0.00349 (180deg=-0.149) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot 180:sc= 0 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 386 SER OG : rot 72:sc= 1.28 USER MOD Single : A 394 SER OG : rot 180:sc=-0.000533 USER MOD Single : A 395 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 398 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.6) USER MOD Single : A 401 LYS NZ :NH3+ 134:sc= 1.32 (180deg=0.164) USER MOD Single : A 402 TYR OH : rot -137:sc= 0.263 USER MOD Single : A 404 ASN : amide:sc= -0.615 K(o=-0.62,f=0) USER MOD Single : A 406 GLN : amide:sc= -0.449 K(o=-0.45,f=-0.98) USER MOD Single : A 407 SER OG : rot 180:sc= 0.00851 USER MOD Single : A 410 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.3!) USER MOD Single : A 413 HIS : no HD1:sc=-0.000268 X(o=-0.00027,f=0) USER MOD Single : A 415 SER OG : rot 142:sc= 0.866 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= -0.108 USER MOD Single : A 435 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.078) USER MOD Single : A 436 LYS NZ :NH3+ 167:sc= -0.031 (180deg=-0.23) USER MOD Single : A 439 TYR OH : rot -107:sc= 1.25 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 SER OG : rot 180:sc= -0.181 USER MOD Single : A 450 SER OG : rot -70:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 2.325 0.306 -1.090 1.00 73.54 N ATOM 2 CA TYR A 357 3.312 1.383 -1.106 1.00 20.24 C ATOM 3 C TYR A 357 4.650 0.837 -1.548 1.00 22.25 C ATOM 4 O TYR A 357 5.135 -0.143 -0.979 1.00 10.32 O ATOM 5 CB TYR A 357 3.475 2.000 0.295 1.00 12.30 C ATOM 6 CG TYR A 357 2.214 2.582 0.885 1.00 3.32 C ATOM 7 CD1 TYR A 357 1.761 3.838 0.507 1.00 72.21 C ATOM 8 CD2 TYR A 357 1.481 1.877 1.827 1.00 52.45 C ATOM 9 CE1 TYR A 357 0.611 4.369 1.051 1.00 65.34 C ATOM 10 CE2 TYR A 357 0.334 2.399 2.375 1.00 63.22 C ATOM 11 CZ TYR A 357 -0.100 3.640 1.984 1.00 61.32 C ATOM 12 OH TYR A 357 -1.254 4.162 2.531 1.00 4.43 O ATOM 0 HA TYR A 357 2.965 2.151 -1.798 1.00 20.24 H new ATOM 0 HB2 TYR A 357 3.855 1.234 0.971 1.00 12.30 H new ATOM 0 HB3 TYR A 357 4.231 2.784 0.245 1.00 12.30 H new ATOM 0 HD1 TYR A 357 2.317 4.407 -0.223 1.00 72.21 H new ATOM 0 HD2 TYR A 357 1.818 0.899 2.136 1.00 52.45 H new ATOM 0 HE1 TYR A 357 0.269 5.348 0.750 1.00 65.34 H new ATOM 0 HE2 TYR A 357 -0.222 1.835 3.109 1.00 63.22 H new ATOM 0 HH TYR A 357 -1.632 3.522 3.169 1.00 4.43 H new ATOM 24 N ARG A 358 5.239 1.442 -2.556 1.00 52.33 N ATOM 25 CA ARG A 358 6.558 1.058 -3.008 1.00 25.32 C ATOM 26 C ARG A 358 7.519 2.175 -2.667 1.00 72.35 C ATOM 27 O ARG A 358 7.321 3.311 -3.118 1.00 21.01 O ATOM 28 CB ARG A 358 6.582 0.809 -4.516 1.00 4.15 C ATOM 29 CG ARG A 358 7.939 0.355 -5.021 1.00 51.41 C ATOM 30 CD ARG A 358 7.975 0.224 -6.525 1.00 4.21 C ATOM 31 NE ARG A 358 9.286 -0.250 -6.982 1.00 31.12 N ATOM 32 CZ ARG A 358 9.877 0.091 -8.134 1.00 63.23 C ATOM 33 NH1 ARG A 358 9.267 0.906 -8.990 1.00 12.00 N ATOM 34 NH2 ARG A 358 11.074 -0.401 -8.431 1.00 23.12 N ATOM 0 H ARG A 358 4.821 2.209 -3.082 1.00 52.33 H new ATOM 0 HA ARG A 358 6.846 0.130 -2.513 1.00 25.32 H new ATOM 0 HB2 ARG A 358 5.836 0.054 -4.766 1.00 4.15 H new ATOM 0 HB3 ARG A 358 6.295 1.724 -5.034 1.00 4.15 H new ATOM 0 HG2 ARG A 358 8.700 1.067 -4.702 1.00 51.41 H new ATOM 0 HG3 ARG A 358 8.191 -0.604 -4.569 1.00 51.41 H new ATOM 0 HD2 ARG A 358 7.200 -0.469 -6.852 1.00 4.21 H new ATOM 0 HD3 ARG A 358 7.754 1.188 -6.983 1.00 4.21 H new ATOM 0 HE ARG A 358 9.789 -0.893 -6.371 1.00 31.12 H new ATOM 0 HH11 ARG A 358 8.342 1.276 -8.771 1.00 12.00 H new ATOM 0 HH12 ARG A 358 9.724 1.161 -9.865 1.00 12.00 H new ATOM 0 HH21 ARG A 358 11.540 -1.036 -7.783 1.00 23.12 H new ATOM 0 HH22 ARG A 358 11.528 -0.144 -9.308 1.00 23.12 H new ATOM 48 N ALA A 359 8.533 1.861 -1.858 1.00 61.52 N ATOM 49 CA ALA A 359 9.533 2.834 -1.407 1.00 12.23 C ATOM 50 C ALA A 359 8.857 3.963 -0.621 1.00 62.11 C ATOM 51 O ALA A 359 7.705 3.826 -0.176 1.00 61.13 O ATOM 52 CB ALA A 359 10.331 3.388 -2.600 1.00 61.51 C ATOM 0 H ALA A 359 8.685 0.920 -1.495 1.00 61.52 H new ATOM 0 HA ALA A 359 10.236 2.330 -0.744 1.00 12.23 H new ATOM 0 HB1 ALA A 359 11.067 4.108 -2.242 1.00 61.51 H new ATOM 0 HB2 ALA A 359 10.841 2.570 -3.108 1.00 61.51 H new ATOM 0 HB3 ALA A 359 9.651 3.880 -3.296 1.00 61.51 H new ATOM 58 N ILE A 360 9.558 5.034 -0.411 1.00 70.40 N ATOM 59 CA ILE A 360 9.005 6.172 0.274 1.00 10.53 C ATOM 60 C ILE A 360 8.958 7.322 -0.705 1.00 71.03 C ATOM 61 O ILE A 360 9.977 7.712 -1.265 1.00 5.21 O ATOM 62 CB ILE A 360 9.848 6.559 1.522 1.00 51.43 C ATOM 63 CG1 ILE A 360 9.905 5.381 2.510 1.00 63.11 C ATOM 64 CG2 ILE A 360 9.271 7.801 2.200 1.00 65.11 C ATOM 65 CD1 ILE A 360 10.733 5.651 3.751 1.00 11.03 C ATOM 0 H ILE A 360 10.527 5.149 -0.707 1.00 70.40 H new ATOM 0 HA ILE A 360 8.005 5.927 0.633 1.00 10.53 H new ATOM 0 HB ILE A 360 10.862 6.791 1.197 1.00 51.43 H new ATOM 0 HG12 ILE A 360 8.889 5.126 2.813 1.00 63.11 H new ATOM 0 HG13 ILE A 360 10.313 4.510 1.997 1.00 63.11 H new ATOM 0 HG21 ILE A 360 9.876 8.054 3.071 1.00 65.11 H new ATOM 0 HG22 ILE A 360 9.278 8.635 1.498 1.00 65.11 H new ATOM 0 HG23 ILE A 360 8.247 7.601 2.515 1.00 65.11 H new ATOM 0 HD11 ILE A 360 10.722 4.771 4.395 1.00 11.03 H new ATOM 0 HD12 ILE A 360 11.760 5.876 3.462 1.00 11.03 H new ATOM 0 HD13 ILE A 360 10.314 6.501 4.290 1.00 11.03 H new ATOM 77 N LYS A 361 7.798 7.844 -0.947 1.00 51.12 N ATOM 78 CA LYS A 361 7.683 8.907 -1.904 1.00 21.34 C ATOM 79 C LYS A 361 7.744 10.233 -1.168 1.00 4.34 C ATOM 80 O LYS A 361 6.917 10.500 -0.282 1.00 23.03 O ATOM 81 CB LYS A 361 6.359 8.775 -2.668 1.00 53.53 C ATOM 82 CG LYS A 361 6.097 7.356 -3.188 1.00 43.32 C ATOM 83 CD LYS A 361 4.824 7.247 -4.030 1.00 75.34 C ATOM 84 CE LYS A 361 5.029 7.622 -5.504 1.00 33.41 C ATOM 85 NZ LYS A 361 5.561 8.981 -5.725 1.00 72.43 N ATOM 0 H LYS A 361 6.925 7.559 -0.504 1.00 51.12 H new ATOM 0 HA LYS A 361 8.500 8.855 -2.624 1.00 21.34 H new ATOM 0 HB2 LYS A 361 5.539 9.072 -2.014 1.00 53.53 H new ATOM 0 HB3 LYS A 361 6.362 9.468 -3.509 1.00 53.53 H new ATOM 0 HG2 LYS A 361 6.949 7.032 -3.786 1.00 43.32 H new ATOM 0 HG3 LYS A 361 6.024 6.674 -2.341 1.00 43.32 H new ATOM 0 HD2 LYS A 361 4.447 6.226 -3.973 1.00 75.34 H new ATOM 0 HD3 LYS A 361 4.059 7.894 -3.602 1.00 75.34 H new ATOM 0 HE2 LYS A 361 5.710 6.902 -5.957 1.00 33.41 H new ATOM 0 HE3 LYS A 361 4.076 7.530 -6.024 1.00 33.41 H new ATOM 0 HZ1 LYS A 361 5.478 9.227 -6.732 1.00 72.43 H new ATOM 0 HZ2 LYS A 361 5.019 9.663 -5.157 1.00 72.43 H new ATOM 0 HZ3 LYS A 361 6.561 9.013 -5.442 1.00 72.43 H new ATOM 99 N GLY A 362 8.719 11.057 -1.499 1.00 45.32 N ATOM 100 CA GLY A 362 8.827 12.329 -0.838 1.00 71.24 C ATOM 101 C GLY A 362 8.600 13.497 -1.765 1.00 41.02 C ATOM 102 O GLY A 362 7.576 14.177 -1.668 1.00 41.34 O ATOM 0 H GLY A 362 9.430 10.869 -2.206 1.00 45.32 H new ATOM 0 HA2 GLY A 362 8.103 12.372 -0.025 1.00 71.24 H new ATOM 0 HA3 GLY A 362 9.816 12.416 -0.389 1.00 71.24 H new ATOM 106 N MET A 363 9.534 13.679 -2.707 1.00 0.12 N ATOM 107 CA MET A 363 9.584 14.852 -3.612 1.00 43.42 C ATOM 108 C MET A 363 9.924 16.054 -2.782 1.00 32.21 C ATOM 109 O MET A 363 9.046 16.787 -2.340 1.00 71.31 O ATOM 110 CB MET A 363 8.279 15.114 -4.407 1.00 34.54 C ATOM 111 CG MET A 363 7.786 13.969 -5.274 1.00 64.44 C ATOM 112 SD MET A 363 6.310 14.422 -6.222 1.00 62.01 S ATOM 113 CE MET A 363 5.184 14.928 -4.917 1.00 14.03 C ATOM 0 H MET A 363 10.289 13.012 -2.870 1.00 0.12 H new ATOM 0 HA MET A 363 10.339 14.643 -4.370 1.00 43.42 H new ATOM 0 HB2 MET A 363 7.492 15.372 -3.699 1.00 34.54 H new ATOM 0 HB3 MET A 363 8.434 15.985 -5.044 1.00 34.54 H new ATOM 0 HG2 MET A 363 8.578 13.666 -5.959 1.00 64.44 H new ATOM 0 HG3 MET A 363 7.562 13.108 -4.644 1.00 64.44 H new ATOM 0 HE1 MET A 363 4.162 14.925 -5.297 1.00 14.03 H new ATOM 0 HE2 MET A 363 5.262 14.234 -4.080 1.00 14.03 H new ATOM 0 HE3 MET A 363 5.444 15.932 -4.581 1.00 14.03 H new ATOM 123 N GLU A 364 11.188 16.221 -2.518 1.00 54.43 N ATOM 124 CA GLU A 364 11.617 17.243 -1.600 1.00 75.55 C ATOM 125 C GLU A 364 12.151 18.473 -2.293 1.00 12.41 C ATOM 126 O GLU A 364 11.621 19.568 -2.125 1.00 34.15 O ATOM 127 CB GLU A 364 12.660 16.686 -0.627 1.00 32.44 C ATOM 128 CG GLU A 364 12.144 15.565 0.270 1.00 11.00 C ATOM 129 CD GLU A 364 11.007 16.015 1.162 1.00 74.12 C ATOM 130 OE1 GLU A 364 11.276 16.669 2.192 1.00 14.40 O ATOM 131 OE2 GLU A 364 9.836 15.712 0.864 1.00 34.42 O ATOM 0 H GLU A 364 11.941 15.665 -2.923 1.00 54.43 H new ATOM 0 HA GLU A 364 10.732 17.554 -1.045 1.00 75.55 H new ATOM 0 HB2 GLU A 364 13.512 16.316 -1.198 1.00 32.44 H new ATOM 0 HB3 GLU A 364 13.026 17.499 0.000 1.00 32.44 H new ATOM 0 HG2 GLU A 364 11.808 14.733 -0.350 1.00 11.00 H new ATOM 0 HG3 GLU A 364 12.961 15.193 0.888 1.00 11.00 H new ATOM 138 N THR A 365 13.178 18.307 -3.066 1.00 61.11 N ATOM 139 CA THR A 365 13.841 19.436 -3.640 1.00 33.42 C ATOM 140 C THR A 365 13.844 19.346 -5.165 1.00 1.21 C ATOM 141 O THR A 365 13.814 18.240 -5.731 1.00 74.54 O ATOM 142 CB THR A 365 15.288 19.473 -3.126 1.00 12.10 C ATOM 143 OG1 THR A 365 15.284 19.138 -1.735 1.00 61.31 O ATOM 144 CG2 THR A 365 15.862 20.871 -3.257 1.00 10.43 C ATOM 0 H THR A 365 13.576 17.401 -3.314 1.00 61.11 H new ATOM 0 HA THR A 365 13.312 20.344 -3.351 1.00 33.42 H new ATOM 0 HB THR A 365 15.886 18.772 -3.708 1.00 12.10 H new ATOM 0 HG1 THR A 365 14.729 19.780 -1.245 1.00 61.31 H new ATOM 0 HG21 THR A 365 16.888 20.879 -2.888 1.00 10.43 H new ATOM 0 HG22 THR A 365 15.851 21.172 -4.304 1.00 10.43 H new ATOM 0 HG23 THR A 365 15.261 21.567 -2.673 1.00 10.43 H new ATOM 152 N LYS A 366 13.857 20.493 -5.819 1.00 1.32 N ATOM 153 CA LYS A 366 13.945 20.568 -7.242 1.00 43.03 C ATOM 154 C LYS A 366 14.802 21.749 -7.640 1.00 21.01 C ATOM 155 O LYS A 366 14.765 22.798 -6.988 1.00 22.00 O ATOM 156 CB LYS A 366 12.547 20.524 -7.942 1.00 22.02 C ATOM 157 CG LYS A 366 11.472 21.494 -7.449 1.00 63.03 C ATOM 158 CD LYS A 366 11.795 22.945 -7.727 1.00 70.31 C ATOM 159 CE LYS A 366 10.636 23.836 -7.349 1.00 74.52 C ATOM 160 NZ LYS A 366 10.291 23.734 -5.913 1.00 41.42 N ATOM 0 H LYS A 366 13.806 21.402 -5.359 1.00 1.32 H new ATOM 0 HA LYS A 366 14.443 19.671 -7.609 1.00 43.03 H new ATOM 0 HB2 LYS A 366 12.699 20.705 -9.006 1.00 22.02 H new ATOM 0 HB3 LYS A 366 12.155 19.512 -7.844 1.00 22.02 H new ATOM 0 HG2 LYS A 366 10.523 21.244 -7.924 1.00 63.03 H new ATOM 0 HG3 LYS A 366 11.337 21.359 -6.376 1.00 63.03 H new ATOM 0 HD2 LYS A 366 12.683 23.238 -7.166 1.00 70.31 H new ATOM 0 HD3 LYS A 366 12.029 23.074 -8.784 1.00 70.31 H new ATOM 0 HE2 LYS A 366 10.883 24.870 -7.588 1.00 74.52 H new ATOM 0 HE3 LYS A 366 9.766 23.570 -7.949 1.00 74.52 H new ATOM 0 HZ1 LYS A 366 9.623 24.490 -5.662 1.00 41.42 H new ATOM 0 HZ2 LYS A 366 9.853 22.809 -5.726 1.00 41.42 H new ATOM 0 HZ3 LYS A 366 11.154 23.831 -5.341 1.00 41.42 H new ATOM 174 N ARG A 367 15.599 21.575 -8.648 1.00 13.30 N ATOM 175 CA ARG A 367 16.511 22.607 -9.076 1.00 63.34 C ATOM 176 C ARG A 367 16.721 22.441 -10.561 1.00 55.41 C ATOM 177 O ARG A 367 16.781 21.328 -11.043 1.00 54.22 O ATOM 178 CB ARG A 367 17.848 22.412 -8.358 1.00 24.23 C ATOM 179 CG ARG A 367 18.779 23.593 -8.422 1.00 14.33 C ATOM 180 CD ARG A 367 18.255 24.703 -7.547 1.00 70.43 C ATOM 181 NE ARG A 367 19.071 25.922 -7.640 1.00 31.13 N ATOM 182 CZ ARG A 367 18.728 27.109 -7.124 1.00 42.33 C ATOM 183 NH1 ARG A 367 17.577 27.248 -6.460 1.00 42.03 N ATOM 184 NH2 ARG A 367 19.528 28.154 -7.279 1.00 75.23 N ATOM 0 H ARG A 367 15.641 20.719 -9.200 1.00 13.30 H new ATOM 0 HA ARG A 367 16.116 23.597 -8.849 1.00 63.34 H new ATOM 0 HB2 ARG A 367 17.651 22.179 -7.312 1.00 24.23 H new ATOM 0 HB3 ARG A 367 18.352 21.547 -8.788 1.00 24.23 H new ATOM 0 HG2 ARG A 367 19.777 23.300 -8.095 1.00 14.33 H new ATOM 0 HG3 ARG A 367 18.870 23.941 -9.451 1.00 14.33 H new ATOM 0 HD2 ARG A 367 17.229 24.933 -7.833 1.00 70.43 H new ATOM 0 HD3 ARG A 367 18.229 24.364 -6.511 1.00 70.43 H new ATOM 0 HE ARG A 367 19.962 25.859 -8.133 1.00 31.13 H new ATOM 0 HH11 ARG A 367 16.955 26.448 -6.344 1.00 42.03 H new ATOM 0 HH12 ARG A 367 17.320 28.154 -6.069 1.00 42.03 H new ATOM 0 HH21 ARG A 367 20.404 28.054 -7.791 1.00 75.23 H new ATOM 0 HH22 ARG A 367 19.267 29.059 -6.886 1.00 75.23 H new ATOM 198 N GLU A 368 16.843 23.502 -11.280 1.00 11.21 N ATOM 199 CA GLU A 368 17.004 23.389 -12.696 1.00 21.21 C ATOM 200 C GLU A 368 18.438 23.652 -13.064 1.00 31.05 C ATOM 201 O GLU A 368 18.925 24.776 -12.943 1.00 52.22 O ATOM 202 CB GLU A 368 16.061 24.348 -13.448 1.00 42.13 C ATOM 203 CG GLU A 368 16.132 24.216 -14.968 1.00 15.43 C ATOM 204 CD GLU A 368 15.239 25.194 -15.690 1.00 74.22 C ATOM 205 OE1 GLU A 368 14.049 24.907 -15.879 1.00 73.45 O ATOM 206 OE2 GLU A 368 15.721 26.265 -16.089 1.00 24.30 O ATOM 0 H GLU A 368 16.835 24.456 -10.918 1.00 11.21 H new ATOM 0 HA GLU A 368 16.739 22.375 -12.994 1.00 21.21 H new ATOM 0 HB2 GLU A 368 15.037 24.164 -13.124 1.00 42.13 H new ATOM 0 HB3 GLU A 368 16.304 25.374 -13.170 1.00 42.13 H new ATOM 0 HG2 GLU A 368 17.162 24.366 -15.292 1.00 15.43 H new ATOM 0 HG3 GLU A 368 15.853 23.201 -15.252 1.00 15.43 H new ATOM 213 N ILE A 369 19.115 22.627 -13.495 1.00 1.02 N ATOM 214 CA ILE A 369 20.473 22.776 -13.926 1.00 14.44 C ATOM 215 C ILE A 369 20.489 22.840 -15.439 1.00 20.24 C ATOM 216 O ILE A 369 19.867 21.996 -16.114 1.00 13.34 O ATOM 217 CB ILE A 369 21.435 21.648 -13.383 1.00 2.22 C ATOM 218 CG1 ILE A 369 21.640 21.741 -11.842 1.00 32.15 C ATOM 219 CG2 ILE A 369 22.788 21.664 -14.094 1.00 63.51 C ATOM 220 CD1 ILE A 369 20.444 21.392 -10.987 1.00 33.10 C ATOM 0 H ILE A 369 18.747 21.678 -13.557 1.00 1.02 H new ATOM 0 HA ILE A 369 20.864 23.702 -13.504 1.00 14.44 H new ATOM 0 HB ILE A 369 20.943 20.700 -13.601 1.00 2.22 H new ATOM 0 HG12 ILE A 369 22.463 21.082 -11.566 1.00 32.15 H new ATOM 0 HG13 ILE A 369 21.950 22.757 -11.598 1.00 32.15 H new ATOM 0 HG21 ILE A 369 23.420 20.873 -13.691 1.00 63.51 H new ATOM 0 HG22 ILE A 369 22.640 21.502 -15.162 1.00 63.51 H new ATOM 0 HG23 ILE A 369 23.270 22.629 -13.937 1.00 63.51 H new ATOM 0 HD11 ILE A 369 20.707 21.493 -9.934 1.00 33.10 H new ATOM 0 HD12 ILE A 369 19.620 22.066 -11.221 1.00 33.10 H new ATOM 0 HD13 ILE A 369 20.141 20.365 -11.188 1.00 33.10 H new ATOM 232 N GLY A 370 21.188 23.836 -15.966 1.00 62.51 N ATOM 233 CA GLY A 370 21.201 24.099 -17.383 1.00 11.40 C ATOM 234 C GLY A 370 19.822 24.472 -17.886 1.00 24.30 C ATOM 235 O GLY A 370 19.433 25.646 -17.851 1.00 60.12 O ATOM 0 H GLY A 370 21.759 24.479 -15.417 1.00 62.51 H new ATOM 0 HA2 GLY A 370 21.900 24.907 -17.599 1.00 11.40 H new ATOM 0 HA3 GLY A 370 21.559 23.218 -17.915 1.00 11.40 H new ATOM 239 N GLY A 371 19.081 23.491 -18.305 1.00 55.13 N ATOM 240 CA GLY A 371 17.750 23.713 -18.802 1.00 23.34 C ATOM 241 C GLY A 371 16.856 22.556 -18.459 1.00 61.54 C ATOM 242 O GLY A 371 15.770 22.391 -19.019 1.00 52.54 O ATOM 0 H GLY A 371 19.378 22.515 -18.314 1.00 55.13 H new ATOM 0 HA2 GLY A 371 17.345 24.631 -18.375 1.00 23.34 H new ATOM 0 HA3 GLY A 371 17.778 23.849 -19.883 1.00 23.34 H new ATOM 246 N TYR A 372 17.313 21.745 -17.544 1.00 41.14 N ATOM 247 CA TYR A 372 16.592 20.581 -17.125 1.00 0.53 C ATOM 248 C TYR A 372 16.400 20.536 -15.622 1.00 14.40 C ATOM 249 O TYR A 372 17.322 20.794 -14.850 1.00 61.44 O ATOM 250 CB TYR A 372 17.154 19.290 -17.747 1.00 2.20 C ATOM 251 CG TYR A 372 18.662 19.228 -17.856 1.00 13.02 C ATOM 252 CD1 TYR A 372 19.312 19.694 -19.000 1.00 55.43 C ATOM 253 CD2 TYR A 372 19.425 18.701 -16.854 1.00 72.25 C ATOM 254 CE1 TYR A 372 20.685 19.631 -19.122 1.00 23.00 C ATOM 255 CE2 TYR A 372 20.801 18.628 -16.968 1.00 53.42 C ATOM 256 CZ TYR A 372 21.423 19.092 -18.100 1.00 51.44 C ATOM 257 OH TYR A 372 22.798 18.994 -18.210 1.00 74.04 O ATOM 0 H TYR A 372 18.204 21.877 -17.066 1.00 41.14 H new ATOM 0 HA TYR A 372 15.581 20.657 -17.527 1.00 0.53 H new ATOM 0 HB2 TYR A 372 16.814 18.442 -17.153 1.00 2.20 H new ATOM 0 HB3 TYR A 372 16.729 19.172 -18.744 1.00 2.20 H new ATOM 0 HD1 TYR A 372 18.728 20.113 -19.806 1.00 55.43 H new ATOM 0 HD2 TYR A 372 18.946 18.335 -15.958 1.00 72.25 H new ATOM 0 HE1 TYR A 372 21.172 20.002 -20.012 1.00 23.00 H new ATOM 0 HE2 TYR A 372 21.387 18.205 -16.165 1.00 53.42 H new ATOM 0 HH TYR A 372 23.163 18.590 -17.396 1.00 74.04 H new ATOM 267 N THR A 373 15.198 20.215 -15.219 1.00 71.34 N ATOM 268 CA THR A 373 14.790 20.317 -13.843 1.00 43.52 C ATOM 269 C THR A 373 15.053 19.028 -13.080 1.00 73.45 C ATOM 270 O THR A 373 14.440 18.010 -13.337 1.00 63.03 O ATOM 271 CB THR A 373 13.289 20.672 -13.756 1.00 30.42 C ATOM 272 OG1 THR A 373 13.031 21.840 -14.560 1.00 34.20 O ATOM 273 CG2 THR A 373 12.878 20.965 -12.313 1.00 31.33 C ATOM 0 H THR A 373 14.468 19.872 -15.843 1.00 71.34 H new ATOM 0 HA THR A 373 15.382 21.109 -13.385 1.00 43.52 H new ATOM 0 HB THR A 373 12.712 19.821 -14.119 1.00 30.42 H new ATOM 0 HG1 THR A 373 12.079 22.068 -14.509 1.00 34.20 H new ATOM 0 HG21 THR A 373 11.817 21.212 -12.280 1.00 31.33 H new ATOM 0 HG22 THR A 373 13.065 20.086 -11.696 1.00 31.33 H new ATOM 0 HG23 THR A 373 13.458 21.806 -11.933 1.00 31.33 H new ATOM 281 N TYR A 374 15.929 19.099 -12.146 1.00 60.21 N ATOM 282 CA TYR A 374 16.256 17.986 -11.323 1.00 61.53 C ATOM 283 C TYR A 374 15.296 17.915 -10.174 1.00 25.34 C ATOM 284 O TYR A 374 15.116 18.889 -9.451 1.00 50.30 O ATOM 285 CB TYR A 374 17.690 18.113 -10.806 1.00 74.14 C ATOM 286 CG TYR A 374 18.755 17.763 -11.806 1.00 24.15 C ATOM 287 CD1 TYR A 374 19.141 18.647 -12.791 1.00 33.55 C ATOM 288 CD2 TYR A 374 19.378 16.530 -11.752 1.00 52.21 C ATOM 289 CE1 TYR A 374 20.120 18.307 -13.692 1.00 74.04 C ATOM 290 CE2 TYR A 374 20.357 16.188 -12.650 1.00 12.04 C ATOM 291 CZ TYR A 374 20.724 17.075 -13.614 1.00 50.04 C ATOM 292 OH TYR A 374 21.705 16.730 -14.516 1.00 13.35 O ATOM 0 H TYR A 374 16.451 19.947 -11.925 1.00 60.21 H new ATOM 0 HA TYR A 374 16.181 17.071 -11.911 1.00 61.53 H new ATOM 0 HB2 TYR A 374 17.850 19.137 -10.469 1.00 74.14 H new ATOM 0 HB3 TYR A 374 17.805 17.469 -9.934 1.00 74.14 H new ATOM 0 HD1 TYR A 374 18.669 19.616 -12.855 1.00 33.55 H new ATOM 0 HD2 TYR A 374 19.089 15.823 -10.989 1.00 52.21 H new ATOM 0 HE1 TYR A 374 20.415 19.006 -14.460 1.00 74.04 H new ATOM 0 HE2 TYR A 374 20.833 15.221 -12.592 1.00 12.04 H new ATOM 0 HH TYR A 374 22.089 15.864 -14.266 1.00 13.35 H new ATOM 302 N LYS A 375 14.670 16.783 -10.023 1.00 51.11 N ATOM 303 CA LYS A 375 13.726 16.571 -8.959 1.00 33.25 C ATOM 304 C LYS A 375 14.252 15.462 -8.101 1.00 70.54 C ATOM 305 O LYS A 375 14.492 14.365 -8.597 1.00 54.30 O ATOM 306 CB LYS A 375 12.384 16.097 -9.538 1.00 65.21 C ATOM 307 CG LYS A 375 11.282 15.921 -8.489 1.00 30.23 C ATOM 308 CD LYS A 375 10.080 15.135 -9.025 1.00 20.32 C ATOM 309 CE LYS A 375 9.507 15.731 -10.297 1.00 54.20 C ATOM 310 NZ LYS A 375 8.317 14.985 -10.767 1.00 32.44 N ATOM 0 H LYS A 375 14.799 15.977 -10.635 1.00 51.11 H new ATOM 0 HA LYS A 375 13.588 17.497 -8.401 1.00 33.25 H new ATOM 0 HB2 LYS A 375 12.048 16.815 -10.286 1.00 65.21 H new ATOM 0 HB3 LYS A 375 12.537 15.148 -10.053 1.00 65.21 H new ATOM 0 HG2 LYS A 375 11.691 15.405 -7.620 1.00 30.23 H new ATOM 0 HG3 LYS A 375 10.948 16.902 -8.149 1.00 30.23 H new ATOM 0 HD2 LYS A 375 10.381 14.105 -9.216 1.00 20.32 H new ATOM 0 HD3 LYS A 375 9.303 15.104 -8.262 1.00 20.32 H new ATOM 0 HE2 LYS A 375 9.237 16.772 -10.121 1.00 54.20 H new ATOM 0 HE3 LYS A 375 10.270 15.727 -11.076 1.00 54.20 H new ATOM 0 HZ1 LYS A 375 7.955 15.423 -11.638 1.00 32.44 H new ATOM 0 HZ2 LYS A 375 8.580 13.997 -10.959 1.00 32.44 H new ATOM 0 HZ3 LYS A 375 7.580 15.010 -10.034 1.00 32.44 H new ATOM 324 N VAL A 376 14.411 15.711 -6.842 1.00 45.15 N ATOM 325 CA VAL A 376 14.873 14.689 -5.959 1.00 22.42 C ATOM 326 C VAL A 376 13.719 14.185 -5.110 1.00 42.15 C ATOM 327 O VAL A 376 13.192 14.915 -4.245 1.00 44.22 O ATOM 328 CB VAL A 376 16.037 15.188 -5.063 1.00 63.21 C ATOM 329 CG1 VAL A 376 16.537 14.079 -4.150 1.00 24.11 C ATOM 330 CG2 VAL A 376 17.177 15.714 -5.922 1.00 60.25 C ATOM 0 H VAL A 376 14.228 16.613 -6.401 1.00 45.15 H new ATOM 0 HA VAL A 376 15.261 13.868 -6.562 1.00 22.42 H new ATOM 0 HB VAL A 376 15.660 15.999 -4.440 1.00 63.21 H new ATOM 0 HG11 VAL A 376 17.353 14.456 -3.533 1.00 24.11 H new ATOM 0 HG12 VAL A 376 15.723 13.741 -3.509 1.00 24.11 H new ATOM 0 HG13 VAL A 376 16.894 13.244 -4.753 1.00 24.11 H new ATOM 0 HG21 VAL A 376 17.987 16.061 -5.280 1.00 60.25 H new ATOM 0 HG22 VAL A 376 17.543 14.917 -6.569 1.00 60.25 H new ATOM 0 HG23 VAL A 376 16.819 16.542 -6.534 1.00 60.25 H new ATOM 340 N VAL A 377 13.286 12.951 -5.371 1.00 24.13 N ATOM 341 CA VAL A 377 12.226 12.367 -4.595 1.00 71.40 C ATOM 342 C VAL A 377 12.822 11.800 -3.301 1.00 74.01 C ATOM 343 O VAL A 377 12.114 11.516 -2.331 1.00 13.04 O ATOM 344 CB VAL A 377 11.465 11.291 -5.383 1.00 61.23 C ATOM 345 CG1 VAL A 377 10.249 10.845 -4.607 1.00 31.35 C ATOM 346 CG2 VAL A 377 11.059 11.813 -6.760 1.00 11.51 C ATOM 0 H VAL A 377 13.657 12.353 -6.109 1.00 24.13 H new ATOM 0 HA VAL A 377 11.494 13.138 -4.352 1.00 71.40 H new ATOM 0 HB VAL A 377 12.124 10.435 -5.527 1.00 61.23 H new ATOM 0 HG11 VAL A 377 9.716 10.082 -5.174 1.00 31.35 H new ATOM 0 HG12 VAL A 377 10.561 10.433 -3.647 1.00 31.35 H new ATOM 0 HG13 VAL A 377 9.592 11.698 -4.439 1.00 31.35 H new ATOM 0 HG21 VAL A 377 10.521 11.034 -7.300 1.00 11.51 H new ATOM 0 HG22 VAL A 377 10.415 12.684 -6.643 1.00 11.51 H new ATOM 0 HG23 VAL A 377 11.951 12.094 -7.320 1.00 11.51 H new ATOM 356 N PHE A 378 14.140 11.633 -3.343 1.00 40.55 N ATOM 357 CA PHE A 378 15.014 11.304 -2.201 1.00 23.04 C ATOM 358 C PHE A 378 14.957 9.830 -1.779 1.00 63.24 C ATOM 359 O PHE A 378 15.956 9.265 -1.379 1.00 10.45 O ATOM 360 CB PHE A 378 14.753 12.250 -1.016 1.00 12.24 C ATOM 361 CG PHE A 378 15.946 12.420 -0.105 1.00 54.43 C ATOM 362 CD1 PHE A 378 17.067 13.107 -0.553 1.00 42.12 C ATOM 363 CD2 PHE A 378 15.957 11.902 1.173 1.00 53.53 C ATOM 364 CE1 PHE A 378 18.172 13.271 0.256 1.00 60.13 C ATOM 365 CE2 PHE A 378 17.061 12.063 1.994 1.00 4.42 C ATOM 366 CZ PHE A 378 18.170 12.750 1.534 1.00 12.44 C ATOM 0 H PHE A 378 14.662 11.726 -4.214 1.00 40.55 H new ATOM 0 HA PHE A 378 16.035 11.461 -2.547 1.00 23.04 H new ATOM 0 HB2 PHE A 378 14.457 13.226 -1.400 1.00 12.24 H new ATOM 0 HB3 PHE A 378 13.914 11.868 -0.435 1.00 12.24 H new ATOM 0 HD1 PHE A 378 17.073 13.519 -1.551 1.00 42.12 H new ATOM 0 HD2 PHE A 378 15.094 11.364 1.538 1.00 53.53 H new ATOM 0 HE1 PHE A 378 19.036 13.806 -0.110 1.00 60.13 H new ATOM 0 HE2 PHE A 378 17.056 11.652 2.993 1.00 4.42 H new ATOM 0 HZ PHE A 378 19.031 12.878 2.173 1.00 12.44 H new ATOM 376 N TYR A 379 13.802 9.222 -1.846 1.00 53.24 N ATOM 377 CA TYR A 379 13.704 7.815 -1.496 1.00 4.20 C ATOM 378 C TYR A 379 13.221 7.002 -2.679 1.00 52.01 C ATOM 379 O TYR A 379 13.127 5.784 -2.614 1.00 11.24 O ATOM 380 CB TYR A 379 12.796 7.611 -0.289 1.00 34.03 C ATOM 381 CG TYR A 379 13.229 8.376 0.939 1.00 3.04 C ATOM 382 CD1 TYR A 379 14.151 7.845 1.828 1.00 62.44 C ATOM 383 CD2 TYR A 379 12.720 9.636 1.201 1.00 32.04 C ATOM 384 CE1 TYR A 379 14.551 8.550 2.946 1.00 10.51 C ATOM 385 CE2 TYR A 379 13.114 10.344 2.307 1.00 24.12 C ATOM 386 CZ TYR A 379 14.029 9.800 3.181 1.00 63.44 C ATOM 387 OH TYR A 379 14.428 10.517 4.293 1.00 64.50 O ATOM 0 H TYR A 379 12.927 9.661 -2.133 1.00 53.24 H new ATOM 0 HA TYR A 379 14.700 7.465 -1.226 1.00 4.20 H new ATOM 0 HB2 TYR A 379 11.783 7.912 -0.554 1.00 34.03 H new ATOM 0 HB3 TYR A 379 12.760 6.548 -0.049 1.00 34.03 H new ATOM 0 HD1 TYR A 379 14.563 6.864 1.643 1.00 62.44 H new ATOM 0 HD2 TYR A 379 12.000 10.069 0.522 1.00 32.04 H new ATOM 0 HE1 TYR A 379 15.269 8.123 3.631 1.00 10.51 H new ATOM 0 HE2 TYR A 379 12.707 11.327 2.493 1.00 24.12 H new ATOM 0 HH TYR A 379 13.965 11.380 4.309 1.00 64.50 H new ATOM 397 N GLU A 380 12.902 7.694 -3.753 1.00 10.41 N ATOM 398 CA GLU A 380 12.489 7.043 -4.983 1.00 14.02 C ATOM 399 C GLU A 380 13.550 7.120 -6.048 1.00 71.13 C ATOM 400 O GLU A 380 14.112 6.105 -6.464 1.00 11.13 O ATOM 401 CB GLU A 380 11.212 7.641 -5.557 1.00 62.01 C ATOM 402 CG GLU A 380 9.932 7.251 -4.884 1.00 63.33 C ATOM 403 CD GLU A 380 8.747 7.731 -5.680 1.00 51.42 C ATOM 404 OE1 GLU A 380 8.400 7.079 -6.683 1.00 55.32 O ATOM 405 OE2 GLU A 380 8.158 8.779 -5.343 1.00 72.52 O ATOM 0 H GLU A 380 12.920 8.713 -3.801 1.00 10.41 H new ATOM 0 HA GLU A 380 12.314 6.003 -4.707 1.00 14.02 H new ATOM 0 HB2 GLU A 380 11.298 8.727 -5.523 1.00 62.01 H new ATOM 0 HB3 GLU A 380 11.145 7.359 -6.608 1.00 62.01 H new ATOM 0 HG2 GLU A 380 9.888 6.167 -4.774 1.00 63.33 H new ATOM 0 HG3 GLU A 380 9.899 7.675 -3.880 1.00 63.33 H new ATOM 412 N ASN A 381 13.797 8.328 -6.508 1.00 22.25 N ATOM 413 CA ASN A 381 14.689 8.586 -7.615 1.00 63.04 C ATOM 414 C ASN A 381 14.853 10.066 -7.856 1.00 14.23 C ATOM 415 O ASN A 381 14.316 10.896 -7.094 1.00 24.34 O ATOM 416 CB ASN A 381 14.201 7.872 -8.896 1.00 42.13 C ATOM 417 CG ASN A 381 12.727 8.027 -9.165 1.00 30.40 C ATOM 418 OD1 ASN A 381 12.099 9.016 -8.805 1.00 64.11 O ATOM 419 ND2 ASN A 381 12.165 7.024 -9.771 1.00 51.11 N ATOM 0 H ASN A 381 13.376 9.171 -6.116 1.00 22.25 H new ATOM 0 HA ASN A 381 15.666 8.182 -7.351 1.00 63.04 H new ATOM 0 HB2 ASN A 381 14.758 8.260 -9.749 1.00 42.13 H new ATOM 0 HB3 ASN A 381 14.435 6.810 -8.819 1.00 42.13 H new ATOM 0 HD21 ASN A 381 11.164 7.041 -9.964 1.00 51.11 H new ATOM 0 HD22 ASN A 381 12.725 6.220 -10.054 1.00 51.11 H new ATOM 426 N VAL A 382 15.625 10.396 -8.876 1.00 73.34 N ATOM 427 CA VAL A 382 15.860 11.762 -9.277 1.00 32.44 C ATOM 428 C VAL A 382 15.654 11.855 -10.781 1.00 73.52 C ATOM 429 O VAL A 382 16.100 10.971 -11.530 1.00 44.42 O ATOM 430 CB VAL A 382 17.309 12.234 -8.929 1.00 11.42 C ATOM 431 CG1 VAL A 382 17.521 13.692 -9.330 1.00 21.22 C ATOM 432 CG2 VAL A 382 17.603 12.053 -7.447 1.00 13.34 C ATOM 0 H VAL A 382 16.111 9.710 -9.454 1.00 73.34 H new ATOM 0 HA VAL A 382 15.166 12.406 -8.738 1.00 32.44 H new ATOM 0 HB VAL A 382 18.001 11.613 -9.498 1.00 11.42 H new ATOM 0 HG11 VAL A 382 18.537 13.995 -9.077 1.00 21.22 H new ATOM 0 HG12 VAL A 382 17.367 13.800 -10.404 1.00 21.22 H new ATOM 0 HG13 VAL A 382 16.811 14.323 -8.796 1.00 21.22 H new ATOM 0 HG21 VAL A 382 18.618 12.389 -7.234 1.00 13.34 H new ATOM 0 HG22 VAL A 382 16.895 12.640 -6.861 1.00 13.34 H new ATOM 0 HG23 VAL A 382 17.507 11.000 -7.183 1.00 13.34 H new ATOM 442 N PHE A 383 14.975 12.885 -11.219 1.00 5.21 N ATOM 443 CA PHE A 383 14.701 13.068 -12.635 1.00 43.25 C ATOM 444 C PHE A 383 15.281 14.377 -13.098 1.00 70.21 C ATOM 445 O PHE A 383 15.519 15.267 -12.293 1.00 61.53 O ATOM 446 CB PHE A 383 13.191 13.162 -12.901 1.00 73.24 C ATOM 447 CG PHE A 383 12.354 12.047 -12.370 1.00 40.11 C ATOM 448 CD1 PHE A 383 12.218 10.868 -13.070 1.00 34.24 C ATOM 449 CD2 PHE A 383 11.688 12.190 -11.167 1.00 51.55 C ATOM 450 CE1 PHE A 383 11.434 9.847 -12.579 1.00 32.04 C ATOM 451 CE2 PHE A 383 10.902 11.181 -10.674 1.00 52.14 C ATOM 452 CZ PHE A 383 10.776 10.004 -11.385 1.00 0.23 C ATOM 0 H PHE A 383 14.597 13.617 -10.617 1.00 5.21 H new ATOM 0 HA PHE A 383 15.134 12.215 -13.157 1.00 43.25 H new ATOM 0 HB2 PHE A 383 12.826 14.096 -12.474 1.00 73.24 H new ATOM 0 HB3 PHE A 383 13.037 13.222 -13.978 1.00 73.24 H new ATOM 0 HD1 PHE A 383 12.731 10.743 -14.012 1.00 34.24 H new ATOM 0 HD2 PHE A 383 11.788 13.109 -10.608 1.00 51.55 H new ATOM 0 HE1 PHE A 383 11.337 8.925 -13.133 1.00 32.04 H new ATOM 0 HE2 PHE A 383 10.384 11.306 -9.735 1.00 52.14 H new ATOM 0 HZ PHE A 383 10.159 9.206 -11.001 1.00 0.23 H new ATOM 462 N GLN A 384 15.507 14.479 -14.379 1.00 71.52 N ATOM 463 CA GLN A 384 15.816 15.731 -15.015 1.00 34.01 C ATOM 464 C GLN A 384 14.731 16.035 -16.015 1.00 21.41 C ATOM 465 O GLN A 384 14.730 15.532 -17.141 1.00 74.41 O ATOM 466 CB GLN A 384 17.216 15.788 -15.637 1.00 55.54 C ATOM 467 CG GLN A 384 17.562 14.616 -16.526 1.00 21.40 C ATOM 468 CD GLN A 384 18.928 14.732 -17.191 1.00 72.04 C ATOM 469 OE1 GLN A 384 19.143 14.215 -18.281 1.00 50.22 O ATOM 470 NE2 GLN A 384 19.851 15.420 -16.562 1.00 33.52 N ATOM 0 H GLN A 384 15.482 13.685 -15.019 1.00 71.52 H new ATOM 0 HA GLN A 384 15.843 16.504 -14.247 1.00 34.01 H new ATOM 0 HB2 GLN A 384 17.303 16.706 -16.219 1.00 55.54 H new ATOM 0 HB3 GLN A 384 17.952 15.848 -14.836 1.00 55.54 H new ATOM 0 HG2 GLN A 384 17.533 13.701 -15.934 1.00 21.40 H new ATOM 0 HG3 GLN A 384 16.799 14.520 -17.298 1.00 21.40 H new ATOM 0 HE21 GLN A 384 19.645 15.840 -15.656 1.00 33.52 H new ATOM 0 HE22 GLN A 384 20.775 15.535 -16.979 1.00 33.52 H new ATOM 479 N ASP A 385 13.775 16.793 -15.541 1.00 21.42 N ATOM 480 CA ASP A 385 12.570 17.202 -16.246 1.00 44.41 C ATOM 481 C ASP A 385 11.675 16.011 -16.494 1.00 44.43 C ATOM 482 O ASP A 385 10.722 15.776 -15.757 1.00 71.44 O ATOM 483 CB ASP A 385 12.862 17.922 -17.557 1.00 23.40 C ATOM 484 CG ASP A 385 11.611 18.540 -18.146 1.00 53.14 C ATOM 485 OD1 ASP A 385 10.869 17.846 -18.874 1.00 1.33 O ATOM 486 OD2 ASP A 385 11.353 19.737 -17.880 1.00 32.42 O ATOM 0 H ASP A 385 13.813 17.169 -14.593 1.00 21.42 H new ATOM 0 HA ASP A 385 12.059 17.916 -15.600 1.00 44.41 H new ATOM 0 HB2 ASP A 385 13.607 18.699 -17.387 1.00 23.40 H new ATOM 0 HB3 ASP A 385 13.292 17.219 -18.271 1.00 23.40 H new ATOM 491 N SER A 386 12.013 15.245 -17.495 1.00 52.33 N ATOM 492 CA SER A 386 11.263 14.088 -17.850 1.00 43.11 C ATOM 493 C SER A 386 12.189 12.868 -18.020 1.00 24.33 C ATOM 494 O SER A 386 11.727 11.753 -18.270 1.00 24.34 O ATOM 495 CB SER A 386 10.466 14.374 -19.125 1.00 71.41 C ATOM 496 OG SER A 386 9.589 15.496 -18.933 1.00 1.21 O ATOM 0 H SER A 386 12.825 15.414 -18.088 1.00 52.33 H new ATOM 0 HA SER A 386 10.563 13.848 -17.050 1.00 43.11 H new ATOM 0 HB2 SER A 386 11.149 14.577 -19.950 1.00 71.41 H new ATOM 0 HB3 SER A 386 9.885 13.494 -19.402 1.00 71.41 H new ATOM 0 HG SER A 386 10.117 16.320 -18.887 1.00 1.21 H new ATOM 502 N ILE A 387 13.499 13.075 -17.868 1.00 60.30 N ATOM 503 CA ILE A 387 14.443 11.969 -17.994 1.00 52.05 C ATOM 504 C ILE A 387 14.810 11.415 -16.625 1.00 43.01 C ATOM 505 O ILE A 387 15.342 12.129 -15.768 1.00 32.42 O ATOM 506 CB ILE A 387 15.753 12.356 -18.744 1.00 22.02 C ATOM 507 CG1 ILE A 387 15.455 12.870 -20.150 1.00 71.02 C ATOM 508 CG2 ILE A 387 16.700 11.156 -18.812 1.00 71.43 C ATOM 509 CD1 ILE A 387 16.691 13.304 -20.919 1.00 31.12 C ATOM 0 H ILE A 387 13.921 13.980 -17.662 1.00 60.30 H new ATOM 0 HA ILE A 387 13.931 11.213 -18.588 1.00 52.05 H new ATOM 0 HB ILE A 387 16.234 13.159 -18.185 1.00 22.02 H new ATOM 0 HG12 ILE A 387 14.945 12.088 -20.712 1.00 71.02 H new ATOM 0 HG13 ILE A 387 14.767 13.713 -20.080 1.00 71.02 H new ATOM 0 HG21 ILE A 387 17.611 11.441 -19.339 1.00 71.43 H new ATOM 0 HG22 ILE A 387 16.951 10.833 -17.802 1.00 71.43 H new ATOM 0 HG23 ILE A 387 16.214 10.338 -19.344 1.00 71.43 H new ATOM 0 HD11 ILE A 387 16.399 13.657 -21.908 1.00 31.12 H new ATOM 0 HD12 ILE A 387 17.191 14.109 -20.380 1.00 31.12 H new ATOM 0 HD13 ILE A 387 17.371 12.459 -21.021 1.00 31.12 H new ATOM 521 N LEU A 388 14.514 10.165 -16.431 1.00 44.11 N ATOM 522 CA LEU A 388 14.846 9.447 -15.228 1.00 30.51 C ATOM 523 C LEU A 388 16.349 9.151 -15.158 1.00 2.42 C ATOM 524 O LEU A 388 16.864 8.348 -15.942 1.00 1.13 O ATOM 525 CB LEU A 388 14.015 8.156 -15.201 1.00 60.22 C ATOM 526 CG LEU A 388 14.340 7.113 -14.141 1.00 3.51 C ATOM 527 CD1 LEU A 388 14.263 7.703 -12.743 1.00 24.40 C ATOM 528 CD2 LEU A 388 13.380 5.942 -14.276 1.00 50.01 C ATOM 0 H LEU A 388 14.022 9.597 -17.121 1.00 44.11 H new ATOM 0 HA LEU A 388 14.610 10.053 -14.353 1.00 30.51 H new ATOM 0 HB2 LEU A 388 12.968 8.436 -15.082 1.00 60.22 H new ATOM 0 HB3 LEU A 388 14.109 7.679 -16.177 1.00 60.22 H new ATOM 0 HG LEU A 388 15.362 6.767 -14.295 1.00 3.51 H new ATOM 0 HD11 LEU A 388 14.500 6.933 -12.009 1.00 24.40 H new ATOM 0 HD12 LEU A 388 14.977 8.522 -12.654 1.00 24.40 H new ATOM 0 HD13 LEU A 388 13.256 8.079 -12.562 1.00 24.40 H new ATOM 0 HD21 LEU A 388 13.610 5.193 -13.518 1.00 50.01 H new ATOM 0 HD22 LEU A 388 12.357 6.293 -14.140 1.00 50.01 H new ATOM 0 HD23 LEU A 388 13.483 5.499 -15.267 1.00 50.01 H new ATOM 540 N LEU A 389 17.043 9.836 -14.237 1.00 3.33 N ATOM 541 CA LEU A 389 18.477 9.630 -14.030 1.00 73.55 C ATOM 542 C LEU A 389 18.753 8.213 -13.582 1.00 61.21 C ATOM 543 O LEU A 389 19.388 7.456 -14.276 1.00 1.22 O ATOM 544 CB LEU A 389 19.037 10.584 -12.975 1.00 62.11 C ATOM 545 CG LEU A 389 18.897 12.073 -13.238 1.00 2.21 C ATOM 546 CD1 LEU A 389 19.558 12.848 -12.122 1.00 64.11 C ATOM 547 CD2 LEU A 389 19.513 12.441 -14.564 1.00 20.00 C ATOM 0 H LEU A 389 16.629 10.539 -13.624 1.00 3.33 H new ATOM 0 HA LEU A 389 18.964 9.825 -14.985 1.00 73.55 H new ATOM 0 HB2 LEU A 389 18.549 10.362 -12.026 1.00 62.11 H new ATOM 0 HB3 LEU A 389 20.097 10.362 -12.848 1.00 62.11 H new ATOM 0 HG LEU A 389 17.837 12.326 -13.274 1.00 2.21 H new ATOM 0 HD11 LEU A 389 19.457 13.917 -12.312 1.00 64.11 H new ATOM 0 HD12 LEU A 389 19.080 12.601 -11.174 1.00 64.11 H new ATOM 0 HD13 LEU A 389 20.615 12.586 -12.074 1.00 64.11 H new ATOM 0 HD21 LEU A 389 19.401 13.512 -14.732 1.00 20.00 H new ATOM 0 HD22 LEU A 389 20.572 12.183 -14.557 1.00 20.00 H new ATOM 0 HD23 LEU A 389 19.011 11.894 -15.362 1.00 20.00 H new ATOM 559 N GLY A 390 18.254 7.872 -12.427 1.00 24.35 N ATOM 560 CA GLY A 390 18.463 6.567 -11.876 1.00 32.01 C ATOM 561 C GLY A 390 17.436 6.300 -10.832 1.00 44.55 C ATOM 562 O GLY A 390 16.638 7.179 -10.537 1.00 34.45 O ATOM 0 H GLY A 390 17.692 8.492 -11.843 1.00 24.35 H new ATOM 0 HA2 GLY A 390 18.402 5.814 -12.662 1.00 32.01 H new ATOM 0 HA3 GLY A 390 19.462 6.498 -11.445 1.00 32.01 H new ATOM 566 N ASN A 391 17.470 5.132 -10.236 1.00 40.45 N ATOM 567 CA ASN A 391 16.452 4.753 -9.247 1.00 44.24 C ATOM 568 C ASN A 391 17.064 4.269 -8.019 1.00 44.41 C ATOM 569 O ASN A 391 18.149 3.696 -8.045 1.00 3.02 O ATOM 570 CB ASN A 391 15.486 3.702 -9.745 1.00 35.21 C ATOM 571 CG ASN A 391 14.698 4.163 -10.899 1.00 44.35 C ATOM 572 OD1 ASN A 391 13.629 4.762 -10.755 1.00 32.23 O ATOM 573 ND2 ASN A 391 15.179 3.892 -12.043 1.00 61.12 N ATOM 0 H ASN A 391 18.181 4.421 -10.408 1.00 40.45 H new ATOM 0 HA ASN A 391 15.889 5.667 -9.059 1.00 44.24 H new ATOM 0 HB2 ASN A 391 16.041 2.806 -10.023 1.00 35.21 H new ATOM 0 HB3 ASN A 391 14.811 3.422 -8.937 1.00 35.21 H new ATOM 0 HD21 ASN A 391 14.678 4.172 -12.886 1.00 61.12 H new ATOM 0 HD22 ASN A 391 16.066 3.395 -12.118 1.00 61.12 H new ATOM 580 N PHE A 392 16.363 4.460 -6.951 1.00 4.10 N ATOM 581 CA PHE A 392 16.882 4.124 -5.623 1.00 75.31 C ATOM 582 C PHE A 392 17.178 2.641 -5.535 1.00 51.15 C ATOM 583 O PHE A 392 16.271 1.798 -5.633 1.00 45.02 O ATOM 584 CB PHE A 392 15.899 4.550 -4.515 1.00 54.43 C ATOM 585 CG PHE A 392 16.393 4.302 -3.114 1.00 51.54 C ATOM 586 CD1 PHE A 392 17.287 5.177 -2.518 1.00 52.21 C ATOM 587 CD2 PHE A 392 15.965 3.195 -2.393 1.00 1.32 C ATOM 588 CE1 PHE A 392 17.744 4.955 -1.236 1.00 73.42 C ATOM 589 CE2 PHE A 392 16.420 2.968 -1.109 1.00 74.41 C ATOM 590 CZ PHE A 392 17.311 3.850 -0.529 1.00 55.10 C ATOM 0 H PHE A 392 15.420 4.849 -6.950 1.00 4.10 H new ATOM 0 HA PHE A 392 17.810 4.675 -5.472 1.00 75.31 H new ATOM 0 HB2 PHE A 392 15.682 5.612 -4.628 1.00 54.43 H new ATOM 0 HB3 PHE A 392 14.959 4.016 -4.655 1.00 54.43 H new ATOM 0 HD1 PHE A 392 17.630 6.043 -3.064 1.00 52.21 H new ATOM 0 HD2 PHE A 392 15.268 2.503 -2.842 1.00 1.32 H new ATOM 0 HE1 PHE A 392 18.441 5.645 -0.784 1.00 73.42 H new ATOM 0 HE2 PHE A 392 16.080 2.103 -0.559 1.00 74.41 H new ATOM 0 HZ PHE A 392 17.668 3.676 0.475 1.00 55.10 H new ATOM 600 N ALA A 393 18.440 2.332 -5.382 1.00 42.35 N ATOM 601 CA ALA A 393 18.874 0.970 -5.284 1.00 61.12 C ATOM 602 C ALA A 393 19.475 0.698 -3.927 1.00 1.24 C ATOM 603 O ALA A 393 19.064 -0.225 -3.224 1.00 54.45 O ATOM 604 CB ALA A 393 19.877 0.652 -6.383 1.00 14.22 C ATOM 0 H ALA A 393 19.191 3.019 -5.322 1.00 42.35 H new ATOM 0 HA ALA A 393 18.005 0.324 -5.409 1.00 61.12 H new ATOM 0 HB1 ALA A 393 20.197 -0.386 -6.294 1.00 14.22 H new ATOM 0 HB2 ALA A 393 19.411 0.807 -7.356 1.00 14.22 H new ATOM 0 HB3 ALA A 393 20.742 1.308 -6.287 1.00 14.22 H new ATOM 610 N SER A 394 20.433 1.518 -3.546 1.00 42.03 N ATOM 611 CA SER A 394 21.143 1.318 -2.312 1.00 30.43 C ATOM 612 C SER A 394 21.519 2.664 -1.700 1.00 1.14 C ATOM 613 O SER A 394 21.802 3.628 -2.428 1.00 23.20 O ATOM 614 CB SER A 394 22.435 0.522 -2.599 1.00 14.52 C ATOM 615 OG SER A 394 22.163 -0.699 -3.293 1.00 52.33 O ATOM 0 H SER A 394 20.735 2.332 -4.081 1.00 42.03 H new ATOM 0 HA SER A 394 20.506 0.771 -1.617 1.00 30.43 H new ATOM 0 HB2 SER A 394 23.115 1.134 -3.192 1.00 14.52 H new ATOM 0 HB3 SER A 394 22.942 0.301 -1.660 1.00 14.52 H new ATOM 0 HG SER A 394 23.003 -1.175 -3.459 1.00 52.33 H new ATOM 621 N GLN A 395 21.490 2.744 -0.395 1.00 24.21 N ATOM 622 CA GLN A 395 21.975 3.911 0.295 1.00 51.51 C ATOM 623 C GLN A 395 23.177 3.508 1.113 1.00 43.32 C ATOM 624 O GLN A 395 23.161 2.464 1.774 1.00 55.14 O ATOM 625 CB GLN A 395 20.898 4.576 1.174 1.00 54.12 C ATOM 626 CG GLN A 395 20.303 3.702 2.272 1.00 52.51 C ATOM 627 CD GLN A 395 19.316 4.461 3.138 1.00 52.43 C ATOM 628 OE1 GLN A 395 19.436 5.665 3.326 1.00 41.54 O ATOM 629 NE2 GLN A 395 18.337 3.774 3.665 1.00 62.43 N ATOM 0 H GLN A 395 21.133 2.009 0.215 1.00 24.21 H new ATOM 0 HA GLN A 395 22.253 4.664 -0.443 1.00 51.51 H new ATOM 0 HB2 GLN A 395 21.331 5.463 1.637 1.00 54.12 H new ATOM 0 HB3 GLN A 395 20.088 4.916 0.528 1.00 54.12 H new ATOM 0 HG2 GLN A 395 19.803 2.845 1.821 1.00 52.51 H new ATOM 0 HG3 GLN A 395 21.106 3.310 2.897 1.00 52.51 H new ATOM 0 HE21 GLN A 395 18.265 2.772 3.489 1.00 62.43 H new ATOM 0 HE22 GLN A 395 17.645 4.240 4.252 1.00 62.43 H new ATOM 638 N GLU A 396 24.217 4.284 1.050 1.00 64.45 N ATOM 639 CA GLU A 396 25.428 3.957 1.749 1.00 24.31 C ATOM 640 C GLU A 396 25.994 5.207 2.375 1.00 44.04 C ATOM 641 O GLU A 396 26.476 6.117 1.677 1.00 23.43 O ATOM 642 CB GLU A 396 26.415 3.290 0.798 1.00 71.13 C ATOM 643 CG GLU A 396 27.672 2.781 1.457 1.00 11.20 C ATOM 644 CD GLU A 396 28.520 2.003 0.499 1.00 12.32 C ATOM 645 OE1 GLU A 396 28.311 0.782 0.380 1.00 73.33 O ATOM 646 OE2 GLU A 396 29.390 2.596 -0.165 1.00 51.15 O ATOM 0 H GLU A 396 24.253 5.154 0.519 1.00 64.45 H new ATOM 0 HA GLU A 396 25.222 3.246 2.549 1.00 24.31 H new ATOM 0 HB2 GLU A 396 25.916 2.457 0.303 1.00 71.13 H new ATOM 0 HB3 GLU A 396 26.690 4.003 0.021 1.00 71.13 H new ATOM 0 HG2 GLU A 396 28.244 3.622 1.850 1.00 11.20 H new ATOM 0 HG3 GLU A 396 27.409 2.150 2.306 1.00 11.20 H new ATOM 653 N GLY A 397 25.907 5.268 3.679 1.00 33.45 N ATOM 654 CA GLY A 397 26.282 6.451 4.384 1.00 44.20 C ATOM 655 C GLY A 397 25.154 7.431 4.269 1.00 73.25 C ATOM 656 O GLY A 397 23.994 7.064 4.485 1.00 51.43 O ATOM 0 H GLY A 397 25.577 4.505 4.270 1.00 33.45 H new ATOM 0 HA2 GLY A 397 26.485 6.224 5.431 1.00 44.20 H new ATOM 0 HA3 GLY A 397 27.197 6.871 3.966 1.00 44.20 H new ATOM 660 N ASN A 398 25.450 8.644 3.912 1.00 3.23 N ATOM 661 CA ASN A 398 24.398 9.616 3.672 1.00 54.12 C ATOM 662 C ASN A 398 24.300 9.845 2.156 1.00 73.24 C ATOM 663 O ASN A 398 23.650 10.767 1.668 1.00 75.30 O ATOM 664 CB ASN A 398 24.680 10.917 4.446 1.00 51.04 C ATOM 665 CG ASN A 398 23.517 11.905 4.430 1.00 21.10 C ATOM 666 OD1 ASN A 398 22.349 11.520 4.332 1.00 21.20 O ATOM 667 ND2 ASN A 398 23.823 13.169 4.569 1.00 62.23 N ATOM 0 H ASN A 398 26.399 8.993 3.778 1.00 3.23 H new ATOM 0 HA ASN A 398 23.439 9.247 4.035 1.00 54.12 H new ATOM 0 HB2 ASN A 398 24.920 10.669 5.480 1.00 51.04 H new ATOM 0 HB3 ASN A 398 25.560 11.399 4.021 1.00 51.04 H new ATOM 0 HD21 ASN A 398 23.085 13.872 4.599 1.00 62.23 H new ATOM 0 HD22 ASN A 398 24.800 13.452 4.647 1.00 62.23 H new ATOM 674 N VAL A 399 24.949 8.957 1.417 1.00 70.32 N ATOM 675 CA VAL A 399 24.953 8.993 -0.024 1.00 63.45 C ATOM 676 C VAL A 399 23.895 8.042 -0.561 1.00 3.35 C ATOM 677 O VAL A 399 23.808 6.875 -0.138 1.00 32.43 O ATOM 678 CB VAL A 399 26.339 8.606 -0.602 1.00 64.41 C ATOM 679 CG1 VAL A 399 26.319 8.609 -2.123 1.00 74.31 C ATOM 680 CG2 VAL A 399 27.410 9.550 -0.091 1.00 55.04 C ATOM 0 H VAL A 399 25.490 8.188 1.812 1.00 70.32 H new ATOM 0 HA VAL A 399 24.732 10.014 -0.335 1.00 63.45 H new ATOM 0 HB VAL A 399 26.571 7.595 -0.266 1.00 64.41 H new ATOM 0 HG11 VAL A 399 27.304 8.334 -2.500 1.00 74.31 H new ATOM 0 HG12 VAL A 399 25.581 7.890 -2.479 1.00 74.31 H new ATOM 0 HG13 VAL A 399 26.058 9.605 -2.481 1.00 74.31 H new ATOM 0 HG21 VAL A 399 28.376 9.264 -0.507 1.00 55.04 H new ATOM 0 HG22 VAL A 399 27.172 10.569 -0.395 1.00 55.04 H new ATOM 0 HG23 VAL A 399 27.453 9.497 0.997 1.00 55.04 H new ATOM 690 N LEU A 400 23.103 8.531 -1.469 1.00 1.34 N ATOM 691 CA LEU A 400 22.036 7.765 -2.048 1.00 3.21 C ATOM 692 C LEU A 400 22.387 7.419 -3.489 1.00 34.55 C ATOM 693 O LEU A 400 22.656 8.315 -4.300 1.00 55.51 O ATOM 694 CB LEU A 400 20.748 8.585 -2.011 1.00 62.14 C ATOM 695 CG LEU A 400 20.316 9.108 -0.634 1.00 34.34 C ATOM 696 CD1 LEU A 400 19.071 9.947 -0.761 1.00 21.34 C ATOM 697 CD2 LEU A 400 20.083 7.969 0.341 1.00 1.22 C ATOM 0 H LEU A 400 23.179 9.481 -1.833 1.00 1.34 H new ATOM 0 HA LEU A 400 21.894 6.844 -1.482 1.00 3.21 H new ATOM 0 HB2 LEU A 400 20.866 9.438 -2.680 1.00 62.14 H new ATOM 0 HB3 LEU A 400 19.941 7.973 -2.414 1.00 62.14 H new ATOM 0 HG LEU A 400 21.124 9.726 -0.242 1.00 34.34 H new ATOM 0 HD11 LEU A 400 18.776 10.311 0.223 1.00 21.34 H new ATOM 0 HD12 LEU A 400 19.269 10.794 -1.417 1.00 21.34 H new ATOM 0 HD13 LEU A 400 18.266 9.343 -1.181 1.00 21.34 H new ATOM 0 HD21 LEU A 400 19.778 8.373 1.306 1.00 1.22 H new ATOM 0 HD22 LEU A 400 19.299 7.316 -0.043 1.00 1.22 H new ATOM 0 HD23 LEU A 400 21.004 7.398 0.461 1.00 1.22 H new ATOM 709 N LYS A 401 22.399 6.145 -3.807 1.00 20.35 N ATOM 710 CA LYS A 401 22.718 5.700 -5.145 1.00 63.01 C ATOM 711 C LYS A 401 21.470 5.279 -5.935 1.00 53.20 C ATOM 712 O LYS A 401 20.686 4.409 -5.505 1.00 12.15 O ATOM 713 CB LYS A 401 23.821 4.602 -5.136 1.00 13.21 C ATOM 714 CG LYS A 401 24.021 3.893 -6.479 1.00 1.13 C ATOM 715 CD LYS A 401 24.226 4.877 -7.623 1.00 0.11 C ATOM 716 CE LYS A 401 24.180 4.169 -8.955 1.00 71.31 C ATOM 717 NZ LYS A 401 25.429 3.474 -9.296 1.00 41.10 N ATOM 0 H LYS A 401 22.190 5.392 -3.151 1.00 20.35 H new ATOM 0 HA LYS A 401 23.132 6.557 -5.677 1.00 63.01 H new ATOM 0 HB2 LYS A 401 24.765 5.056 -4.835 1.00 13.21 H new ATOM 0 HB3 LYS A 401 23.569 3.858 -4.380 1.00 13.21 H new ATOM 0 HG2 LYS A 401 24.884 3.230 -6.413 1.00 1.13 H new ATOM 0 HG3 LYS A 401 23.154 3.268 -6.691 1.00 1.13 H new ATOM 0 HD2 LYS A 401 23.455 5.647 -7.589 1.00 0.11 H new ATOM 0 HD3 LYS A 401 25.185 5.381 -7.507 1.00 0.11 H new ATOM 0 HE2 LYS A 401 23.363 3.447 -8.945 1.00 71.31 H new ATOM 0 HE3 LYS A 401 23.954 4.896 -9.735 1.00 71.31 H new ATOM 0 HZ1 LYS A 401 25.211 2.519 -9.645 1.00 41.10 H new ATOM 0 HZ2 LYS A 401 25.932 4.006 -10.034 1.00 41.10 H new ATOM 0 HZ3 LYS A 401 26.030 3.404 -8.450 1.00 41.10 H new ATOM 731 N TYR A 402 21.305 5.905 -7.097 1.00 61.11 N ATOM 732 CA TYR A 402 20.224 5.655 -7.976 1.00 4.52 C ATOM 733 C TYR A 402 20.770 5.091 -9.287 1.00 31.15 C ATOM 734 O TYR A 402 21.602 5.710 -9.911 1.00 15.55 O ATOM 735 CB TYR A 402 19.500 6.965 -8.267 1.00 62.50 C ATOM 736 CG TYR A 402 18.978 7.684 -7.054 1.00 5.31 C ATOM 737 CD1 TYR A 402 19.755 8.614 -6.393 1.00 35.53 C ATOM 738 CD2 TYR A 402 17.708 7.449 -6.581 1.00 65.24 C ATOM 739 CE1 TYR A 402 19.279 9.278 -5.294 1.00 43.54 C ATOM 740 CE2 TYR A 402 17.224 8.119 -5.480 1.00 21.50 C ATOM 741 CZ TYR A 402 18.017 9.032 -4.847 1.00 4.21 C ATOM 742 OH TYR A 402 17.547 9.706 -3.762 1.00 15.14 O ATOM 0 H TYR A 402 21.951 6.616 -7.440 1.00 61.11 H new ATOM 0 HA TYR A 402 19.535 4.944 -7.520 1.00 4.52 H new ATOM 0 HB2 TYR A 402 20.181 7.629 -8.800 1.00 62.50 H new ATOM 0 HB3 TYR A 402 18.665 6.760 -8.937 1.00 62.50 H new ATOM 0 HD1 TYR A 402 20.754 8.821 -6.748 1.00 35.53 H new ATOM 0 HD2 TYR A 402 17.080 6.727 -7.082 1.00 65.24 H new ATOM 0 HE1 TYR A 402 19.904 9.996 -4.783 1.00 43.54 H new ATOM 0 HE2 TYR A 402 16.225 7.924 -5.120 1.00 21.50 H new ATOM 0 HH TYR A 402 17.064 9.086 -3.176 1.00 15.14 H new ATOM 752 N GLU A 403 20.316 3.932 -9.684 1.00 10.10 N ATOM 753 CA GLU A 403 20.745 3.308 -10.940 1.00 72.20 C ATOM 754 C GLU A 403 19.570 2.711 -11.673 1.00 11.24 C ATOM 755 O GLU A 403 18.446 2.835 -11.208 1.00 22.24 O ATOM 756 CB GLU A 403 21.846 2.275 -10.709 1.00 43.25 C ATOM 757 CG GLU A 403 21.548 1.261 -9.633 1.00 75.40 C ATOM 758 CD GLU A 403 22.696 0.317 -9.434 1.00 54.03 C ATOM 759 OE1 GLU A 403 23.764 0.763 -8.962 1.00 12.31 O ATOM 760 OE2 GLU A 403 22.568 -0.875 -9.769 1.00 2.24 O ATOM 0 H GLU A 403 19.638 3.382 -9.157 1.00 10.10 H new ATOM 0 HA GLU A 403 21.169 4.090 -11.570 1.00 72.20 H new ATOM 0 HB2 GLU A 403 22.031 1.747 -11.644 1.00 43.25 H new ATOM 0 HB3 GLU A 403 22.767 2.798 -10.450 1.00 43.25 H new ATOM 0 HG2 GLU A 403 21.332 1.775 -8.697 1.00 75.40 H new ATOM 0 HG3 GLU A 403 20.654 0.697 -9.900 1.00 75.40 H new ATOM 767 N ASN A 404 19.832 2.086 -12.827 1.00 2.42 N ATOM 768 CA ASN A 404 18.781 1.486 -13.686 1.00 35.55 C ATOM 769 C ASN A 404 17.956 2.599 -14.308 1.00 71.24 C ATOM 770 O ASN A 404 16.778 2.423 -14.641 1.00 11.23 O ATOM 771 CB ASN A 404 17.851 0.517 -12.894 1.00 44.33 C ATOM 772 CG ASN A 404 18.566 -0.660 -12.242 1.00 5.30 C ATOM 773 OD1 ASN A 404 18.136 -1.148 -11.197 1.00 32.44 O ATOM 774 ND2 ASN A 404 19.633 -1.136 -12.843 1.00 31.34 N ATOM 0 H ASN A 404 20.775 1.977 -13.199 1.00 2.42 H new ATOM 0 HA ASN A 404 19.274 0.897 -14.459 1.00 35.55 H new ATOM 0 HB2 ASN A 404 17.333 1.084 -12.120 1.00 44.33 H new ATOM 0 HB3 ASN A 404 17.089 0.132 -13.571 1.00 44.33 H new ATOM 0 HD21 ASN A 404 20.130 -1.932 -12.444 1.00 31.34 H new ATOM 0 HD22 ASN A 404 19.964 -0.709 -13.708 1.00 31.34 H new ATOM 781 N GLY A 405 18.595 3.738 -14.500 1.00 65.13 N ATOM 782 CA GLY A 405 17.937 4.880 -15.046 1.00 64.33 C ATOM 783 C GLY A 405 17.730 4.772 -16.525 1.00 64.35 C ATOM 784 O GLY A 405 18.284 3.875 -17.182 1.00 55.34 O ATOM 0 H GLY A 405 19.580 3.884 -14.279 1.00 65.13 H new ATOM 0 HA2 GLY A 405 16.972 5.008 -14.556 1.00 64.33 H new ATOM 0 HA3 GLY A 405 18.525 5.772 -14.829 1.00 64.33 H new ATOM 788 N GLN A 406 16.968 5.694 -17.043 1.00 42.23 N ATOM 789 CA GLN A 406 16.564 5.736 -18.432 1.00 72.44 C ATOM 790 C GLN A 406 17.824 5.863 -19.301 1.00 34.30 C ATOM 791 O GLN A 406 18.688 6.696 -19.020 1.00 22.04 O ATOM 792 CB GLN A 406 15.611 6.948 -18.582 1.00 42.24 C ATOM 793 CG GLN A 406 14.753 7.052 -19.848 1.00 33.14 C ATOM 794 CD GLN A 406 15.517 7.283 -21.135 1.00 45.14 C ATOM 795 OE1 GLN A 406 15.904 6.343 -21.822 1.00 5.42 O ATOM 796 NE2 GLN A 406 15.726 8.526 -21.474 1.00 0.53 N ATOM 0 H GLN A 406 16.594 6.468 -16.494 1.00 42.23 H new ATOM 0 HA GLN A 406 16.042 4.835 -18.752 1.00 72.44 H new ATOM 0 HB2 GLN A 406 14.938 6.948 -17.725 1.00 42.24 H new ATOM 0 HB3 GLN A 406 16.214 7.854 -18.515 1.00 42.24 H new ATOM 0 HG2 GLN A 406 14.173 6.135 -19.950 1.00 33.14 H new ATOM 0 HG3 GLN A 406 14.041 7.867 -19.717 1.00 33.14 H new ATOM 0 HE21 GLN A 406 15.389 9.281 -20.877 1.00 0.53 H new ATOM 0 HE22 GLN A 406 16.226 8.742 -22.336 1.00 0.53 H new ATOM 805 N SER A 407 17.912 5.016 -20.326 1.00 32.15 N ATOM 806 CA SER A 407 19.053 4.921 -21.238 1.00 34.42 C ATOM 807 C SER A 407 19.612 6.299 -21.662 1.00 4.31 C ATOM 808 O SER A 407 18.880 7.294 -21.784 1.00 54.14 O ATOM 809 CB SER A 407 18.635 4.106 -22.446 1.00 24.23 C ATOM 810 OG SER A 407 18.123 2.845 -22.023 1.00 31.33 O ATOM 0 H SER A 407 17.168 4.356 -20.552 1.00 32.15 H new ATOM 0 HA SER A 407 19.870 4.428 -20.711 1.00 34.42 H new ATOM 0 HB2 SER A 407 17.877 4.644 -23.015 1.00 24.23 H new ATOM 0 HB3 SER A 407 19.487 3.959 -23.110 1.00 24.23 H new ATOM 0 HG SER A 407 17.852 2.322 -22.807 1.00 31.33 H new ATOM 816 N CYS A 408 20.899 6.344 -21.860 1.00 41.54 N ATOM 817 CA CYS A 408 21.584 7.582 -22.131 1.00 30.11 C ATOM 818 C CYS A 408 22.139 7.602 -23.567 1.00 32.23 C ATOM 819 O CYS A 408 22.573 8.656 -24.066 1.00 13.11 O ATOM 820 CB CYS A 408 22.706 7.728 -21.087 1.00 11.21 C ATOM 821 SG CYS A 408 23.656 9.271 -21.139 1.00 64.15 S ATOM 0 H CYS A 408 21.506 5.524 -21.839 1.00 41.54 H new ATOM 0 HA CYS A 408 20.896 8.424 -22.057 1.00 30.11 H new ATOM 0 HB2 CYS A 408 22.265 7.631 -20.095 1.00 11.21 H new ATOM 0 HB3 CYS A 408 23.399 6.895 -21.211 1.00 11.21 H new ATOM 826 N ALA A 409 22.111 6.416 -24.222 1.00 74.52 N ATOM 827 CA ALA A 409 22.631 6.200 -25.593 1.00 33.41 C ATOM 828 C ALA A 409 24.154 6.363 -25.635 1.00 14.15 C ATOM 829 O ALA A 409 24.764 6.433 -26.700 1.00 25.51 O ATOM 830 CB ALA A 409 21.938 7.112 -26.613 1.00 40.01 C ATOM 0 H ALA A 409 21.721 5.570 -23.806 1.00 74.52 H new ATOM 0 HA ALA A 409 22.399 5.173 -25.875 1.00 33.41 H new ATOM 0 HB1 ALA A 409 22.347 6.924 -27.606 1.00 40.01 H new ATOM 0 HB2 ALA A 409 20.867 6.907 -26.616 1.00 40.01 H new ATOM 0 HB3 ALA A 409 22.107 8.154 -26.343 1.00 40.01 H new ATOM 836 N ASN A 410 24.756 6.375 -24.463 1.00 54.24 N ATOM 837 CA ASN A 410 26.196 6.532 -24.329 1.00 53.23 C ATOM 838 C ASN A 410 26.818 5.155 -24.200 1.00 21.43 C ATOM 839 O ASN A 410 27.843 4.858 -24.815 1.00 65.35 O ATOM 840 CB ASN A 410 26.524 7.396 -23.086 1.00 11.12 C ATOM 841 CG ASN A 410 28.015 7.755 -22.907 1.00 44.13 C ATOM 842 OD1 ASN A 410 28.918 7.019 -23.294 1.00 32.31 O ATOM 843 ND2 ASN A 410 28.273 8.892 -22.305 1.00 65.54 N ATOM 0 H ASN A 410 24.264 6.276 -23.575 1.00 54.24 H new ATOM 0 HA ASN A 410 26.602 7.037 -25.206 1.00 53.23 H new ATOM 0 HB2 ASN A 410 25.949 8.320 -23.144 1.00 11.12 H new ATOM 0 HB3 ASN A 410 26.185 6.866 -22.196 1.00 11.12 H new ATOM 0 HD21 ASN A 410 29.239 9.179 -22.151 1.00 65.54 H new ATOM 0 HD22 ASN A 410 27.507 9.488 -21.992 1.00 65.54 H new ATOM 850 N GLY A 411 26.171 4.304 -23.436 1.00 11.23 N ATOM 851 CA GLY A 411 26.667 2.970 -23.231 1.00 44.13 C ATOM 852 C GLY A 411 25.857 2.230 -22.190 1.00 65.23 C ATOM 853 O GLY A 411 24.883 1.559 -22.540 1.00 32.30 O ATOM 0 H GLY A 411 25.301 4.516 -22.948 1.00 11.23 H new ATOM 0 HA2 GLY A 411 26.639 2.422 -24.173 1.00 44.13 H new ATOM 0 HA3 GLY A 411 27.710 3.013 -22.918 1.00 44.13 H new ATOM 857 N PRO A 412 26.210 2.342 -20.895 1.00 74.40 N ATOM 858 CA PRO A 412 25.490 1.662 -19.810 1.00 2.15 C ATOM 859 C PRO A 412 24.184 2.376 -19.447 1.00 41.15 C ATOM 860 O PRO A 412 23.758 3.314 -20.130 1.00 74.01 O ATOM 861 CB PRO A 412 26.469 1.730 -18.623 1.00 51.42 C ATOM 862 CG PRO A 412 27.733 2.314 -19.169 1.00 44.53 C ATOM 863 CD PRO A 412 27.337 3.114 -20.368 1.00 13.10 C ATOM 0 HA PRO A 412 25.205 0.648 -20.090 1.00 2.15 H new ATOM 0 HB2 PRO A 412 26.068 2.348 -17.820 1.00 51.42 H new ATOM 0 HB3 PRO A 412 26.645 0.739 -18.204 1.00 51.42 H new ATOM 0 HG2 PRO A 412 28.224 2.943 -18.426 1.00 44.53 H new ATOM 0 HG3 PRO A 412 28.439 1.529 -19.440 1.00 44.53 H new ATOM 0 HD2 PRO A 412 27.046 4.130 -20.102 1.00 13.10 H new ATOM 0 HD3 PRO A 412 28.149 3.194 -21.091 1.00 13.10 H new ATOM 871 N HIS A 413 23.558 1.935 -18.381 1.00 53.14 N ATOM 872 CA HIS A 413 22.321 2.532 -17.926 1.00 33.11 C ATOM 873 C HIS A 413 22.627 3.746 -17.084 1.00 20.10 C ATOM 874 O HIS A 413 23.622 3.765 -16.345 1.00 14.12 O ATOM 875 CB HIS A 413 21.450 1.517 -17.157 1.00 33.40 C ATOM 876 CG HIS A 413 20.988 0.356 -17.998 1.00 30.53 C ATOM 877 ND1 HIS A 413 19.683 0.179 -18.393 1.00 71.24 N ATOM 878 CD2 HIS A 413 21.670 -0.694 -18.510 1.00 61.21 C ATOM 879 CE1 HIS A 413 19.586 -0.916 -19.108 1.00 62.34 C ATOM 880 NE2 HIS A 413 20.771 -1.462 -19.193 1.00 71.01 N ATOM 0 H HIS A 413 23.887 1.158 -17.807 1.00 53.14 H new ATOM 0 HA HIS A 413 21.743 2.844 -18.796 1.00 33.11 H new ATOM 0 HB2 HIS A 413 22.016 1.136 -16.307 1.00 33.40 H new ATOM 0 HB3 HIS A 413 20.578 2.032 -16.754 1.00 33.40 H new ATOM 0 HD2 HIS A 413 22.727 -0.888 -18.399 1.00 61.21 H new ATOM 0 HE1 HIS A 413 18.680 -1.302 -19.552 1.00 62.34 H new ATOM 0 HE2 HIS A 413 20.989 -2.325 -19.691 1.00 71.01 H new ATOM 889 N ARG A 414 21.784 4.747 -17.198 1.00 40.13 N ATOM 890 CA ARG A 414 21.991 6.026 -16.542 1.00 23.12 C ATOM 891 C ARG A 414 21.833 5.856 -15.027 1.00 22.24 C ATOM 892 O ARG A 414 21.124 4.944 -14.563 1.00 31.33 O ATOM 893 CB ARG A 414 20.972 7.029 -17.093 1.00 72.20 C ATOM 894 CG ARG A 414 21.229 8.484 -16.747 1.00 5.45 C ATOM 895 CD ARG A 414 20.133 9.395 -17.300 1.00 41.45 C ATOM 896 NE ARG A 414 19.894 9.199 -18.740 1.00 63.31 N ATOM 897 CZ ARG A 414 19.945 10.158 -19.685 1.00 73.45 C ATOM 898 NH1 ARG A 414 20.451 11.368 -19.413 1.00 65.23 N ATOM 899 NH2 ARG A 414 19.516 9.889 -20.913 1.00 42.51 N ATOM 0 H ARG A 414 20.928 4.700 -17.751 1.00 40.13 H new ATOM 0 HA ARG A 414 22.997 6.398 -16.738 1.00 23.12 H new ATOM 0 HB2 ARG A 414 20.944 6.932 -18.178 1.00 72.20 H new ATOM 0 HB3 ARG A 414 19.984 6.756 -16.723 1.00 72.20 H new ATOM 0 HG2 ARG A 414 21.285 8.597 -15.664 1.00 5.45 H new ATOM 0 HG3 ARG A 414 22.195 8.789 -17.150 1.00 5.45 H new ATOM 0 HD2 ARG A 414 19.207 9.212 -16.755 1.00 41.45 H new ATOM 0 HD3 ARG A 414 20.408 10.435 -17.121 1.00 41.45 H new ATOM 0 HE ARG A 414 19.670 8.253 -19.049 1.00 63.31 H new ATOM 0 HH11 ARG A 414 20.805 11.575 -18.479 1.00 65.23 H new ATOM 0 HH12 ARG A 414 20.482 12.083 -20.140 1.00 65.23 H new ATOM 0 HH21 ARG A 414 19.152 8.962 -21.134 1.00 42.51 H new ATOM 0 HH22 ARG A 414 19.551 10.609 -21.635 1.00 42.51 H new ATOM 913 N SER A 415 22.486 6.695 -14.276 1.00 22.42 N ATOM 914 CA SER A 415 22.450 6.622 -12.847 1.00 43.33 C ATOM 915 C SER A 415 22.699 7.983 -12.200 1.00 11.01 C ATOM 916 O SER A 415 23.059 8.949 -12.870 1.00 63.02 O ATOM 917 CB SER A 415 23.435 5.543 -12.375 1.00 31.25 C ATOM 918 OG SER A 415 24.684 5.644 -13.021 1.00 51.23 O ATOM 0 H SER A 415 23.062 7.453 -14.642 1.00 22.42 H new ATOM 0 HA SER A 415 21.450 6.333 -12.525 1.00 43.33 H new ATOM 0 HB2 SER A 415 23.577 5.629 -11.298 1.00 31.25 H new ATOM 0 HB3 SER A 415 23.009 4.557 -12.563 1.00 31.25 H new ATOM 0 HG SER A 415 25.400 5.440 -12.383 1.00 51.23 H new ATOM 924 N ALA A 416 22.473 8.060 -10.915 1.00 55.04 N ATOM 925 CA ALA A 416 22.648 9.270 -10.161 1.00 34.33 C ATOM 926 C ALA A 416 23.143 8.922 -8.783 1.00 62.31 C ATOM 927 O ALA A 416 22.698 7.946 -8.190 1.00 14.25 O ATOM 928 CB ALA A 416 21.335 10.034 -10.070 1.00 24.11 C ATOM 0 H ALA A 416 22.157 7.269 -10.355 1.00 55.04 H new ATOM 0 HA ALA A 416 23.378 9.906 -10.662 1.00 34.33 H new ATOM 0 HB1 ALA A 416 21.485 10.948 -9.496 1.00 24.11 H new ATOM 0 HB2 ALA A 416 20.992 10.288 -11.073 1.00 24.11 H new ATOM 0 HB3 ALA A 416 20.587 9.414 -9.576 1.00 24.11 H new ATOM 934 N ILE A 417 24.067 9.675 -8.292 1.00 33.02 N ATOM 935 CA ILE A 417 24.614 9.456 -6.988 1.00 31.45 C ATOM 936 C ILE A 417 24.504 10.742 -6.159 1.00 45.41 C ATOM 937 O ILE A 417 25.184 11.724 -6.422 1.00 61.24 O ATOM 938 CB ILE A 417 26.087 8.917 -7.076 1.00 61.45 C ATOM 939 CG1 ILE A 417 26.681 8.671 -5.688 1.00 74.42 C ATOM 940 CG2 ILE A 417 26.973 9.820 -7.913 1.00 70.41 C ATOM 941 CD1 ILE A 417 28.077 8.085 -5.702 1.00 70.35 C ATOM 0 H ILE A 417 24.471 10.470 -8.787 1.00 33.02 H new ATOM 0 HA ILE A 417 24.038 8.683 -6.479 1.00 31.45 H new ATOM 0 HB ILE A 417 26.044 7.954 -7.586 1.00 61.45 H new ATOM 0 HG12 ILE A 417 26.701 9.614 -5.142 1.00 74.42 H new ATOM 0 HG13 ILE A 417 26.023 7.998 -5.138 1.00 74.42 H new ATOM 0 HG21 ILE A 417 27.982 9.410 -7.947 1.00 70.41 H new ATOM 0 HG22 ILE A 417 26.573 9.885 -8.925 1.00 70.41 H new ATOM 0 HG23 ILE A 417 27.001 10.815 -7.469 1.00 70.41 H new ATOM 0 HD11 ILE A 417 28.422 7.943 -4.678 1.00 70.35 H new ATOM 0 HD12 ILE A 417 28.063 7.125 -6.217 1.00 70.35 H new ATOM 0 HD13 ILE A 417 28.752 8.765 -6.221 1.00 70.35 H new ATOM 953 N VAL A 418 23.628 10.745 -5.189 1.00 11.12 N ATOM 954 CA VAL A 418 23.394 11.941 -4.407 1.00 54.01 C ATOM 955 C VAL A 418 24.241 11.926 -3.155 1.00 1.20 C ATOM 956 O VAL A 418 24.053 11.092 -2.271 1.00 72.42 O ATOM 957 CB VAL A 418 21.894 12.130 -4.022 1.00 65.33 C ATOM 958 CG1 VAL A 418 21.683 13.418 -3.241 1.00 13.22 C ATOM 959 CG2 VAL A 418 21.000 12.119 -5.241 1.00 31.40 C ATOM 0 H VAL A 418 23.064 9.939 -4.918 1.00 11.12 H new ATOM 0 HA VAL A 418 23.676 12.784 -5.038 1.00 54.01 H new ATOM 0 HB VAL A 418 21.622 11.286 -3.388 1.00 65.33 H new ATOM 0 HG11 VAL A 418 20.628 13.521 -2.987 1.00 13.22 H new ATOM 0 HG12 VAL A 418 22.275 13.390 -2.326 1.00 13.22 H new ATOM 0 HG13 VAL A 418 21.995 14.267 -3.849 1.00 13.22 H new ATOM 0 HG21 VAL A 418 19.963 12.253 -4.933 1.00 31.40 H new ATOM 0 HG22 VAL A 418 21.288 12.930 -5.910 1.00 31.40 H new ATOM 0 HG23 VAL A 418 21.104 11.166 -5.760 1.00 31.40 H new ATOM 969 N THR A 419 25.165 12.831 -3.099 1.00 30.13 N ATOM 970 CA THR A 419 26.012 12.996 -1.979 1.00 62.40 C ATOM 971 C THR A 419 25.433 14.125 -1.142 1.00 65.30 C ATOM 972 O THR A 419 25.357 15.279 -1.589 1.00 44.34 O ATOM 973 CB THR A 419 27.430 13.368 -2.457 1.00 62.04 C ATOM 974 OG1 THR A 419 27.847 12.384 -3.424 1.00 61.41 O ATOM 975 CG2 THR A 419 28.412 13.363 -1.288 1.00 41.13 C ATOM 0 H THR A 419 25.350 13.490 -3.856 1.00 30.13 H new ATOM 0 HA THR A 419 26.076 12.078 -1.395 1.00 62.40 H new ATOM 0 HB THR A 419 27.416 14.367 -2.893 1.00 62.04 H new ATOM 0 HG1 THR A 419 28.747 12.601 -3.744 1.00 61.41 H new ATOM 0 HG21 THR A 419 29.406 13.628 -1.647 1.00 41.13 H new ATOM 0 HG22 THR A 419 28.091 14.088 -0.540 1.00 41.13 H new ATOM 0 HG23 THR A 419 28.441 12.369 -0.841 1.00 41.13 H new ATOM 983 N VAL A 420 24.986 13.798 0.033 1.00 50.35 N ATOM 984 CA VAL A 420 24.373 14.771 0.876 1.00 4.40 C ATOM 985 C VAL A 420 25.311 15.084 2.027 1.00 23.24 C ATOM 986 O VAL A 420 25.863 14.177 2.639 1.00 21.51 O ATOM 987 CB VAL A 420 23.012 14.271 1.426 1.00 75.20 C ATOM 988 CG1 VAL A 420 22.292 15.376 2.154 1.00 0.41 C ATOM 989 CG2 VAL A 420 22.136 13.710 0.320 1.00 43.31 C ATOM 0 H VAL A 420 25.036 12.859 0.428 1.00 50.35 H new ATOM 0 HA VAL A 420 24.181 15.669 0.289 1.00 4.40 H new ATOM 0 HB VAL A 420 23.220 13.465 2.130 1.00 75.20 H new ATOM 0 HG11 VAL A 420 21.340 15.003 2.531 1.00 0.41 H new ATOM 0 HG12 VAL A 420 22.903 15.721 2.988 1.00 0.41 H new ATOM 0 HG13 VAL A 420 22.111 16.205 1.470 1.00 0.41 H new ATOM 0 HG21 VAL A 420 21.191 13.369 0.742 1.00 43.31 H new ATOM 0 HG22 VAL A 420 21.944 14.486 -0.421 1.00 43.31 H new ATOM 0 HG23 VAL A 420 22.644 12.871 -0.156 1.00 43.31 H new ATOM 999 N GLU A 421 25.498 16.351 2.316 1.00 33.22 N ATOM 1000 CA GLU A 421 26.401 16.751 3.392 1.00 11.45 C ATOM 1001 C GLU A 421 25.612 17.236 4.611 1.00 44.10 C ATOM 1002 O GLU A 421 26.189 17.541 5.666 1.00 52.03 O ATOM 1003 CB GLU A 421 27.346 17.853 2.900 1.00 73.45 C ATOM 1004 CG GLU A 421 26.644 19.121 2.425 1.00 3.15 C ATOM 1005 CD GLU A 421 27.620 20.194 2.028 1.00 51.11 C ATOM 1006 OE1 GLU A 421 28.328 20.708 2.912 1.00 42.31 O ATOM 1007 OE2 GLU A 421 27.722 20.525 0.838 1.00 54.33 O ATOM 0 H GLU A 421 25.044 17.124 1.830 1.00 33.22 H new ATOM 0 HA GLU A 421 26.990 15.883 3.690 1.00 11.45 H new ATOM 0 HB2 GLU A 421 28.032 18.113 3.706 1.00 73.45 H new ATOM 0 HB3 GLU A 421 27.949 17.459 2.082 1.00 73.45 H new ATOM 0 HG2 GLU A 421 26.002 18.883 1.576 1.00 3.15 H new ATOM 0 HG3 GLU A 421 25.997 19.496 3.218 1.00 3.15 H new ATOM 1014 N CYS A 422 24.291 17.270 4.446 1.00 34.23 N ATOM 1015 CA CYS A 422 23.332 17.738 5.457 1.00 53.03 C ATOM 1016 C CYS A 422 23.404 19.264 5.618 1.00 44.24 C ATOM 1017 O CYS A 422 24.419 19.900 5.304 1.00 31.50 O ATOM 1018 CB CYS A 422 23.472 17.009 6.819 1.00 14.24 C ATOM 1019 SG CYS A 422 22.191 17.477 8.045 1.00 42.10 S ATOM 0 H CYS A 422 23.841 16.965 3.583 1.00 34.23 H new ATOM 0 HA CYS A 422 22.340 17.480 5.086 1.00 53.03 H new ATOM 0 HB2 CYS A 422 23.425 15.933 6.651 1.00 14.24 H new ATOM 0 HB3 CYS A 422 24.456 17.224 7.236 1.00 14.24 H new ATOM 1024 N GLY A 423 22.333 19.845 6.070 1.00 43.33 N ATOM 1025 CA GLY A 423 22.272 21.270 6.190 1.00 61.32 C ATOM 1026 C GLY A 423 21.125 21.675 7.038 1.00 14.31 C ATOM 1027 O GLY A 423 20.585 20.854 7.770 1.00 74.14 O ATOM 0 H GLY A 423 21.489 19.353 6.362 1.00 43.33 H new ATOM 0 HA2 GLY A 423 23.200 21.644 6.622 1.00 61.32 H new ATOM 0 HA3 GLY A 423 22.177 21.720 5.202 1.00 61.32 H new ATOM 1031 N VAL A 424 20.743 22.914 6.956 1.00 61.05 N ATOM 1032 CA VAL A 424 19.628 23.421 7.735 1.00 32.01 C ATOM 1033 C VAL A 424 18.386 23.464 6.852 1.00 53.10 C ATOM 1034 O VAL A 424 17.238 23.427 7.325 1.00 73.13 O ATOM 1035 CB VAL A 424 19.949 24.834 8.289 1.00 23.32 C ATOM 1036 CG1 VAL A 424 18.811 25.373 9.139 1.00 5.12 C ATOM 1037 CG2 VAL A 424 21.235 24.793 9.092 1.00 51.24 C ATOM 0 H VAL A 424 21.186 23.608 6.353 1.00 61.05 H new ATOM 0 HA VAL A 424 19.449 22.761 8.584 1.00 32.01 H new ATOM 0 HB VAL A 424 20.074 25.509 7.442 1.00 23.32 H new ATOM 0 HG11 VAL A 424 19.072 26.364 9.510 1.00 5.12 H new ATOM 0 HG12 VAL A 424 17.905 25.438 8.536 1.00 5.12 H new ATOM 0 HG13 VAL A 424 18.638 24.704 9.982 1.00 5.12 H new ATOM 0 HG21 VAL A 424 21.455 25.788 9.478 1.00 51.24 H new ATOM 0 HG22 VAL A 424 21.123 24.098 9.924 1.00 51.24 H new ATOM 0 HG23 VAL A 424 22.053 24.463 8.452 1.00 51.24 H new ATOM 1047 N GLU A 425 18.633 23.493 5.586 1.00 11.33 N ATOM 1048 CA GLU A 425 17.635 23.585 4.580 1.00 45.13 C ATOM 1049 C GLU A 425 17.932 22.573 3.493 1.00 1.02 C ATOM 1050 O GLU A 425 19.059 22.085 3.398 1.00 1.13 O ATOM 1051 CB GLU A 425 17.639 24.999 3.967 1.00 4.11 C ATOM 1052 CG GLU A 425 18.969 25.439 3.282 1.00 74.52 C ATOM 1053 CD GLU A 425 20.156 25.634 4.235 1.00 60.03 C ATOM 1054 OE1 GLU A 425 20.843 24.637 4.580 1.00 54.02 O ATOM 1055 OE2 GLU A 425 20.416 26.795 4.637 1.00 61.11 O ATOM 0 H GLU A 425 19.580 23.451 5.209 1.00 11.33 H new ATOM 0 HA GLU A 425 16.658 23.385 5.021 1.00 45.13 H new ATOM 0 HB2 GLU A 425 16.837 25.058 3.231 1.00 4.11 H new ATOM 0 HB3 GLU A 425 17.403 25.716 4.753 1.00 4.11 H new ATOM 0 HG2 GLU A 425 19.240 24.692 2.536 1.00 74.52 H new ATOM 0 HG3 GLU A 425 18.794 26.373 2.748 1.00 74.52 H new ATOM 1062 N ASN A 426 16.939 22.235 2.697 1.00 2.13 N ATOM 1063 CA ASN A 426 17.178 21.356 1.569 1.00 52.53 C ATOM 1064 C ASN A 426 17.345 22.167 0.311 1.00 21.31 C ATOM 1065 O ASN A 426 16.522 23.055 0.001 1.00 4.51 O ATOM 1066 CB ASN A 426 16.096 20.260 1.370 1.00 45.11 C ATOM 1067 CG ASN A 426 14.704 20.779 1.062 1.00 71.02 C ATOM 1068 OD1 ASN A 426 14.346 21.013 -0.095 1.00 33.23 O ATOM 1069 ND2 ASN A 426 13.904 20.927 2.056 1.00 32.05 N ATOM 0 H ASN A 426 15.974 22.548 2.806 1.00 2.13 H new ATOM 0 HA ASN A 426 18.098 20.818 1.796 1.00 52.53 H new ATOM 0 HB2 ASN A 426 16.410 19.604 0.558 1.00 45.11 H new ATOM 0 HB3 ASN A 426 16.048 19.650 2.272 1.00 45.11 H new ATOM 0 HD21 ASN A 426 12.948 21.245 1.898 1.00 32.05 H new ATOM 0 HD22 ASN A 426 14.225 20.727 3.003 1.00 32.05 H new ATOM 1076 N GLU A 427 18.406 21.904 -0.391 1.00 54.14 N ATOM 1077 CA GLU A 427 18.697 22.576 -1.623 1.00 12.34 C ATOM 1078 C GLU A 427 19.615 21.705 -2.438 1.00 33.25 C ATOM 1079 O GLU A 427 20.462 20.987 -1.875 1.00 72.13 O ATOM 1080 CB GLU A 427 19.346 23.956 -1.365 1.00 62.14 C ATOM 1081 CG GLU A 427 19.615 24.765 -2.633 1.00 43.04 C ATOM 1082 CD GLU A 427 20.163 26.139 -2.356 1.00 54.51 C ATOM 1083 OE1 GLU A 427 19.367 27.058 -2.063 1.00 24.20 O ATOM 1084 OE2 GLU A 427 21.394 26.340 -2.435 1.00 65.14 O ATOM 0 H GLU A 427 19.102 21.209 -0.122 1.00 54.14 H new ATOM 0 HA GLU A 427 17.769 22.750 -2.168 1.00 12.34 H new ATOM 0 HB2 GLU A 427 18.696 24.534 -0.709 1.00 62.14 H new ATOM 0 HB3 GLU A 427 20.286 23.810 -0.834 1.00 62.14 H new ATOM 0 HG2 GLU A 427 20.320 24.220 -3.261 1.00 43.04 H new ATOM 0 HG3 GLU A 427 18.689 24.858 -3.200 1.00 43.04 H new ATOM 1091 N ILE A 428 19.429 21.719 -3.733 1.00 0.30 N ATOM 1092 CA ILE A 428 20.297 20.997 -4.613 1.00 63.53 C ATOM 1093 C ILE A 428 21.478 21.896 -4.914 1.00 73.43 C ATOM 1094 O ILE A 428 21.337 22.937 -5.569 1.00 42.02 O ATOM 1095 CB ILE A 428 19.581 20.567 -5.913 1.00 71.11 C ATOM 1096 CG1 ILE A 428 18.330 19.728 -5.574 1.00 33.33 C ATOM 1097 CG2 ILE A 428 20.535 19.780 -6.817 1.00 21.52 C ATOM 1098 CD1 ILE A 428 17.518 19.295 -6.773 1.00 12.31 C ATOM 0 H ILE A 428 18.678 22.228 -4.199 1.00 0.30 H new ATOM 0 HA ILE A 428 20.623 20.074 -4.134 1.00 63.53 H new ATOM 0 HB ILE A 428 19.265 21.460 -6.453 1.00 71.11 H new ATOM 0 HG12 ILE A 428 18.642 18.840 -5.024 1.00 33.33 H new ATOM 0 HG13 ILE A 428 17.690 20.307 -4.908 1.00 33.33 H new ATOM 0 HG21 ILE A 428 20.013 19.485 -7.728 1.00 21.52 H new ATOM 0 HG22 ILE A 428 21.390 20.405 -7.075 1.00 21.52 H new ATOM 0 HG23 ILE A 428 20.881 18.889 -6.293 1.00 21.52 H new ATOM 0 HD11 ILE A 428 16.660 18.711 -6.440 1.00 12.31 H new ATOM 0 HD12 ILE A 428 17.170 20.175 -7.314 1.00 12.31 H new ATOM 0 HD13 ILE A 428 18.137 18.686 -7.431 1.00 12.31 H new ATOM 1110 N VAL A 429 22.619 21.504 -4.421 1.00 55.14 N ATOM 1111 CA VAL A 429 23.804 22.312 -4.505 1.00 53.22 C ATOM 1112 C VAL A 429 24.416 22.222 -5.887 1.00 72.21 C ATOM 1113 O VAL A 429 24.598 23.233 -6.561 1.00 63.43 O ATOM 1114 CB VAL A 429 24.853 21.887 -3.439 1.00 34.33 C ATOM 1115 CG1 VAL A 429 26.084 22.783 -3.490 1.00 30.31 C ATOM 1116 CG2 VAL A 429 24.240 21.892 -2.044 1.00 11.33 C ATOM 0 H VAL A 429 22.754 20.611 -3.947 1.00 55.14 H new ATOM 0 HA VAL A 429 23.511 23.344 -4.311 1.00 53.22 H new ATOM 0 HB VAL A 429 25.169 20.870 -3.670 1.00 34.33 H new ATOM 0 HG11 VAL A 429 26.800 22.462 -2.733 1.00 30.31 H new ATOM 0 HG12 VAL A 429 26.543 22.714 -4.476 1.00 30.31 H new ATOM 0 HG13 VAL A 429 25.791 23.815 -3.297 1.00 30.31 H new ATOM 0 HG21 VAL A 429 24.992 21.591 -1.315 1.00 11.33 H new ATOM 0 HG22 VAL A 429 23.885 22.895 -1.806 1.00 11.33 H new ATOM 0 HG23 VAL A 429 23.404 21.193 -2.011 1.00 11.33 H new ATOM 1126 N SER A 430 24.728 21.028 -6.321 1.00 1.42 N ATOM 1127 CA SER A 430 25.351 20.844 -7.615 1.00 53.23 C ATOM 1128 C SER A 430 25.053 19.466 -8.172 1.00 33.15 C ATOM 1129 O SER A 430 24.636 18.572 -7.445 1.00 71.24 O ATOM 1130 CB SER A 430 26.875 21.058 -7.517 1.00 41.13 C ATOM 1131 OG SER A 430 27.182 22.367 -7.044 1.00 55.14 O ATOM 0 H SER A 430 24.563 20.166 -5.801 1.00 1.42 H new ATOM 0 HA SER A 430 24.934 21.586 -8.296 1.00 53.23 H new ATOM 0 HB2 SER A 430 27.307 20.315 -6.846 1.00 41.13 H new ATOM 0 HB3 SER A 430 27.330 20.906 -8.496 1.00 41.13 H new ATOM 0 HG SER A 430 28.154 22.476 -6.990 1.00 55.14 H new ATOM 1137 N VAL A 431 25.228 19.337 -9.459 1.00 54.14 N ATOM 1138 CA VAL A 431 25.083 18.092 -10.190 1.00 53.40 C ATOM 1139 C VAL A 431 26.165 18.067 -11.262 1.00 45.23 C ATOM 1140 O VAL A 431 26.338 19.051 -11.982 1.00 61.31 O ATOM 1141 CB VAL A 431 23.696 17.942 -10.889 1.00 74.12 C ATOM 1142 CG1 VAL A 431 23.619 16.603 -11.602 1.00 24.20 C ATOM 1143 CG2 VAL A 431 22.543 18.074 -9.903 1.00 43.51 C ATOM 0 H VAL A 431 25.486 20.122 -10.057 1.00 54.14 H new ATOM 0 HA VAL A 431 25.170 17.272 -9.477 1.00 53.40 H new ATOM 0 HB VAL A 431 23.602 18.751 -11.614 1.00 74.12 H new ATOM 0 HG11 VAL A 431 22.648 16.505 -12.088 1.00 24.20 H new ATOM 0 HG12 VAL A 431 24.408 16.544 -12.352 1.00 24.20 H new ATOM 0 HG13 VAL A 431 23.746 15.798 -10.878 1.00 24.20 H new ATOM 0 HG21 VAL A 431 21.597 17.963 -10.433 1.00 43.51 H new ATOM 0 HG22 VAL A 431 22.625 17.299 -9.141 1.00 43.51 H new ATOM 0 HG23 VAL A 431 22.580 19.055 -9.429 1.00 43.51 H new ATOM 1153 N LEU A 432 26.895 16.991 -11.361 1.00 41.45 N ATOM 1154 CA LEU A 432 27.954 16.913 -12.336 1.00 55.05 C ATOM 1155 C LEU A 432 27.946 15.567 -13.057 1.00 52.42 C ATOM 1156 O LEU A 432 27.905 14.507 -12.420 1.00 41.03 O ATOM 1157 CB LEU A 432 29.305 17.135 -11.648 1.00 73.11 C ATOM 1158 CG LEU A 432 30.535 17.156 -12.553 1.00 3.33 C ATOM 1159 CD1 LEU A 432 30.465 18.316 -13.536 1.00 0.02 C ATOM 1160 CD2 LEU A 432 31.802 17.229 -11.723 1.00 41.21 C ATOM 0 H LEU A 432 26.780 16.158 -10.783 1.00 41.45 H new ATOM 0 HA LEU A 432 27.792 17.692 -13.081 1.00 55.05 H new ATOM 0 HB2 LEU A 432 29.262 18.081 -11.109 1.00 73.11 H new ATOM 0 HB3 LEU A 432 29.442 16.350 -10.904 1.00 73.11 H new ATOM 0 HG LEU A 432 30.553 16.230 -13.128 1.00 3.33 H new ATOM 0 HD11 LEU A 432 31.352 18.310 -14.170 1.00 0.02 H new ATOM 0 HD12 LEU A 432 29.575 18.214 -14.157 1.00 0.02 H new ATOM 0 HD13 LEU A 432 30.418 19.256 -12.987 1.00 0.02 H new ATOM 0 HD21 LEU A 432 32.669 17.243 -12.383 1.00 41.21 H new ATOM 0 HD22 LEU A 432 31.790 18.137 -11.120 1.00 41.21 H new ATOM 0 HD23 LEU A 432 31.859 16.359 -11.068 1.00 41.21 H new ATOM 1172 N GLU A 433 27.968 15.602 -14.373 1.00 35.11 N ATOM 1173 CA GLU A 433 28.065 14.390 -15.157 1.00 32.22 C ATOM 1174 C GLU A 433 29.538 14.133 -15.450 1.00 53.23 C ATOM 1175 O GLU A 433 30.078 14.586 -16.456 1.00 12.51 O ATOM 1176 CB GLU A 433 27.259 14.499 -16.467 1.00 62.12 C ATOM 1177 CG GLU A 433 27.285 13.248 -17.351 1.00 74.04 C ATOM 1178 CD GLU A 433 26.565 13.461 -18.664 1.00 21.34 C ATOM 1179 OE1 GLU A 433 25.333 13.261 -18.741 1.00 41.15 O ATOM 1180 OE2 GLU A 433 27.228 13.828 -19.655 1.00 10.13 O ATOM 0 H GLU A 433 27.920 16.460 -14.923 1.00 35.11 H new ATOM 0 HA GLU A 433 27.641 13.558 -14.595 1.00 32.22 H new ATOM 0 HB2 GLU A 433 26.223 14.729 -16.220 1.00 62.12 H new ATOM 0 HB3 GLU A 433 27.644 15.340 -17.043 1.00 62.12 H new ATOM 0 HG2 GLU A 433 28.319 12.965 -17.547 1.00 74.04 H new ATOM 0 HG3 GLU A 433 26.824 12.418 -16.816 1.00 74.04 H new ATOM 1187 N ALA A 434 30.201 13.494 -14.524 1.00 70.00 N ATOM 1188 CA ALA A 434 31.627 13.211 -14.663 1.00 40.21 C ATOM 1189 C ALA A 434 31.854 11.724 -14.783 1.00 2.04 C ATOM 1190 O ALA A 434 32.984 11.241 -14.832 1.00 5.05 O ATOM 1191 CB ALA A 434 32.374 13.761 -13.467 1.00 65.13 C ATOM 0 H ALA A 434 29.785 13.153 -13.657 1.00 70.00 H new ATOM 0 HA ALA A 434 32.000 13.692 -15.567 1.00 40.21 H new ATOM 0 HB1 ALA A 434 33.438 13.548 -13.573 1.00 65.13 H new ATOM 0 HB2 ALA A 434 32.223 14.839 -13.408 1.00 65.13 H new ATOM 0 HB3 ALA A 434 31.999 13.292 -12.557 1.00 65.13 H new ATOM 1197 N GLN A 435 30.774 11.012 -14.837 1.00 31.15 N ATOM 1198 CA GLN A 435 30.795 9.583 -14.911 1.00 14.43 C ATOM 1199 C GLN A 435 29.953 9.122 -16.076 1.00 23.44 C ATOM 1200 O GLN A 435 29.459 9.954 -16.836 1.00 62.44 O ATOM 1201 CB GLN A 435 30.317 8.992 -13.584 1.00 31.14 C ATOM 1202 CG GLN A 435 31.268 9.289 -12.422 1.00 54.43 C ATOM 1203 CD GLN A 435 30.810 8.738 -11.093 1.00 22.03 C ATOM 1204 OE1 GLN A 435 31.631 8.369 -10.254 1.00 35.25 O ATOM 1205 NE2 GLN A 435 29.528 8.733 -10.864 1.00 64.32 N ATOM 0 H GLN A 435 29.836 11.412 -14.831 1.00 31.15 H new ATOM 0 HA GLN A 435 31.812 9.230 -15.081 1.00 14.43 H new ATOM 0 HB2 GLN A 435 29.330 9.390 -13.350 1.00 31.14 H new ATOM 0 HB3 GLN A 435 30.208 7.913 -13.691 1.00 31.14 H new ATOM 0 HG2 GLN A 435 32.249 8.876 -12.655 1.00 54.43 H new ATOM 0 HG3 GLN A 435 31.389 10.369 -12.333 1.00 54.43 H new ATOM 0 HE21 GLN A 435 28.880 9.047 -11.586 1.00 64.32 H new ATOM 0 HE22 GLN A 435 29.172 8.415 -9.962 1.00 64.32 H new ATOM 1214 N LYS A 436 29.803 7.815 -16.220 1.00 52.41 N ATOM 1215 CA LYS A 436 29.059 7.197 -17.335 1.00 4.14 C ATOM 1216 C LYS A 436 27.544 7.508 -17.277 1.00 11.52 C ATOM 1217 O LYS A 436 26.726 6.660 -16.954 1.00 40.45 O ATOM 1218 CB LYS A 436 29.329 5.655 -17.418 1.00 34.12 C ATOM 1219 CG LYS A 436 28.733 4.775 -16.267 1.00 25.52 C ATOM 1220 CD LYS A 436 29.203 5.155 -14.863 1.00 74.24 C ATOM 1221 CE LYS A 436 28.561 4.265 -13.804 1.00 45.14 C ATOM 1222 NZ LYS A 436 28.838 2.824 -14.026 1.00 74.44 N ATOM 0 H LYS A 436 30.193 7.136 -15.566 1.00 52.41 H new ATOM 0 HA LYS A 436 29.435 7.649 -18.253 1.00 4.14 H new ATOM 0 HB2 LYS A 436 28.933 5.290 -18.366 1.00 34.12 H new ATOM 0 HB3 LYS A 436 30.407 5.499 -17.442 1.00 34.12 H new ATOM 0 HG2 LYS A 436 27.646 4.843 -16.302 1.00 25.52 H new ATOM 0 HG3 LYS A 436 28.993 3.733 -16.453 1.00 25.52 H new ATOM 0 HD2 LYS A 436 30.288 5.069 -14.805 1.00 74.24 H new ATOM 0 HD3 LYS A 436 28.955 6.198 -14.664 1.00 74.24 H new ATOM 0 HE2 LYS A 436 28.929 4.555 -12.820 1.00 45.14 H new ATOM 0 HE3 LYS A 436 27.483 4.428 -13.802 1.00 45.14 H new ATOM 0 HZ1 LYS A 436 28.575 2.285 -13.176 1.00 74.44 H new ATOM 0 HZ2 LYS A 436 28.282 2.485 -14.837 1.00 74.44 H new ATOM 0 HZ3 LYS A 436 29.851 2.691 -14.220 1.00 74.44 H new ATOM 1236 N CYS A 437 27.202 8.757 -17.546 1.00 41.10 N ATOM 1237 CA CYS A 437 25.832 9.242 -17.435 1.00 11.13 C ATOM 1238 C CYS A 437 25.342 9.086 -15.992 1.00 1.53 C ATOM 1239 O CYS A 437 24.151 9.082 -15.725 1.00 11.53 O ATOM 1240 CB CYS A 437 24.904 8.534 -18.437 1.00 12.32 C ATOM 1241 SG CYS A 437 25.387 8.786 -20.186 1.00 64.32 S ATOM 0 H CYS A 437 27.868 9.468 -17.849 1.00 41.10 H new ATOM 0 HA CYS A 437 25.812 10.302 -17.689 1.00 11.13 H new ATOM 0 HB2 CYS A 437 24.897 7.466 -18.221 1.00 12.32 H new ATOM 0 HB3 CYS A 437 23.885 8.895 -18.294 1.00 12.32 H new ATOM 1246 N GLU A 438 26.297 8.970 -15.064 1.00 44.21 N ATOM 1247 CA GLU A 438 25.984 8.921 -13.675 1.00 64.21 C ATOM 1248 C GLU A 438 26.186 10.303 -13.132 1.00 25.41 C ATOM 1249 O GLU A 438 27.297 10.867 -13.213 1.00 2.33 O ATOM 1250 CB GLU A 438 26.827 7.886 -12.900 1.00 11.40 C ATOM 1251 CG GLU A 438 26.358 7.735 -11.437 1.00 2.54 C ATOM 1252 CD GLU A 438 26.965 6.558 -10.704 1.00 30.42 C ATOM 1253 OE1 GLU A 438 26.472 5.429 -10.872 1.00 22.40 O ATOM 1254 OE2 GLU A 438 27.931 6.741 -9.940 1.00 4.02 O ATOM 0 H GLU A 438 27.293 8.910 -15.275 1.00 44.21 H new ATOM 0 HA GLU A 438 24.952 8.593 -13.548 1.00 64.21 H new ATOM 0 HB2 GLU A 438 26.766 6.920 -13.402 1.00 11.40 H new ATOM 0 HB3 GLU A 438 27.874 8.187 -12.915 1.00 11.40 H new ATOM 0 HG2 GLU A 438 26.600 8.649 -10.895 1.00 2.54 H new ATOM 0 HG3 GLU A 438 25.273 7.635 -11.425 1.00 2.54 H new ATOM 1261 N TYR A 439 25.142 10.850 -12.612 1.00 63.25 N ATOM 1262 CA TYR A 439 25.136 12.208 -12.179 1.00 43.44 C ATOM 1263 C TYR A 439 25.452 12.329 -10.727 1.00 3.22 C ATOM 1264 O TYR A 439 24.768 11.769 -9.879 1.00 65.33 O ATOM 1265 CB TYR A 439 23.785 12.854 -12.503 1.00 63.15 C ATOM 1266 CG TYR A 439 23.503 12.877 -13.977 1.00 12.03 C ATOM 1267 CD1 TYR A 439 22.914 11.793 -14.602 1.00 55.45 C ATOM 1268 CD2 TYR A 439 23.846 13.967 -14.749 1.00 54.11 C ATOM 1269 CE1 TYR A 439 22.672 11.797 -15.950 1.00 33.12 C ATOM 1270 CE2 TYR A 439 23.609 13.974 -16.101 1.00 43.32 C ATOM 1271 CZ TYR A 439 23.020 12.879 -16.694 1.00 32.14 C ATOM 1272 OH TYR A 439 22.786 12.876 -18.042 1.00 64.45 O ATOM 0 H TYR A 439 24.257 10.363 -12.473 1.00 63.25 H new ATOM 0 HA TYR A 439 25.920 12.738 -12.719 1.00 43.44 H new ATOM 0 HB2 TYR A 439 22.992 12.308 -11.992 1.00 63.15 H new ATOM 0 HB3 TYR A 439 23.770 13.873 -12.117 1.00 63.15 H new ATOM 0 HD1 TYR A 439 22.640 10.928 -14.017 1.00 55.45 H new ATOM 0 HD2 TYR A 439 24.307 14.826 -14.284 1.00 54.11 H new ATOM 0 HE1 TYR A 439 22.206 10.943 -16.420 1.00 33.12 H new ATOM 0 HE2 TYR A 439 23.883 14.833 -16.696 1.00 43.32 H new ATOM 0 HH TYR A 439 23.634 12.769 -18.521 1.00 64.45 H new ATOM 1282 N LEU A 440 26.503 13.045 -10.456 1.00 61.31 N ATOM 1283 CA LEU A 440 26.937 13.323 -9.110 1.00 41.23 C ATOM 1284 C LEU A 440 26.039 14.429 -8.593 1.00 65.11 C ATOM 1285 O LEU A 440 26.112 15.548 -9.081 1.00 0.04 O ATOM 1286 CB LEU A 440 28.388 13.853 -9.126 1.00 32.32 C ATOM 1287 CG LEU A 440 29.464 12.973 -9.779 1.00 40.22 C ATOM 1288 CD1 LEU A 440 30.783 13.718 -9.833 1.00 53.12 C ATOM 1289 CD2 LEU A 440 29.645 11.683 -9.015 1.00 73.44 C ATOM 0 H LEU A 440 27.096 13.462 -11.174 1.00 61.31 H new ATOM 0 HA LEU A 440 26.890 12.425 -8.494 1.00 41.23 H new ATOM 0 HB2 LEU A 440 28.387 14.816 -9.637 1.00 32.32 H new ATOM 0 HB3 LEU A 440 28.688 14.039 -8.095 1.00 32.32 H new ATOM 0 HG LEU A 440 29.137 12.735 -10.791 1.00 40.22 H new ATOM 0 HD11 LEU A 440 31.539 13.085 -10.298 1.00 53.12 H new ATOM 0 HD12 LEU A 440 30.662 14.629 -10.419 1.00 53.12 H new ATOM 0 HD13 LEU A 440 31.097 13.976 -8.822 1.00 53.12 H new ATOM 0 HD21 LEU A 440 30.412 11.078 -9.498 1.00 73.44 H new ATOM 0 HD22 LEU A 440 29.949 11.905 -7.992 1.00 73.44 H new ATOM 0 HD23 LEU A 440 28.704 11.133 -9.002 1.00 73.44 H new ATOM 1301 N ILE A 441 25.192 14.131 -7.669 1.00 52.24 N ATOM 1302 CA ILE A 441 24.265 15.112 -7.164 1.00 23.34 C ATOM 1303 C ILE A 441 24.693 15.502 -5.775 1.00 42.44 C ATOM 1304 O ILE A 441 25.039 14.654 -4.983 1.00 62.22 O ATOM 1305 CB ILE A 441 22.826 14.550 -7.111 1.00 15.42 C ATOM 1306 CG1 ILE A 441 22.467 13.905 -8.453 1.00 62.12 C ATOM 1307 CG2 ILE A 441 21.821 15.653 -6.742 1.00 50.12 C ATOM 1308 CD1 ILE A 441 21.061 13.374 -8.546 1.00 3.44 C ATOM 0 H ILE A 441 25.114 13.210 -7.238 1.00 52.24 H new ATOM 0 HA ILE A 441 24.269 15.974 -7.831 1.00 23.34 H new ATOM 0 HB ILE A 441 22.777 13.786 -6.335 1.00 15.42 H new ATOM 0 HG12 ILE A 441 22.615 14.640 -9.244 1.00 62.12 H new ATOM 0 HG13 ILE A 441 23.162 13.087 -8.644 1.00 62.12 H new ATOM 0 HG21 ILE A 441 20.815 15.233 -6.711 1.00 50.12 H new ATOM 0 HG22 ILE A 441 22.074 16.063 -5.764 1.00 50.12 H new ATOM 0 HG23 ILE A 441 21.860 16.446 -7.489 1.00 50.12 H new ATOM 0 HD11 ILE A 441 20.902 12.937 -9.532 1.00 3.44 H new ATOM 0 HD12 ILE A 441 20.909 12.612 -7.782 1.00 3.44 H new ATOM 0 HD13 ILE A 441 20.353 14.189 -8.392 1.00 3.44 H new ATOM 1320 N LYS A 442 24.695 16.754 -5.497 1.00 33.14 N ATOM 1321 CA LYS A 442 25.095 17.231 -4.215 1.00 22.12 C ATOM 1322 C LYS A 442 23.932 17.954 -3.557 1.00 12.14 C ATOM 1323 O LYS A 442 23.337 18.854 -4.160 1.00 55.11 O ATOM 1324 CB LYS A 442 26.279 18.168 -4.385 1.00 14.43 C ATOM 1325 CG LYS A 442 26.927 18.591 -3.082 1.00 55.42 C ATOM 1326 CD LYS A 442 28.203 19.342 -3.348 1.00 44.13 C ATOM 1327 CE LYS A 442 28.841 19.845 -2.072 1.00 14.54 C ATOM 1328 NZ LYS A 442 30.119 20.538 -2.339 1.00 33.42 N ATOM 0 H LYS A 442 24.419 17.485 -6.153 1.00 33.14 H new ATOM 0 HA LYS A 442 25.389 16.397 -3.578 1.00 22.12 H new ATOM 0 HB2 LYS A 442 27.028 17.680 -5.009 1.00 14.43 H new ATOM 0 HB3 LYS A 442 25.950 19.059 -4.920 1.00 14.43 H new ATOM 0 HG2 LYS A 442 26.240 19.219 -2.514 1.00 55.42 H new ATOM 0 HG3 LYS A 442 27.135 17.713 -2.471 1.00 55.42 H new ATOM 0 HD2 LYS A 442 28.904 18.692 -3.872 1.00 44.13 H new ATOM 0 HD3 LYS A 442 27.997 20.185 -4.007 1.00 44.13 H new ATOM 0 HE2 LYS A 442 28.156 20.526 -1.566 1.00 14.54 H new ATOM 0 HE3 LYS A 442 29.015 19.007 -1.397 1.00 14.54 H new ATOM 0 HZ1 LYS A 442 30.528 20.869 -1.442 1.00 33.42 H new ATOM 0 HZ2 LYS A 442 30.781 19.881 -2.800 1.00 33.42 H new ATOM 0 HZ3 LYS A 442 29.949 21.352 -2.963 1.00 33.42 H new ATOM 1342 N MET A 443 23.599 17.567 -2.344 1.00 44.42 N ATOM 1343 CA MET A 443 22.502 18.181 -1.614 1.00 74.34 C ATOM 1344 C MET A 443 22.812 18.285 -0.162 1.00 53.11 C ATOM 1345 O MET A 443 23.847 17.801 0.323 1.00 53.05 O ATOM 1346 CB MET A 443 21.180 17.401 -1.725 1.00 71.31 C ATOM 1347 CG MET A 443 20.493 17.395 -3.064 1.00 21.11 C ATOM 1348 SD MET A 443 18.866 16.615 -2.969 1.00 11.42 S ATOM 1349 CE MET A 443 18.030 17.676 -1.756 1.00 73.24 C ATOM 0 H MET A 443 24.076 16.822 -1.835 1.00 44.42 H new ATOM 0 HA MET A 443 22.383 19.163 -2.072 1.00 74.34 H new ATOM 0 HB2 MET A 443 21.374 16.367 -1.440 1.00 71.31 H new ATOM 0 HB3 MET A 443 20.485 17.809 -0.991 1.00 71.31 H new ATOM 0 HG2 MET A 443 20.387 18.418 -3.424 1.00 21.11 H new ATOM 0 HG3 MET A 443 21.110 16.864 -3.789 1.00 21.11 H new ATOM 0 HE1 MET A 443 16.998 17.348 -1.636 1.00 73.24 H new ATOM 0 HE2 MET A 443 18.546 17.610 -0.798 1.00 73.24 H new ATOM 0 HE3 MET A 443 18.044 18.709 -2.105 1.00 73.24 H new ATOM 1359 N LYS A 444 21.906 18.896 0.535 1.00 51.24 N ATOM 1360 CA LYS A 444 21.940 18.992 1.943 1.00 44.32 C ATOM 1361 C LYS A 444 20.531 19.224 2.420 1.00 65.05 C ATOM 1362 O LYS A 444 19.726 19.790 1.683 1.00 52.51 O ATOM 1363 CB LYS A 444 22.869 20.114 2.410 1.00 22.30 C ATOM 1364 CG LYS A 444 22.461 21.504 2.028 1.00 71.32 C ATOM 1365 CD LYS A 444 23.534 22.451 2.453 1.00 11.11 C ATOM 1366 CE LYS A 444 23.076 23.889 2.352 1.00 61.33 C ATOM 1367 NZ LYS A 444 24.139 24.836 2.737 1.00 63.43 N ATOM 0 H LYS A 444 21.098 19.355 0.115 1.00 51.24 H new ATOM 0 HA LYS A 444 22.337 18.069 2.366 1.00 44.32 H new ATOM 0 HB2 LYS A 444 22.948 20.065 3.496 1.00 22.30 H new ATOM 0 HB3 LYS A 444 23.865 19.925 2.009 1.00 22.30 H new ATOM 0 HG2 LYS A 444 22.304 21.569 0.951 1.00 71.32 H new ATOM 0 HG3 LYS A 444 21.516 21.765 2.504 1.00 71.32 H new ATOM 0 HD2 LYS A 444 23.828 22.233 3.480 1.00 11.11 H new ATOM 0 HD3 LYS A 444 24.417 22.305 1.831 1.00 11.11 H new ATOM 0 HE2 LYS A 444 22.758 24.097 1.331 1.00 61.33 H new ATOM 0 HE3 LYS A 444 22.207 24.039 2.993 1.00 61.33 H new ATOM 0 HZ1 LYS A 444 23.783 25.810 2.654 1.00 63.43 H new ATOM 0 HZ2 LYS A 444 24.426 24.655 3.720 1.00 63.43 H new ATOM 0 HZ3 LYS A 444 24.959 24.712 2.109 1.00 63.43 H new ATOM 1381 N SER A 445 20.231 18.737 3.594 1.00 53.32 N ATOM 1382 CA SER A 445 18.952 18.921 4.229 1.00 31.53 C ATOM 1383 C SER A 445 19.112 18.539 5.682 1.00 72.32 C ATOM 1384 O SER A 445 19.988 17.732 5.995 1.00 12.23 O ATOM 1385 CB SER A 445 17.878 18.045 3.555 1.00 70.14 C ATOM 1386 OG SER A 445 18.227 16.671 3.577 1.00 75.51 O ATOM 0 H SER A 445 20.886 18.187 4.150 1.00 53.32 H new ATOM 0 HA SER A 445 18.627 19.958 4.138 1.00 31.53 H new ATOM 0 HB2 SER A 445 16.924 18.185 4.063 1.00 70.14 H new ATOM 0 HB3 SER A 445 17.741 18.368 2.523 1.00 70.14 H new ATOM 0 HG SER A 445 17.522 16.147 3.143 1.00 75.51 H new ATOM 1392 N PRO A 446 18.327 19.115 6.600 1.00 72.33 N ATOM 1393 CA PRO A 446 18.405 18.765 8.023 1.00 61.51 C ATOM 1394 C PRO A 446 17.972 17.327 8.270 1.00 35.40 C ATOM 1395 O PRO A 446 18.456 16.665 9.192 1.00 34.32 O ATOM 1396 CB PRO A 446 17.435 19.743 8.696 1.00 30.31 C ATOM 1397 CG PRO A 446 16.516 20.171 7.613 1.00 15.40 C ATOM 1398 CD PRO A 446 17.335 20.173 6.353 1.00 55.05 C ATOM 0 HA PRO A 446 19.422 18.837 8.409 1.00 61.51 H new ATOM 0 HB2 PRO A 446 16.891 19.264 9.510 1.00 30.31 H new ATOM 0 HB3 PRO A 446 17.965 20.594 9.124 1.00 30.31 H new ATOM 0 HG2 PRO A 446 15.670 19.490 7.527 1.00 15.40 H new ATOM 0 HG3 PRO A 446 16.109 21.162 7.815 1.00 15.40 H new ATOM 0 HD2 PRO A 446 16.726 19.958 5.475 1.00 55.05 H new ATOM 0 HD3 PRO A 446 17.810 21.139 6.182 1.00 55.05 H new ATOM 1406 N ALA A 447 17.085 16.834 7.416 1.00 13.33 N ATOM 1407 CA ALA A 447 16.576 15.480 7.524 1.00 41.52 C ATOM 1408 C ALA A 447 17.638 14.457 7.141 1.00 70.13 C ATOM 1409 O ALA A 447 17.533 13.270 7.489 1.00 41.20 O ATOM 1410 CB ALA A 447 15.336 15.304 6.663 1.00 64.42 C ATOM 0 H ALA A 447 16.701 17.362 6.632 1.00 13.33 H new ATOM 0 HA ALA A 447 16.305 15.309 8.566 1.00 41.52 H new ATOM 0 HB1 ALA A 447 14.969 14.282 6.758 1.00 64.42 H new ATOM 0 HB2 ALA A 447 14.563 15.999 6.992 1.00 64.42 H new ATOM 0 HB3 ALA A 447 15.585 15.505 5.621 1.00 64.42 H new ATOM 1416 N ALA A 448 18.661 14.918 6.444 1.00 70.44 N ATOM 1417 CA ALA A 448 19.729 14.059 5.993 1.00 73.40 C ATOM 1418 C ALA A 448 20.654 13.677 7.127 1.00 51.14 C ATOM 1419 O ALA A 448 21.244 12.602 7.101 1.00 73.15 O ATOM 1420 CB ALA A 448 20.500 14.713 4.888 1.00 3.41 C ATOM 0 H ALA A 448 18.770 15.897 6.178 1.00 70.44 H new ATOM 0 HA ALA A 448 19.276 13.144 5.612 1.00 73.40 H new ATOM 0 HB1 ALA A 448 21.301 14.050 4.561 1.00 3.41 H new ATOM 0 HB2 ALA A 448 19.833 14.917 4.050 1.00 3.41 H new ATOM 0 HB3 ALA A 448 20.928 15.649 5.247 1.00 3.41 H new ATOM 1426 N CYS A 449 20.798 14.566 8.113 1.00 63.23 N ATOM 1427 CA CYS A 449 21.597 14.254 9.301 1.00 24.10 C ATOM 1428 C CYS A 449 21.061 13.018 9.990 1.00 4.51 C ATOM 1429 O CYS A 449 20.006 13.043 10.626 1.00 42.34 O ATOM 1430 CB CYS A 449 21.704 15.443 10.278 1.00 43.25 C ATOM 1431 SG CYS A 449 22.885 16.759 9.792 1.00 52.42 S ATOM 0 H CYS A 449 20.378 15.496 8.114 1.00 63.23 H new ATOM 0 HA CYS A 449 22.612 14.050 8.961 1.00 24.10 H new ATOM 0 HB2 CYS A 449 20.716 15.889 10.390 1.00 43.25 H new ATOM 0 HB3 CYS A 449 21.994 15.062 11.257 1.00 43.25 H new ATOM 1436 N SER A 450 21.769 11.942 9.813 1.00 10.44 N ATOM 1437 CA SER A 450 21.391 10.667 10.300 1.00 13.44 C ATOM 1438 C SER A 450 22.607 9.929 10.850 1.00 74.12 C ATOM 1439 O SER A 450 22.656 9.686 12.072 1.00 40.01 O ATOM 1440 CB SER A 450 20.646 9.886 9.195 1.00 2.34 C ATOM 1441 OG SER A 450 21.331 9.959 7.934 1.00 54.42 O ATOM 1442 OXT SER A 450 23.566 9.679 10.075 1.00 40.01 O ATOM 0 H SER A 450 22.655 11.938 9.307 1.00 10.44 H new ATOM 0 HA SER A 450 20.697 10.773 11.133 1.00 13.44 H new ATOM 0 HB2 SER A 450 20.544 8.843 9.493 1.00 2.34 H new ATOM 0 HB3 SER A 450 19.638 10.286 9.084 1.00 2.34 H new ATOM 0 HG SER A 450 21.263 10.869 7.577 1.00 54.42 H new TER 1448 SER A 450