USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=23 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 379 TYR OH : rot 67:sc= 0.217 USER MOD Set 1.2: A 395 GLN : amide:sc= -3.27! C(o=-3!,f=-4.3!) USER MOD Set 2.1: A 363 MET CE :methyl -147:sc= -0.335 (180deg=-3.36!) USER MOD Set 2.2: A 365 THR OG1 : rot -30:sc= 0 USER MOD Set 2.3: A 426 ASN : amide:sc= -0.463 X(o=-0.8,f=-0.96) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=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 -109:sc= 0.963 USER MOD Single : A 374 TYR OH : rot 165:sc= -0.526 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN : amide:sc= -0.824 K(o=-0.82,f=-2!) USER MOD Single : A 384 GLN : amide:sc= 0.592 K(o=0.59,f=-2.5!) USER MOD Single : A 386 SER OG : rot 71:sc= 1.3 USER MOD Single : A 391 ASN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 398 ASN : amide:sc= 0.731 K(o=0.73,f=-0.09) USER MOD Single : A 401 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.056) USER MOD Single : A 402 TYR OH : rot -130:sc= -0.672 USER MOD Single : A 404 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 406 GLN : amide:sc= -0.265 K(o=-0.27,f=-3.1!) USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 410 ASN : amide:sc= -0.0265 K(o=-0.026,f=-0.65) USER MOD Single : A 413 HIS : no HE2:sc= -0.249 X(o=-0.25,f=-0.52) USER MOD Single : A 415 SER OG : rot -27:sc= 0.327 USER MOD Single : A 419 THR OG1 : rot 180:sc= -0.0615 USER MOD Single : A 430 SER OG : rot -11:sc= 0.917 USER MOD Single : A 435 GLN : amide:sc= 1.01 K(o=1,f=-0.029) USER MOD Single : A 436 LYS NZ :NH3+ 156:sc= -0.981! (180deg=-2.5!) USER MOD Single : A 439 TYR OH : rot 80:sc= 0.466 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl 159:sc= -1.02 (180deg=-3.35!) USER MOD Single : A 444 LYS NZ :NH3+ -156:sc= 1.06 (180deg=-0.713!) USER MOD Single : A 445 SER OG : rot 26:sc= 0.202! USER MOD Single : A 450 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 8.253 11.832 -2.512 1.00 23.11 N ATOM 2 CA TYR A 357 8.227 12.892 -1.498 1.00 60.11 C ATOM 3 C TYR A 357 8.671 12.388 -0.108 1.00 1.31 C ATOM 4 O TYR A 357 9.798 12.616 0.282 1.00 25.21 O ATOM 5 CB TYR A 357 6.852 13.586 -1.442 1.00 0.32 C ATOM 6 CG TYR A 357 6.782 14.755 -0.483 1.00 51.41 C ATOM 7 CD1 TYR A 357 7.536 15.893 -0.703 1.00 63.33 C ATOM 8 CD2 TYR A 357 5.955 14.728 0.626 1.00 0.50 C ATOM 9 CE1 TYR A 357 7.475 16.964 0.153 1.00 52.30 C ATOM 10 CE2 TYR A 357 5.890 15.804 1.491 1.00 64.14 C ATOM 11 CZ TYR A 357 6.650 16.916 1.248 1.00 2.23 C ATOM 12 OH TYR A 357 6.589 17.986 2.106 1.00 35.12 O ATOM 0 HA TYR A 357 8.959 13.639 -1.804 1.00 60.11 H new ATOM 0 HB2 TYR A 357 6.594 13.935 -2.442 1.00 0.32 H new ATOM 0 HB3 TYR A 357 6.099 12.852 -1.157 1.00 0.32 H new ATOM 0 HD1 TYR A 357 8.185 15.940 -1.565 1.00 63.33 H new ATOM 0 HD2 TYR A 357 5.351 13.853 0.819 1.00 0.50 H new ATOM 0 HE1 TYR A 357 8.075 17.842 -0.035 1.00 52.30 H new ATOM 0 HE2 TYR A 357 5.243 15.767 2.355 1.00 64.14 H new ATOM 0 HH TYR A 357 5.956 17.790 2.829 1.00 35.12 H new ATOM 24 N ARG A 358 7.790 11.692 0.636 1.00 21.53 N ATOM 25 CA ARG A 358 8.150 11.223 1.998 1.00 61.53 C ATOM 26 C ARG A 358 8.195 9.718 2.144 1.00 23.41 C ATOM 27 O ARG A 358 8.177 9.191 3.243 1.00 44.21 O ATOM 28 CB ARG A 358 7.299 11.876 3.087 1.00 14.03 C ATOM 29 CG ARG A 358 7.669 13.318 3.313 1.00 25.14 C ATOM 30 CD ARG A 358 6.869 13.969 4.418 1.00 72.13 C ATOM 31 NE ARG A 358 7.346 15.334 4.644 1.00 22.11 N ATOM 32 CZ ARG A 358 6.747 16.271 5.377 1.00 24.35 C ATOM 33 NH1 ARG A 358 5.550 16.050 5.925 1.00 51.30 N ATOM 34 NH2 ARG A 358 7.338 17.443 5.541 1.00 54.31 N ATOM 0 H ARG A 358 6.848 11.445 0.333 1.00 21.53 H new ATOM 0 HA ARG A 358 9.177 11.559 2.143 1.00 61.53 H new ATOM 0 HB2 ARG A 358 6.247 11.812 2.810 1.00 14.03 H new ATOM 0 HB3 ARG A 358 7.417 11.322 4.018 1.00 14.03 H new ATOM 0 HG2 ARG A 358 8.730 13.381 3.555 1.00 25.14 H new ATOM 0 HG3 ARG A 358 7.519 13.875 2.388 1.00 25.14 H new ATOM 0 HD2 ARG A 358 5.812 13.984 4.153 1.00 72.13 H new ATOM 0 HD3 ARG A 358 6.959 13.387 5.335 1.00 72.13 H new ATOM 0 HE ARG A 358 8.225 15.594 4.196 1.00 22.11 H new ATOM 0 HH11 ARG A 358 5.082 15.154 5.785 1.00 51.30 H new ATOM 0 HH12 ARG A 358 5.103 16.777 6.484 1.00 51.30 H new ATOM 0 HH21 ARG A 358 8.244 17.622 5.108 1.00 54.31 H new ATOM 0 HH22 ARG A 358 6.888 18.167 6.100 1.00 54.31 H new ATOM 46 N ALA A 359 8.301 9.047 1.057 1.00 44.23 N ATOM 47 CA ALA A 359 8.486 7.633 1.068 1.00 14.22 C ATOM 48 C ALA A 359 9.570 7.327 0.062 1.00 23.15 C ATOM 49 O ALA A 359 9.715 8.061 -0.926 1.00 71.03 O ATOM 50 CB ALA A 359 7.182 6.901 0.773 1.00 33.33 C ATOM 0 H ALA A 359 8.262 9.461 0.125 1.00 44.23 H new ATOM 0 HA ALA A 359 8.790 7.282 2.054 1.00 14.22 H new ATOM 0 HB1 ALA A 359 7.357 5.825 0.789 1.00 33.33 H new ATOM 0 HB2 ALA A 359 6.441 7.159 1.529 1.00 33.33 H new ATOM 0 HB3 ALA A 359 6.814 7.194 -0.210 1.00 33.33 H new ATOM 56 N ILE A 360 10.341 6.288 0.294 1.00 41.21 N ATOM 57 CA ILE A 360 11.486 6.019 -0.557 1.00 1.12 C ATOM 58 C ILE A 360 11.056 5.287 -1.813 1.00 11.00 C ATOM 59 O ILE A 360 10.600 4.158 -1.768 1.00 1.34 O ATOM 60 CB ILE A 360 12.579 5.197 0.181 1.00 23.41 C ATOM 61 CG1 ILE A 360 13.063 5.924 1.449 1.00 62.31 C ATOM 62 CG2 ILE A 360 13.760 4.917 -0.746 1.00 32.31 C ATOM 63 CD1 ILE A 360 13.703 7.277 1.192 1.00 42.21 C ATOM 0 H ILE A 360 10.202 5.621 1.053 1.00 41.21 H new ATOM 0 HA ILE A 360 11.916 6.983 -0.828 1.00 1.12 H new ATOM 0 HB ILE A 360 12.133 4.248 0.481 1.00 23.41 H new ATOM 0 HG12 ILE A 360 12.216 6.059 2.121 1.00 62.31 H new ATOM 0 HG13 ILE A 360 13.782 5.288 1.965 1.00 62.31 H new ATOM 0 HG21 ILE A 360 14.514 4.341 -0.210 1.00 32.31 H new ATOM 0 HG22 ILE A 360 13.417 4.350 -1.611 1.00 32.31 H new ATOM 0 HG23 ILE A 360 14.193 5.860 -1.079 1.00 32.31 H new ATOM 0 HD11 ILE A 360 14.014 7.718 2.139 1.00 42.21 H new ATOM 0 HD12 ILE A 360 14.573 7.152 0.547 1.00 42.21 H new ATOM 0 HD13 ILE A 360 12.982 7.934 0.705 1.00 42.21 H new ATOM 70 N LYS A 361 11.239 5.948 -2.918 1.00 45.41 N ATOM 71 CA LYS A 361 10.835 5.469 -4.222 1.00 50.44 C ATOM 72 C LYS A 361 11.678 4.296 -4.713 1.00 64.11 C ATOM 73 O LYS A 361 12.814 4.098 -4.273 1.00 70.21 O ATOM 74 CB LYS A 361 10.929 6.620 -5.219 1.00 1.11 C ATOM 75 CG LYS A 361 12.322 7.237 -5.308 1.00 15.24 C ATOM 76 CD LYS A 361 12.360 8.389 -6.280 1.00 54.45 C ATOM 77 CE LYS A 361 13.732 9.015 -6.331 1.00 22.32 C ATOM 78 NZ LYS A 361 13.784 10.156 -7.264 1.00 51.45 N ATOM 0 H LYS A 361 11.687 6.864 -2.945 1.00 45.41 H new ATOM 0 HA LYS A 361 9.811 5.106 -4.137 1.00 50.44 H new ATOM 0 HB2 LYS A 361 10.636 6.260 -6.205 1.00 1.11 H new ATOM 0 HB3 LYS A 361 10.215 7.394 -4.937 1.00 1.11 H new ATOM 0 HG2 LYS A 361 12.631 7.583 -4.321 1.00 15.24 H new ATOM 0 HG3 LYS A 361 13.038 6.476 -5.617 1.00 15.24 H new ATOM 0 HD2 LYS A 361 12.080 8.039 -7.274 1.00 54.45 H new ATOM 0 HD3 LYS A 361 11.626 9.139 -5.987 1.00 54.45 H new ATOM 0 HE2 LYS A 361 14.015 9.349 -5.333 1.00 22.32 H new ATOM 0 HE3 LYS A 361 14.462 8.265 -6.635 1.00 22.32 H new ATOM 0 HZ1 LYS A 361 14.744 10.557 -7.269 1.00 51.45 H new ATOM 0 HZ2 LYS A 361 13.539 9.833 -8.222 1.00 51.45 H new ATOM 0 HZ3 LYS A 361 13.106 10.884 -6.960 1.00 51.45 H new ATOM 92 N GLY A 362 11.086 3.507 -5.600 1.00 42.03 N ATOM 93 CA GLY A 362 11.796 2.450 -6.300 1.00 43.05 C ATOM 94 C GLY A 362 11.989 1.163 -5.538 1.00 1.21 C ATOM 95 O GLY A 362 12.291 0.131 -6.145 1.00 11.13 O ATOM 0 H GLY A 362 10.101 3.583 -5.853 1.00 42.03 H new ATOM 0 HA2 GLY A 362 11.257 2.226 -7.221 1.00 43.05 H new ATOM 0 HA3 GLY A 362 12.777 2.828 -6.589 1.00 43.05 H new ATOM 99 N MET A 363 11.842 1.185 -4.247 1.00 55.53 N ATOM 100 CA MET A 363 12.062 -0.026 -3.494 1.00 52.54 C ATOM 101 C MET A 363 10.777 -0.765 -3.269 1.00 64.21 C ATOM 102 O MET A 363 9.684 -0.166 -3.263 1.00 3.43 O ATOM 103 CB MET A 363 12.741 0.226 -2.151 1.00 34.32 C ATOM 104 CG MET A 363 14.080 0.929 -2.233 1.00 34.14 C ATOM 105 SD MET A 363 14.934 0.956 -0.642 1.00 33.14 S ATOM 106 CE MET A 363 13.662 1.645 0.411 1.00 33.01 C ATOM 0 H MET A 363 11.577 2.003 -3.699 1.00 55.53 H new ATOM 0 HA MET A 363 12.734 -0.635 -4.099 1.00 52.54 H new ATOM 0 HB2 MET A 363 12.073 0.821 -1.529 1.00 34.32 H new ATOM 0 HB3 MET A 363 12.880 -0.730 -1.646 1.00 34.32 H new ATOM 0 HG2 MET A 363 14.707 0.429 -2.971 1.00 34.14 H new ATOM 0 HG3 MET A 363 13.931 1.951 -2.581 1.00 34.14 H new ATOM 0 HE1 MET A 363 14.124 2.250 1.191 1.00 33.01 H new ATOM 0 HE2 MET A 363 12.995 2.268 -0.184 1.00 33.01 H new ATOM 0 HE3 MET A 363 13.091 0.837 0.869 1.00 33.01 H new ATOM 116 N GLU A 364 10.900 -2.051 -3.103 1.00 63.32 N ATOM 117 CA GLU A 364 9.788 -2.885 -2.796 1.00 41.43 C ATOM 118 C GLU A 364 9.791 -3.214 -1.315 1.00 13.43 C ATOM 119 O GLU A 364 10.845 -3.358 -0.699 1.00 21.35 O ATOM 120 CB GLU A 364 9.770 -4.164 -3.660 1.00 70.05 C ATOM 121 CG GLU A 364 11.039 -5.007 -3.607 1.00 51.42 C ATOM 122 CD GLU A 364 10.918 -6.280 -4.417 1.00 3.44 C ATOM 123 OE1 GLU A 364 10.861 -6.210 -5.670 1.00 14.53 O ATOM 124 OE2 GLU A 364 10.845 -7.374 -3.815 1.00 71.25 O ATOM 0 H GLU A 364 11.787 -2.549 -3.179 1.00 63.32 H new ATOM 0 HA GLU A 364 8.874 -2.341 -3.034 1.00 41.43 H new ATOM 0 HB2 GLU A 364 8.930 -4.783 -3.345 1.00 70.05 H new ATOM 0 HB3 GLU A 364 9.586 -3.880 -4.696 1.00 70.05 H new ATOM 0 HG2 GLU A 364 11.878 -4.420 -3.980 1.00 51.42 H new ATOM 0 HG3 GLU A 364 11.262 -5.259 -2.570 1.00 51.42 H new ATOM 131 N THR A 365 8.636 -3.250 -0.750 1.00 71.41 N ATOM 132 CA THR A 365 8.457 -3.597 0.617 1.00 53.51 C ATOM 133 C THR A 365 7.461 -4.721 0.661 1.00 24.14 C ATOM 134 O THR A 365 6.358 -4.601 0.107 1.00 30.15 O ATOM 135 CB THR A 365 7.968 -2.386 1.431 1.00 23.15 C ATOM 136 OG1 THR A 365 8.938 -1.333 1.338 1.00 20.02 O ATOM 137 CG2 THR A 365 7.753 -2.752 2.887 1.00 33.42 C ATOM 0 H THR A 365 7.767 -3.034 -1.238 1.00 71.41 H new ATOM 0 HA THR A 365 9.401 -3.910 1.063 1.00 53.51 H new ATOM 0 HB THR A 365 7.013 -2.056 1.021 1.00 23.15 H new ATOM 0 HG1 THR A 365 9.831 -1.720 1.227 1.00 20.02 H new ATOM 0 HG21 THR A 365 7.408 -1.875 3.435 1.00 33.42 H new ATOM 0 HG22 THR A 365 7.005 -3.542 2.957 1.00 33.42 H new ATOM 0 HG23 THR A 365 8.692 -3.102 3.317 1.00 33.42 H new ATOM 143 N LYS A 366 7.843 -5.806 1.256 1.00 72.51 N ATOM 144 CA LYS A 366 7.027 -6.981 1.281 1.00 63.33 C ATOM 145 C LYS A 366 6.928 -7.531 2.666 1.00 53.20 C ATOM 146 O LYS A 366 7.907 -7.503 3.421 1.00 52.33 O ATOM 147 CB LYS A 366 7.608 -8.035 0.364 1.00 63.42 C ATOM 148 CG LYS A 366 7.721 -7.588 -1.064 1.00 23.34 C ATOM 149 CD LYS A 366 8.334 -8.640 -1.974 1.00 30.04 C ATOM 150 CE LYS A 366 7.435 -9.854 -2.135 1.00 53.04 C ATOM 151 NZ LYS A 366 8.018 -10.878 -3.029 1.00 44.54 N ATOM 0 H LYS A 366 8.735 -5.904 1.741 1.00 72.51 H new ATOM 0 HA LYS A 366 6.029 -6.707 0.939 1.00 63.33 H new ATOM 0 HB2 LYS A 366 8.596 -8.317 0.728 1.00 63.42 H new ATOM 0 HB3 LYS A 366 6.985 -8.928 0.409 1.00 63.42 H new ATOM 0 HG2 LYS A 366 6.730 -7.328 -1.436 1.00 23.34 H new ATOM 0 HG3 LYS A 366 8.326 -6.682 -1.108 1.00 23.34 H new ATOM 0 HD2 LYS A 366 8.529 -8.202 -2.953 1.00 30.04 H new ATOM 0 HD3 LYS A 366 9.296 -8.954 -1.568 1.00 30.04 H new ATOM 0 HE2 LYS A 366 7.248 -10.295 -1.156 1.00 53.04 H new ATOM 0 HE3 LYS A 366 6.470 -9.537 -2.532 1.00 53.04 H new ATOM 0 HZ1 LYS A 366 7.366 -11.685 -3.105 1.00 44.54 H new ATOM 0 HZ2 LYS A 366 8.173 -10.468 -3.972 1.00 44.54 H new ATOM 0 HZ3 LYS A 366 8.926 -11.203 -2.639 1.00 44.54 H new ATOM 165 N ARG A 367 5.762 -8.029 3.011 1.00 63.45 N ATOM 166 CA ARG A 367 5.554 -8.603 4.311 1.00 33.03 C ATOM 167 C ARG A 367 4.316 -9.507 4.255 1.00 32.14 C ATOM 168 O ARG A 367 3.302 -9.139 3.655 1.00 23.23 O ATOM 169 CB ARG A 367 5.450 -7.449 5.354 1.00 14.21 C ATOM 170 CG ARG A 367 5.488 -7.809 6.847 1.00 2.52 C ATOM 171 CD ARG A 367 4.197 -8.346 7.408 1.00 62.42 C ATOM 172 NE ARG A 367 4.298 -8.517 8.874 1.00 0.13 N ATOM 173 CZ ARG A 367 3.356 -9.026 9.687 1.00 12.14 C ATOM 174 NH1 ARG A 367 2.285 -9.630 9.188 1.00 51.44 N ATOM 175 NH2 ARG A 367 3.527 -8.978 11.002 1.00 50.01 N ATOM 0 H ARG A 367 4.943 -8.046 2.403 1.00 63.45 H new ATOM 0 HA ARG A 367 6.387 -9.232 4.623 1.00 33.03 H new ATOM 0 HB2 ARG A 367 6.265 -6.751 5.160 1.00 14.21 H new ATOM 0 HB3 ARG A 367 4.520 -6.913 5.165 1.00 14.21 H new ATOM 0 HG2 ARG A 367 6.271 -8.550 7.006 1.00 2.52 H new ATOM 0 HG3 ARG A 367 5.770 -6.921 7.412 1.00 2.52 H new ATOM 0 HD2 ARG A 367 3.380 -7.664 7.171 1.00 62.42 H new ATOM 0 HD3 ARG A 367 3.961 -9.302 6.940 1.00 62.42 H new ATOM 0 HE ARG A 367 5.170 -8.219 9.312 1.00 0.13 H new ATOM 0 HH11 ARG A 367 2.170 -9.712 8.178 1.00 51.44 H new ATOM 0 HH12 ARG A 367 1.577 -10.012 9.815 1.00 51.44 H new ATOM 0 HH21 ARG A 367 4.370 -8.556 11.392 1.00 50.01 H new ATOM 0 HH22 ARG A 367 2.815 -9.363 11.623 1.00 50.01 H new ATOM 187 N GLU A 368 4.420 -10.688 4.841 1.00 52.23 N ATOM 188 CA GLU A 368 3.335 -11.673 4.814 1.00 55.24 C ATOM 189 C GLU A 368 2.298 -11.319 5.828 1.00 61.44 C ATOM 190 O GLU A 368 2.599 -11.187 6.998 1.00 51.33 O ATOM 191 CB GLU A 368 3.827 -13.113 5.080 1.00 52.44 C ATOM 192 CG GLU A 368 4.733 -13.739 4.010 1.00 23.22 C ATOM 193 CD GLU A 368 6.021 -13.000 3.762 1.00 11.33 C ATOM 194 OE1 GLU A 368 6.972 -13.148 4.545 1.00 44.11 O ATOM 195 OE2 GLU A 368 6.110 -12.275 2.762 1.00 10.22 O ATOM 0 H GLU A 368 5.250 -10.996 5.347 1.00 52.23 H new ATOM 0 HA GLU A 368 2.914 -11.646 3.809 1.00 55.24 H new ATOM 0 HB2 GLU A 368 4.365 -13.119 6.028 1.00 52.44 H new ATOM 0 HB3 GLU A 368 2.954 -13.754 5.204 1.00 52.44 H new ATOM 0 HG2 GLU A 368 4.968 -14.761 4.306 1.00 23.22 H new ATOM 0 HG3 GLU A 368 4.178 -13.798 3.074 1.00 23.22 H new ATOM 202 N ILE A 369 1.086 -11.153 5.390 1.00 30.13 N ATOM 203 CA ILE A 369 0.026 -10.773 6.262 1.00 70.42 C ATOM 204 C ILE A 369 -1.145 -11.633 5.918 1.00 14.52 C ATOM 205 O ILE A 369 -1.526 -11.701 4.764 1.00 3.35 O ATOM 206 CB ILE A 369 -0.351 -9.295 6.041 1.00 13.11 C ATOM 207 CG1 ILE A 369 0.895 -8.426 6.114 1.00 22.14 C ATOM 208 CG2 ILE A 369 -1.334 -8.864 7.109 1.00 52.51 C ATOM 209 CD1 ILE A 369 0.684 -7.014 5.695 1.00 21.21 C ATOM 0 H ILE A 369 0.808 -11.278 4.417 1.00 30.13 H new ATOM 0 HA ILE A 369 0.326 -10.896 7.303 1.00 70.42 H new ATOM 0 HB ILE A 369 -0.806 -9.182 5.057 1.00 13.11 H new ATOM 0 HG12 ILE A 369 1.271 -8.436 7.137 1.00 22.14 H new ATOM 0 HG13 ILE A 369 1.668 -8.867 5.485 1.00 22.14 H new ATOM 0 HG21 ILE A 369 -1.603 -7.819 6.956 1.00 52.51 H new ATOM 0 HG22 ILE A 369 -2.230 -9.482 7.049 1.00 52.51 H new ATOM 0 HG23 ILE A 369 -0.878 -8.981 8.092 1.00 52.51 H new ATOM 0 HD11 ILE A 369 1.622 -6.466 5.778 1.00 21.21 H new ATOM 0 HD12 ILE A 369 0.339 -6.989 4.661 1.00 21.21 H new ATOM 0 HD13 ILE A 369 -0.064 -6.551 6.339 1.00 21.21 H new ATOM 216 N GLY A 370 -1.673 -12.337 6.888 1.00 50.14 N ATOM 217 CA GLY A 370 -2.784 -13.235 6.628 1.00 53.44 C ATOM 218 C GLY A 370 -2.378 -14.406 5.740 1.00 20.42 C ATOM 219 O GLY A 370 -3.222 -15.116 5.209 1.00 72.12 O ATOM 0 H GLY A 370 -1.359 -12.311 7.858 1.00 50.14 H new ATOM 0 HA2 GLY A 370 -3.172 -13.615 7.573 1.00 53.44 H new ATOM 0 HA3 GLY A 370 -3.593 -12.682 6.151 1.00 53.44 H new ATOM 223 N GLY A 371 -1.079 -14.585 5.569 1.00 74.02 N ATOM 224 CA GLY A 371 -0.578 -15.668 4.783 1.00 33.04 C ATOM 225 C GLY A 371 -0.049 -15.231 3.445 1.00 42.12 C ATOM 226 O GLY A 371 0.807 -15.901 2.859 1.00 53.14 O ATOM 0 H GLY A 371 -0.360 -13.984 5.972 1.00 74.02 H new ATOM 0 HA2 GLY A 371 0.216 -16.172 5.334 1.00 33.04 H new ATOM 0 HA3 GLY A 371 -1.374 -16.398 4.632 1.00 33.04 H new ATOM 230 N TYR A 372 -0.524 -14.113 2.966 1.00 54.42 N ATOM 231 CA TYR A 372 -0.155 -13.624 1.677 1.00 25.42 C ATOM 232 C TYR A 372 0.837 -12.497 1.813 1.00 22.35 C ATOM 233 O TYR A 372 0.803 -11.747 2.779 1.00 71.52 O ATOM 234 CB TYR A 372 -1.412 -13.203 0.897 1.00 61.22 C ATOM 235 CG TYR A 372 -2.332 -12.275 1.657 1.00 33.14 C ATOM 236 CD1 TYR A 372 -2.059 -10.938 1.756 1.00 24.25 C ATOM 237 CD2 TYR A 372 -3.481 -12.759 2.275 1.00 64.21 C ATOM 238 CE1 TYR A 372 -2.889 -10.095 2.442 1.00 21.32 C ATOM 239 CE2 TYR A 372 -4.323 -11.916 2.969 1.00 25.12 C ATOM 240 CZ TYR A 372 -4.020 -10.581 3.046 1.00 64.10 C ATOM 241 OH TYR A 372 -4.851 -9.719 3.728 1.00 75.04 O ATOM 0 H TYR A 372 -1.182 -13.516 3.467 1.00 54.42 H new ATOM 0 HA TYR A 372 0.333 -14.416 1.109 1.00 25.42 H new ATOM 0 HB2 TYR A 372 -1.105 -12.715 -0.028 1.00 61.22 H new ATOM 0 HB3 TYR A 372 -1.968 -14.097 0.616 1.00 61.22 H new ATOM 0 HD1 TYR A 372 -1.172 -10.541 1.284 1.00 24.25 H new ATOM 0 HD2 TYR A 372 -3.717 -13.811 2.210 1.00 64.21 H new ATOM 0 HE1 TYR A 372 -2.653 -9.043 2.508 1.00 21.32 H new ATOM 0 HE2 TYR A 372 -5.211 -12.303 3.447 1.00 25.12 H new ATOM 0 HH TYR A 372 -5.609 -10.219 4.097 1.00 75.04 H new ATOM 251 N THR A 373 1.716 -12.392 0.881 1.00 2.42 N ATOM 252 CA THR A 373 2.723 -11.383 0.925 1.00 14.24 C ATOM 253 C THR A 373 2.223 -10.091 0.315 1.00 31.21 C ATOM 254 O THR A 373 1.780 -10.068 -0.824 1.00 22.41 O ATOM 255 CB THR A 373 3.985 -11.856 0.194 1.00 22.11 C ATOM 256 OG1 THR A 373 4.460 -13.060 0.810 1.00 3.21 O ATOM 257 CG2 THR A 373 5.073 -10.808 0.254 1.00 51.10 C ATOM 0 H THR A 373 1.761 -13.002 0.064 1.00 2.42 H new ATOM 0 HA THR A 373 2.968 -11.196 1.971 1.00 14.24 H new ATOM 0 HB THR A 373 3.733 -12.035 -0.851 1.00 22.11 H new ATOM 0 HG1 THR A 373 5.287 -12.872 1.301 1.00 3.21 H new ATOM 0 HG21 THR A 373 5.956 -11.170 -0.272 1.00 51.10 H new ATOM 0 HG22 THR A 373 4.721 -9.890 -0.217 1.00 51.10 H new ATOM 0 HG23 THR A 373 5.328 -10.607 1.295 1.00 51.10 H new ATOM 263 N TYR A 374 2.283 -9.037 1.069 1.00 20.24 N ATOM 264 CA TYR A 374 1.931 -7.759 0.564 1.00 34.24 C ATOM 265 C TYR A 374 3.151 -7.107 0.002 1.00 24.22 C ATOM 266 O TYR A 374 4.202 -7.154 0.618 1.00 11.15 O ATOM 267 CB TYR A 374 1.340 -6.892 1.650 1.00 53.44 C ATOM 268 CG TYR A 374 -0.094 -6.594 1.404 1.00 31.35 C ATOM 269 CD1 TYR A 374 -0.450 -5.728 0.386 1.00 43.02 C ATOM 270 CD2 TYR A 374 -1.096 -7.172 2.158 1.00 52.25 C ATOM 271 CE1 TYR A 374 -1.743 -5.439 0.123 1.00 51.54 C ATOM 272 CE2 TYR A 374 -2.423 -6.878 1.892 1.00 5.00 C ATOM 273 CZ TYR A 374 -2.738 -6.014 0.879 1.00 64.31 C ATOM 274 OH TYR A 374 -4.057 -5.731 0.615 1.00 32.14 O ATOM 0 H TYR A 374 2.577 -9.044 2.046 1.00 20.24 H new ATOM 0 HA TYR A 374 1.179 -7.882 -0.216 1.00 34.24 H new ATOM 0 HB2 TYR A 374 1.446 -7.393 2.612 1.00 53.44 H new ATOM 0 HB3 TYR A 374 1.899 -5.958 1.713 1.00 53.44 H new ATOM 0 HD1 TYR A 374 0.324 -5.272 -0.213 1.00 43.02 H new ATOM 0 HD2 TYR A 374 -0.845 -7.854 2.956 1.00 52.25 H new ATOM 0 HE1 TYR A 374 -1.995 -4.759 -0.678 1.00 51.54 H new ATOM 0 HE2 TYR A 374 -3.207 -7.329 2.482 1.00 5.00 H new ATOM 0 HH TYR A 374 -4.629 -6.387 1.066 1.00 32.14 H new ATOM 284 N LYS A 375 3.030 -6.528 -1.159 1.00 10.03 N ATOM 285 CA LYS A 375 4.161 -5.904 -1.793 1.00 52.42 C ATOM 286 C LYS A 375 3.804 -4.528 -2.230 1.00 43.01 C ATOM 287 O LYS A 375 2.834 -4.339 -2.948 1.00 21.12 O ATOM 288 CB LYS A 375 4.633 -6.688 -3.025 1.00 64.52 C ATOM 289 CG LYS A 375 5.922 -6.118 -3.625 1.00 33.42 C ATOM 290 CD LYS A 375 6.318 -6.813 -4.900 1.00 2.43 C ATOM 291 CE LYS A 375 5.426 -6.410 -6.059 1.00 14.32 C ATOM 292 NZ LYS A 375 5.808 -7.109 -7.301 1.00 21.00 N ATOM 0 H LYS A 375 2.159 -6.474 -1.688 1.00 10.03 H new ATOM 0 HA LYS A 375 4.966 -5.882 -1.058 1.00 52.42 H new ATOM 0 HB2 LYS A 375 4.795 -7.730 -2.749 1.00 64.52 H new ATOM 0 HB3 LYS A 375 3.848 -6.677 -3.781 1.00 64.52 H new ATOM 0 HG2 LYS A 375 5.789 -5.054 -3.821 1.00 33.42 H new ATOM 0 HG3 LYS A 375 6.729 -6.210 -2.898 1.00 33.42 H new ATOM 0 HD2 LYS A 375 7.354 -6.574 -5.138 1.00 2.43 H new ATOM 0 HD3 LYS A 375 6.265 -7.892 -4.758 1.00 2.43 H new ATOM 0 HE2 LYS A 375 4.388 -6.637 -5.817 1.00 14.32 H new ATOM 0 HE3 LYS A 375 5.490 -5.333 -6.212 1.00 14.32 H new ATOM 0 HZ1 LYS A 375 5.179 -6.812 -8.074 1.00 21.00 H new ATOM 0 HZ2 LYS A 375 6.791 -6.873 -7.544 1.00 21.00 H new ATOM 0 HZ3 LYS A 375 5.723 -8.136 -7.161 1.00 21.00 H new ATOM 306 N VAL A 376 4.567 -3.587 -1.816 1.00 52.30 N ATOM 307 CA VAL A 376 4.384 -2.235 -2.243 1.00 74.22 C ATOM 308 C VAL A 376 5.661 -1.733 -2.894 1.00 45.20 C ATOM 309 O VAL A 376 6.733 -1.754 -2.282 1.00 41.40 O ATOM 310 CB VAL A 376 3.937 -1.303 -1.059 1.00 1.01 C ATOM 311 CG1 VAL A 376 4.912 -1.358 0.083 1.00 13.01 C ATOM 312 CG2 VAL A 376 3.752 0.139 -1.519 1.00 63.42 C ATOM 0 H VAL A 376 5.343 -3.724 -1.168 1.00 52.30 H new ATOM 0 HA VAL A 376 3.578 -2.209 -2.977 1.00 74.22 H new ATOM 0 HB VAL A 376 2.975 -1.678 -0.709 1.00 1.01 H new ATOM 0 HG11 VAL A 376 4.572 -0.702 0.884 1.00 13.01 H new ATOM 0 HG12 VAL A 376 4.979 -2.380 0.455 1.00 13.01 H new ATOM 0 HG13 VAL A 376 5.894 -1.032 -0.261 1.00 13.01 H new ATOM 0 HG21 VAL A 376 3.443 0.754 -0.674 1.00 63.42 H new ATOM 0 HG22 VAL A 376 4.693 0.517 -1.918 1.00 63.42 H new ATOM 0 HG23 VAL A 376 2.987 0.178 -2.295 1.00 63.42 H new ATOM 318 N VAL A 377 5.578 -1.370 -4.150 1.00 44.11 N ATOM 319 CA VAL A 377 6.704 -0.784 -4.808 1.00 4.54 C ATOM 320 C VAL A 377 6.405 0.676 -4.952 1.00 31.33 C ATOM 321 O VAL A 377 5.440 1.064 -5.638 1.00 22.13 O ATOM 322 CB VAL A 377 6.981 -1.415 -6.195 1.00 4.03 C ATOM 323 CG1 VAL A 377 8.228 -0.797 -6.828 1.00 4.33 C ATOM 324 CG2 VAL A 377 7.145 -2.918 -6.064 1.00 4.20 C ATOM 0 H VAL A 377 4.744 -1.472 -4.729 1.00 44.11 H new ATOM 0 HA VAL A 377 7.603 -0.960 -4.217 1.00 4.54 H new ATOM 0 HB VAL A 377 6.130 -1.211 -6.844 1.00 4.03 H new ATOM 0 HG11 VAL A 377 8.406 -1.253 -7.802 1.00 4.33 H new ATOM 0 HG12 VAL A 377 8.080 0.276 -6.952 1.00 4.33 H new ATOM 0 HG13 VAL A 377 9.089 -0.972 -6.182 1.00 4.33 H new ATOM 0 HG21 VAL A 377 7.339 -3.350 -7.046 1.00 4.20 H new ATOM 0 HG22 VAL A 377 7.981 -3.136 -5.400 1.00 4.20 H new ATOM 0 HG23 VAL A 377 6.232 -3.349 -5.652 1.00 4.20 H new ATOM 330 N PHE A 378 7.209 1.481 -4.319 1.00 44.42 N ATOM 331 CA PHE A 378 6.963 2.892 -4.237 1.00 41.22 C ATOM 332 C PHE A 378 6.936 3.604 -5.565 1.00 23.51 C ATOM 333 O PHE A 378 7.869 3.504 -6.380 1.00 31.20 O ATOM 334 CB PHE A 378 7.879 3.565 -3.247 1.00 2.22 C ATOM 335 CG PHE A 378 7.620 3.151 -1.831 1.00 21.22 C ATOM 336 CD1 PHE A 378 6.649 3.793 -1.090 1.00 51.12 C ATOM 337 CD2 PHE A 378 8.346 2.128 -1.239 1.00 2.41 C ATOM 338 CE1 PHE A 378 6.400 3.432 0.214 1.00 35.20 C ATOM 339 CE2 PHE A 378 8.102 1.760 0.066 1.00 0.30 C ATOM 340 CZ PHE A 378 7.129 2.414 0.793 1.00 72.04 C ATOM 0 H PHE A 378 8.058 1.176 -3.843 1.00 44.42 H new ATOM 0 HA PHE A 378 5.944 2.978 -3.860 1.00 41.22 H new ATOM 0 HB2 PHE A 378 8.913 3.335 -3.503 1.00 2.22 H new ATOM 0 HB3 PHE A 378 7.763 4.646 -3.330 1.00 2.22 H new ATOM 0 HD1 PHE A 378 6.076 4.590 -1.540 1.00 51.12 H new ATOM 0 HD2 PHE A 378 9.109 1.616 -1.806 1.00 2.41 H new ATOM 0 HE1 PHE A 378 5.637 3.943 0.782 1.00 35.20 H new ATOM 0 HE2 PHE A 378 8.671 0.961 0.519 1.00 0.30 H new ATOM 0 HZ PHE A 378 6.938 2.129 1.817 1.00 72.04 H new ATOM 350 N TYR A 379 5.828 4.323 -5.757 1.00 1.42 N ATOM 351 CA TYR A 379 5.524 5.123 -6.934 1.00 40.01 C ATOM 352 C TYR A 379 5.216 4.269 -8.153 1.00 64.11 C ATOM 353 O TYR A 379 5.129 4.765 -9.271 1.00 72.13 O ATOM 354 CB TYR A 379 6.590 6.211 -7.172 1.00 24.10 C ATOM 355 CG TYR A 379 6.643 7.176 -5.997 1.00 1.03 C ATOM 356 CD1 TYR A 379 5.786 8.263 -5.932 1.00 23.11 C ATOM 357 CD2 TYR A 379 7.510 6.964 -4.930 1.00 53.45 C ATOM 358 CE1 TYR A 379 5.801 9.114 -4.846 1.00 63.21 C ATOM 359 CE2 TYR A 379 7.521 7.804 -3.834 1.00 42.02 C ATOM 360 CZ TYR A 379 6.672 8.873 -3.795 1.00 0.24 C ATOM 361 OH TYR A 379 6.660 9.696 -2.682 1.00 25.32 O ATOM 0 H TYR A 379 5.085 4.362 -5.059 1.00 1.42 H new ATOM 0 HA TYR A 379 4.597 5.662 -6.738 1.00 40.01 H new ATOM 0 HB2 TYR A 379 7.566 5.747 -7.312 1.00 24.10 H new ATOM 0 HB3 TYR A 379 6.362 6.757 -8.088 1.00 24.10 H new ATOM 0 HD1 TYR A 379 5.097 8.447 -6.743 1.00 23.11 H new ATOM 0 HD2 TYR A 379 8.189 6.125 -4.959 1.00 53.45 H new ATOM 0 HE1 TYR A 379 5.136 9.965 -4.815 1.00 63.21 H new ATOM 0 HE2 TYR A 379 8.197 7.617 -3.013 1.00 42.02 H new ATOM 0 HH TYR A 379 5.814 9.583 -2.200 1.00 25.32 H new ATOM 371 N GLU A 380 4.977 2.985 -7.909 1.00 42.55 N ATOM 372 CA GLU A 380 4.641 2.062 -8.968 1.00 42.40 C ATOM 373 C GLU A 380 3.334 1.313 -8.742 1.00 71.01 C ATOM 374 O GLU A 380 2.295 1.670 -9.323 1.00 43.43 O ATOM 375 CB GLU A 380 5.787 1.093 -9.261 1.00 73.13 C ATOM 376 CG GLU A 380 6.962 1.751 -9.940 1.00 70.32 C ATOM 377 CD GLU A 380 8.103 0.816 -10.216 1.00 31.13 C ATOM 378 OE1 GLU A 380 8.012 0.029 -11.190 1.00 14.12 O ATOM 379 OE2 GLU A 380 9.119 0.877 -9.501 1.00 73.23 O ATOM 0 H GLU A 380 5.012 2.566 -6.980 1.00 42.55 H new ATOM 0 HA GLU A 380 4.483 2.683 -9.849 1.00 42.40 H new ATOM 0 HB2 GLU A 380 6.121 0.642 -8.326 1.00 73.13 H new ATOM 0 HB3 GLU A 380 5.418 0.284 -9.891 1.00 73.13 H new ATOM 0 HG2 GLU A 380 6.628 2.189 -10.880 1.00 70.32 H new ATOM 0 HG3 GLU A 380 7.319 2.570 -9.316 1.00 70.32 H new ATOM 386 N ASN A 381 3.361 0.310 -7.882 1.00 42.00 N ATOM 387 CA ASN A 381 2.212 -0.584 -7.731 1.00 62.41 C ATOM 388 C ASN A 381 2.256 -1.396 -6.434 1.00 20.44 C ATOM 389 O ASN A 381 3.303 -1.514 -5.788 1.00 12.41 O ATOM 390 CB ASN A 381 2.122 -1.504 -8.978 1.00 24.41 C ATOM 391 CG ASN A 381 3.450 -2.204 -9.308 1.00 73.42 C ATOM 392 OD1 ASN A 381 4.234 -2.559 -8.425 1.00 33.43 O ATOM 393 ND2 ASN A 381 3.732 -2.352 -10.584 1.00 23.45 N ATOM 0 H ASN A 381 4.155 0.090 -7.280 1.00 42.00 H new ATOM 0 HA ASN A 381 1.312 0.026 -7.660 1.00 62.41 H new ATOM 0 HB2 ASN A 381 1.353 -2.258 -8.811 1.00 24.41 H new ATOM 0 HB3 ASN A 381 1.807 -0.912 -9.837 1.00 24.41 H new ATOM 0 HD21 ASN A 381 4.619 -2.770 -10.865 1.00 23.45 H new ATOM 0 HD22 ASN A 381 3.064 -2.049 -11.292 1.00 23.45 H new ATOM 399 N VAL A 382 1.097 -1.914 -6.043 1.00 42.54 N ATOM 400 CA VAL A 382 0.953 -2.748 -4.854 1.00 24.31 C ATOM 401 C VAL A 382 0.357 -4.087 -5.255 1.00 53.12 C ATOM 402 O VAL A 382 -0.537 -4.145 -6.106 1.00 51.21 O ATOM 403 CB VAL A 382 0.041 -2.082 -3.764 1.00 50.24 C ATOM 404 CG1 VAL A 382 -0.136 -2.982 -2.542 1.00 61.14 C ATOM 405 CG2 VAL A 382 0.618 -0.773 -3.324 1.00 61.43 C ATOM 0 H VAL A 382 0.223 -1.766 -6.547 1.00 42.54 H new ATOM 0 HA VAL A 382 1.944 -2.878 -4.419 1.00 24.31 H new ATOM 0 HB VAL A 382 -0.935 -1.923 -4.222 1.00 50.24 H new ATOM 0 HG11 VAL A 382 -0.774 -2.483 -1.812 1.00 61.14 H new ATOM 0 HG12 VAL A 382 -0.598 -3.921 -2.846 1.00 61.14 H new ATOM 0 HG13 VAL A 382 0.837 -3.184 -2.095 1.00 61.14 H new ATOM 0 HG21 VAL A 382 -0.028 -0.326 -2.568 1.00 61.43 H new ATOM 0 HG22 VAL A 382 1.610 -0.936 -2.903 1.00 61.43 H new ATOM 0 HG23 VAL A 382 0.693 -0.102 -4.180 1.00 61.43 H new ATOM 411 N PHE A 383 0.848 -5.139 -4.658 1.00 1.14 N ATOM 412 CA PHE A 383 0.399 -6.479 -4.935 1.00 5.54 C ATOM 413 C PHE A 383 0.142 -7.258 -3.670 1.00 30.15 C ATOM 414 O PHE A 383 0.791 -7.046 -2.650 1.00 72.54 O ATOM 415 CB PHE A 383 1.418 -7.242 -5.799 1.00 4.15 C ATOM 416 CG PHE A 383 1.461 -6.823 -7.240 1.00 45.12 C ATOM 417 CD1 PHE A 383 2.214 -5.740 -7.653 1.00 22.43 C ATOM 418 CD2 PHE A 383 0.736 -7.523 -8.184 1.00 54.14 C ATOM 419 CE1 PHE A 383 2.238 -5.368 -8.979 1.00 23.23 C ATOM 420 CE2 PHE A 383 0.756 -7.155 -9.508 1.00 5.31 C ATOM 421 CZ PHE A 383 1.508 -6.079 -9.909 1.00 0.14 C ATOM 0 H PHE A 383 1.584 -5.090 -3.953 1.00 1.14 H new ATOM 0 HA PHE A 383 -0.538 -6.383 -5.483 1.00 5.54 H new ATOM 0 HB2 PHE A 383 2.410 -7.110 -5.367 1.00 4.15 H new ATOM 0 HB3 PHE A 383 1.189 -8.307 -5.751 1.00 4.15 H new ATOM 0 HD1 PHE A 383 2.789 -5.181 -6.930 1.00 22.43 H new ATOM 0 HD2 PHE A 383 0.144 -8.373 -7.877 1.00 54.14 H new ATOM 0 HE1 PHE A 383 2.829 -4.519 -9.291 1.00 23.23 H new ATOM 0 HE2 PHE A 383 0.180 -7.712 -10.232 1.00 5.31 H new ATOM 0 HZ PHE A 383 1.528 -5.790 -10.949 1.00 0.14 H new ATOM 431 N GLN A 384 -0.819 -8.127 -3.743 1.00 43.23 N ATOM 432 CA GLN A 384 -1.102 -9.075 -2.711 1.00 1.35 C ATOM 433 C GLN A 384 -0.756 -10.411 -3.295 1.00 15.01 C ATOM 434 O GLN A 384 -1.514 -10.947 -4.112 1.00 13.43 O ATOM 435 CB GLN A 384 -2.577 -9.042 -2.326 1.00 71.52 C ATOM 436 CG GLN A 384 -2.964 -9.996 -1.212 1.00 62.13 C ATOM 437 CD GLN A 384 -4.453 -9.985 -0.951 1.00 24.33 C ATOM 438 OE1 GLN A 384 -5.213 -10.738 -1.561 1.00 23.20 O ATOM 439 NE2 GLN A 384 -4.878 -9.145 -0.054 1.00 53.22 N ATOM 0 H GLN A 384 -1.445 -8.198 -4.545 1.00 43.23 H new ATOM 0 HA GLN A 384 -0.535 -8.857 -1.806 1.00 1.35 H new ATOM 0 HB2 GLN A 384 -2.837 -8.028 -2.023 1.00 71.52 H new ATOM 0 HB3 GLN A 384 -3.174 -9.274 -3.208 1.00 71.52 H new ATOM 0 HG2 GLN A 384 -2.649 -11.006 -1.474 1.00 62.13 H new ATOM 0 HG3 GLN A 384 -2.434 -9.723 -0.300 1.00 62.13 H new ATOM 0 HE21 GLN A 384 -4.217 -8.538 0.430 1.00 53.22 H new ATOM 0 HE22 GLN A 384 -5.873 -9.094 0.166 1.00 53.22 H new ATOM 447 N ASP A 385 0.404 -10.912 -2.925 1.00 63.01 N ATOM 448 CA ASP A 385 0.987 -12.134 -3.476 1.00 70.10 C ATOM 449 C ASP A 385 1.382 -11.916 -4.931 1.00 13.22 C ATOM 450 O ASP A 385 2.532 -11.571 -5.237 1.00 74.21 O ATOM 451 CB ASP A 385 0.041 -13.330 -3.356 1.00 73.34 C ATOM 452 CG ASP A 385 0.666 -14.616 -3.862 1.00 75.15 C ATOM 453 OD1 ASP A 385 1.357 -15.296 -3.091 1.00 24.30 O ATOM 454 OD2 ASP A 385 0.472 -14.956 -5.050 1.00 51.30 O ATOM 0 H ASP A 385 0.989 -10.474 -2.214 1.00 63.01 H new ATOM 0 HA ASP A 385 1.876 -12.365 -2.890 1.00 70.10 H new ATOM 0 HB2 ASP A 385 -0.250 -13.456 -2.313 1.00 73.34 H new ATOM 0 HB3 ASP A 385 -0.870 -13.127 -3.918 1.00 73.34 H new ATOM 459 N SER A 386 0.412 -12.076 -5.805 1.00 61.33 N ATOM 460 CA SER A 386 0.583 -11.875 -7.213 1.00 1.44 C ATOM 461 C SER A 386 -0.603 -11.061 -7.740 1.00 43.55 C ATOM 462 O SER A 386 -0.622 -10.641 -8.905 1.00 65.41 O ATOM 463 CB SER A 386 0.634 -13.232 -7.925 1.00 55.25 C ATOM 464 OG SER A 386 1.608 -14.094 -7.325 1.00 10.05 O ATOM 0 H SER A 386 -0.534 -12.355 -5.543 1.00 61.33 H new ATOM 0 HA SER A 386 1.514 -11.340 -7.402 1.00 1.44 H new ATOM 0 HB2 SER A 386 -0.348 -13.704 -7.885 1.00 55.25 H new ATOM 0 HB3 SER A 386 0.874 -13.085 -8.978 1.00 55.25 H new ATOM 0 HG SER A 386 1.290 -14.383 -6.444 1.00 10.05 H new ATOM 470 N ILE A 387 -1.590 -10.830 -6.867 1.00 23.44 N ATOM 471 CA ILE A 387 -2.789 -10.088 -7.241 1.00 74.22 C ATOM 472 C ILE A 387 -2.501 -8.597 -7.207 1.00 73.35 C ATOM 473 O ILE A 387 -1.903 -8.102 -6.251 1.00 21.03 O ATOM 474 CB ILE A 387 -3.989 -10.422 -6.289 1.00 21.35 C ATOM 475 CG1 ILE A 387 -4.371 -11.906 -6.384 1.00 74.21 C ATOM 476 CG2 ILE A 387 -5.206 -9.531 -6.557 1.00 3.54 C ATOM 477 CD1 ILE A 387 -4.790 -12.363 -7.775 1.00 23.54 C ATOM 0 H ILE A 387 -1.578 -11.148 -5.898 1.00 23.44 H new ATOM 0 HA ILE A 387 -3.070 -10.384 -8.252 1.00 74.22 H new ATOM 0 HB ILE A 387 -3.654 -10.215 -5.272 1.00 21.35 H new ATOM 0 HG12 ILE A 387 -3.523 -12.508 -6.058 1.00 74.21 H new ATOM 0 HG13 ILE A 387 -5.188 -12.103 -5.689 1.00 74.21 H new ATOM 0 HG21 ILE A 387 -6.011 -9.800 -5.873 1.00 3.54 H new ATOM 0 HG22 ILE A 387 -4.933 -8.487 -6.404 1.00 3.54 H new ATOM 0 HG23 ILE A 387 -5.541 -9.672 -7.585 1.00 3.54 H new ATOM 0 HD11 ILE A 387 -5.042 -13.423 -7.749 1.00 23.54 H new ATOM 0 HD12 ILE A 387 -5.659 -11.791 -8.099 1.00 23.54 H new ATOM 0 HD13 ILE A 387 -3.969 -12.202 -8.474 1.00 23.54 H new ATOM 484 N LEU A 388 -2.930 -7.884 -8.231 1.00 12.11 N ATOM 485 CA LEU A 388 -2.695 -6.463 -8.299 1.00 1.44 C ATOM 486 C LEU A 388 -3.657 -5.762 -7.379 1.00 73.24 C ATOM 487 O LEU A 388 -4.861 -5.793 -7.577 1.00 55.02 O ATOM 488 CB LEU A 388 -2.847 -5.952 -9.741 1.00 15.13 C ATOM 489 CG LEU A 388 -2.698 -4.435 -9.943 1.00 25.33 C ATOM 490 CD1 LEU A 388 -1.330 -3.943 -9.496 1.00 3.24 C ATOM 491 CD2 LEU A 388 -2.966 -4.054 -11.390 1.00 3.14 C ATOM 0 H LEU A 388 -3.442 -8.269 -9.024 1.00 12.11 H new ATOM 0 HA LEU A 388 -1.674 -6.251 -7.983 1.00 1.44 H new ATOM 0 HB2 LEU A 388 -2.106 -6.455 -10.363 1.00 15.13 H new ATOM 0 HB3 LEU A 388 -3.828 -6.252 -10.109 1.00 15.13 H new ATOM 0 HG LEU A 388 -3.443 -3.944 -9.317 1.00 25.33 H new ATOM 0 HD11 LEU A 388 -1.261 -2.867 -9.654 1.00 3.24 H new ATOM 0 HD12 LEU A 388 -1.192 -4.164 -8.438 1.00 3.24 H new ATOM 0 HD13 LEU A 388 -0.555 -4.445 -10.076 1.00 3.24 H new ATOM 0 HD21 LEU A 388 -2.855 -2.976 -11.509 1.00 3.14 H new ATOM 0 HD22 LEU A 388 -2.255 -4.566 -12.039 1.00 3.14 H new ATOM 0 HD23 LEU A 388 -3.980 -4.346 -11.661 1.00 3.14 H new ATOM 499 N LEU A 389 -3.133 -5.163 -6.365 1.00 64.32 N ATOM 500 CA LEU A 389 -3.915 -4.528 -5.409 1.00 43.10 C ATOM 501 C LEU A 389 -4.330 -3.171 -5.935 1.00 34.05 C ATOM 502 O LEU A 389 -5.501 -2.927 -6.150 1.00 11.11 O ATOM 503 CB LEU A 389 -3.067 -4.398 -4.189 1.00 50.02 C ATOM 504 CG LEU A 389 -3.745 -4.367 -2.861 1.00 22.10 C ATOM 505 CD1 LEU A 389 -4.729 -3.224 -2.715 1.00 63.04 C ATOM 506 CD2 LEU A 389 -4.373 -5.703 -2.544 1.00 43.12 C ATOM 0 H LEU A 389 -2.129 -5.110 -6.191 1.00 64.32 H new ATOM 0 HA LEU A 389 -4.823 -5.085 -5.178 1.00 43.10 H new ATOM 0 HB2 LEU A 389 -2.361 -5.229 -4.184 1.00 50.02 H new ATOM 0 HB3 LEU A 389 -2.482 -3.483 -4.286 1.00 50.02 H new ATOM 0 HG LEU A 389 -2.970 -4.175 -2.119 1.00 22.10 H new ATOM 0 HD11 LEU A 389 -5.186 -3.261 -1.726 1.00 63.04 H new ATOM 0 HD12 LEU A 389 -4.206 -2.276 -2.838 1.00 63.04 H new ATOM 0 HD13 LEU A 389 -5.504 -3.312 -3.476 1.00 63.04 H new ATOM 0 HD21 LEU A 389 -4.861 -5.654 -1.570 1.00 43.12 H new ATOM 0 HD22 LEU A 389 -5.111 -5.949 -3.308 1.00 43.12 H new ATOM 0 HD23 LEU A 389 -3.601 -6.472 -2.525 1.00 43.12 H new ATOM 514 N GLY A 390 -3.373 -2.306 -6.167 1.00 25.30 N ATOM 515 CA GLY A 390 -3.710 -1.014 -6.635 1.00 64.32 C ATOM 516 C GLY A 390 -2.557 -0.345 -7.288 1.00 24.41 C ATOM 517 O GLY A 390 -1.395 -0.730 -7.073 1.00 13.32 O ATOM 0 H GLY A 390 -2.377 -2.482 -6.038 1.00 25.30 H new ATOM 0 HA2 GLY A 390 -4.536 -1.088 -7.343 1.00 64.32 H new ATOM 0 HA3 GLY A 390 -4.059 -0.405 -5.801 1.00 64.32 H new ATOM 521 N ASN A 391 -2.860 0.623 -8.090 1.00 3.03 N ATOM 522 CA ASN A 391 -1.873 1.418 -8.768 1.00 3.51 C ATOM 523 C ASN A 391 -1.820 2.756 -8.103 1.00 1.35 C ATOM 524 O ASN A 391 -2.840 3.257 -7.643 1.00 53.31 O ATOM 525 CB ASN A 391 -2.232 1.595 -10.245 1.00 30.21 C ATOM 526 CG ASN A 391 -2.258 0.295 -11.012 1.00 52.42 C ATOM 527 OD1 ASN A 391 -3.402 -0.338 -11.069 1.00 62.02 O flip ATOM 528 ND2 ASN A 391 -1.243 -0.134 -11.557 1.00 73.04 N flip ATOM 0 H ASN A 391 -3.821 0.894 -8.301 1.00 3.03 H new ATOM 0 HA ASN A 391 -0.906 0.918 -8.715 1.00 3.51 H new ATOM 0 HB2 ASN A 391 -3.209 2.073 -10.320 1.00 30.21 H new ATOM 0 HB3 ASN A 391 -1.511 2.268 -10.709 1.00 30.21 H new ATOM 0 HD21 ASN A 391 -0.369 0.388 -11.491 1.00 73.04 H new ATOM 0 HD22 ASN A 391 -1.275 -1.012 -12.076 1.00 73.04 H new ATOM 534 N PHE A 392 -0.660 3.325 -8.039 1.00 33.42 N ATOM 535 CA PHE A 392 -0.474 4.603 -7.378 1.00 71.35 C ATOM 536 C PHE A 392 -1.129 5.717 -8.175 1.00 32.13 C ATOM 537 O PHE A 392 -0.736 5.999 -9.321 1.00 24.13 O ATOM 538 CB PHE A 392 1.019 4.889 -7.166 1.00 13.12 C ATOM 539 CG PHE A 392 1.705 4.015 -6.136 1.00 73.42 C ATOM 540 CD1 PHE A 392 1.530 2.637 -6.121 1.00 74.03 C ATOM 541 CD2 PHE A 392 2.558 4.577 -5.204 1.00 32.51 C ATOM 542 CE1 PHE A 392 2.185 1.851 -5.205 1.00 74.43 C ATOM 543 CE2 PHE A 392 3.212 3.789 -4.278 1.00 43.01 C ATOM 544 CZ PHE A 392 3.027 2.427 -4.280 1.00 12.10 C ATOM 0 H PHE A 392 0.191 2.929 -8.438 1.00 33.42 H new ATOM 0 HA PHE A 392 -0.954 4.558 -6.400 1.00 71.35 H new ATOM 0 HB2 PHE A 392 1.534 4.771 -8.120 1.00 13.12 H new ATOM 0 HB3 PHE A 392 1.134 5.931 -6.869 1.00 13.12 H new ATOM 0 HD1 PHE A 392 0.869 2.177 -6.841 1.00 74.03 H new ATOM 0 HD2 PHE A 392 2.715 5.646 -5.200 1.00 32.51 H new ATOM 0 HE1 PHE A 392 2.040 0.781 -5.210 1.00 74.43 H new ATOM 0 HE2 PHE A 392 3.869 4.243 -3.551 1.00 43.01 H new ATOM 0 HZ PHE A 392 3.541 1.810 -3.558 1.00 12.10 H new ATOM 554 N ALA A 393 -2.117 6.336 -7.580 1.00 4.32 N ATOM 555 CA ALA A 393 -2.844 7.398 -8.231 1.00 1.45 C ATOM 556 C ALA A 393 -2.277 8.744 -7.853 1.00 42.33 C ATOM 557 O ALA A 393 -2.024 9.586 -8.718 1.00 63.13 O ATOM 558 CB ALA A 393 -4.323 7.324 -7.876 1.00 32.11 C ATOM 0 H ALA A 393 -2.439 6.120 -6.637 1.00 4.32 H new ATOM 0 HA ALA A 393 -2.739 7.274 -9.309 1.00 1.45 H new ATOM 0 HB1 ALA A 393 -4.858 8.132 -8.375 1.00 32.11 H new ATOM 0 HB2 ALA A 393 -4.728 6.366 -8.201 1.00 32.11 H new ATOM 0 HB3 ALA A 393 -4.444 7.421 -6.797 1.00 32.11 H new ATOM 564 N SER A 394 -2.053 8.938 -6.564 1.00 72.04 N ATOM 565 CA SER A 394 -1.555 10.187 -6.044 1.00 42.53 C ATOM 566 C SER A 394 -1.249 10.037 -4.568 1.00 32.13 C ATOM 567 O SER A 394 -1.868 9.204 -3.879 1.00 32.25 O ATOM 568 CB SER A 394 -2.606 11.298 -6.251 1.00 20.11 C ATOM 569 OG SER A 394 -3.853 10.948 -5.646 1.00 40.40 O ATOM 0 H SER A 394 -2.214 8.227 -5.851 1.00 72.04 H new ATOM 0 HA SER A 394 -0.643 10.459 -6.575 1.00 42.53 H new ATOM 0 HB2 SER A 394 -2.241 12.232 -5.824 1.00 20.11 H new ATOM 0 HB3 SER A 394 -2.752 11.471 -7.317 1.00 20.11 H new ATOM 0 HG SER A 394 -4.500 11.669 -5.790 1.00 40.40 H new ATOM 575 N GLN A 395 -0.282 10.779 -4.086 1.00 42.42 N ATOM 576 CA GLN A 395 0.015 10.791 -2.688 1.00 43.13 C ATOM 577 C GLN A 395 0.430 12.169 -2.241 1.00 2.02 C ATOM 578 O GLN A 395 1.107 12.906 -2.975 1.00 74.41 O ATOM 579 CB GLN A 395 1.079 9.782 -2.386 1.00 41.40 C ATOM 580 CG GLN A 395 2.322 9.967 -3.191 1.00 12.33 C ATOM 581 CD GLN A 395 3.257 8.858 -2.977 1.00 52.23 C ATOM 582 OE1 GLN A 395 4.110 8.904 -2.094 1.00 23.55 O ATOM 583 NE2 GLN A 395 3.116 7.828 -3.778 1.00 70.22 N ATOM 0 H GLN A 395 0.313 11.384 -4.652 1.00 42.42 H new ATOM 0 HA GLN A 395 -0.884 10.523 -2.134 1.00 43.13 H new ATOM 0 HB2 GLN A 395 1.330 9.837 -1.327 1.00 41.40 H new ATOM 0 HB3 GLN A 395 0.683 8.783 -2.568 1.00 41.40 H new ATOM 0 HG2 GLN A 395 2.068 10.034 -4.249 1.00 12.33 H new ATOM 0 HG3 GLN A 395 2.800 10.908 -2.918 1.00 12.33 H new ATOM 0 HE21 GLN A 395 2.392 7.836 -4.497 1.00 70.22 H new ATOM 0 HE22 GLN A 395 3.730 7.019 -3.682 1.00 70.22 H new ATOM 591 N GLU A 396 0.008 12.530 -1.071 1.00 65.44 N ATOM 592 CA GLU A 396 0.337 13.798 -0.514 1.00 3.43 C ATOM 593 C GLU A 396 0.897 13.612 0.870 1.00 42.13 C ATOM 594 O GLU A 396 0.314 12.875 1.702 1.00 21.45 O ATOM 595 CB GLU A 396 -0.883 14.712 -0.497 1.00 15.23 C ATOM 596 CG GLU A 396 -0.611 16.093 0.066 1.00 5.31 C ATOM 597 CD GLU A 396 -1.811 16.977 -0.011 1.00 50.44 C ATOM 598 OE1 GLU A 396 -2.680 16.890 0.874 1.00 74.22 O ATOM 599 OE2 GLU A 396 -1.910 17.771 -0.962 1.00 75.04 O ATOM 0 H GLU A 396 -0.578 11.947 -0.473 1.00 65.44 H new ATOM 0 HA GLU A 396 1.095 14.275 -1.135 1.00 3.43 H new ATOM 0 HB2 GLU A 396 -1.262 14.814 -1.514 1.00 15.23 H new ATOM 0 HB3 GLU A 396 -1.670 14.240 0.091 1.00 15.23 H new ATOM 0 HG2 GLU A 396 -0.293 16.004 1.105 1.00 5.31 H new ATOM 0 HG3 GLU A 396 0.212 16.552 -0.482 1.00 5.31 H new ATOM 606 N GLY A 397 2.017 14.246 1.125 1.00 24.10 N ATOM 607 CA GLY A 397 2.657 14.130 2.397 1.00 43.35 C ATOM 608 C GLY A 397 3.231 12.755 2.598 1.00 52.14 C ATOM 609 O GLY A 397 4.221 12.386 1.966 1.00 32.50 O ATOM 0 H GLY A 397 2.500 14.849 0.459 1.00 24.10 H new ATOM 0 HA2 GLY A 397 3.451 14.873 2.476 1.00 43.35 H new ATOM 0 HA3 GLY A 397 1.939 14.346 3.188 1.00 43.35 H new ATOM 613 N ASN A 398 2.606 11.998 3.454 1.00 60.45 N ATOM 614 CA ASN A 398 3.049 10.654 3.753 1.00 51.53 C ATOM 615 C ASN A 398 1.858 9.689 3.723 1.00 54.22 C ATOM 616 O ASN A 398 1.883 8.610 4.311 1.00 45.35 O ATOM 617 CB ASN A 398 3.811 10.623 5.107 1.00 44.15 C ATOM 618 CG ASN A 398 2.992 11.081 6.310 1.00 71.15 C ATOM 619 OD1 ASN A 398 2.944 12.274 6.627 1.00 52.23 O ATOM 620 ND2 ASN A 398 2.400 10.157 7.007 1.00 35.30 N ATOM 0 H ASN A 398 1.774 12.289 3.968 1.00 60.45 H new ATOM 0 HA ASN A 398 3.752 10.322 2.988 1.00 51.53 H new ATOM 0 HB2 ASN A 398 4.161 9.607 5.288 1.00 44.15 H new ATOM 0 HB3 ASN A 398 4.696 11.255 5.025 1.00 44.15 H new ATOM 0 HD21 ASN A 398 1.875 10.408 7.845 1.00 35.30 H new ATOM 0 HD22 ASN A 398 2.460 9.181 6.716 1.00 35.30 H new ATOM 626 N VAL A 399 0.830 10.075 2.984 1.00 72.32 N ATOM 627 CA VAL A 399 -0.352 9.241 2.815 1.00 53.21 C ATOM 628 C VAL A 399 -0.508 8.926 1.334 1.00 64.32 C ATOM 629 O VAL A 399 -0.708 9.833 0.517 1.00 63.41 O ATOM 630 CB VAL A 399 -1.638 9.940 3.340 1.00 71.32 C ATOM 631 CG1 VAL A 399 -2.850 9.033 3.180 1.00 73.12 C ATOM 632 CG2 VAL A 399 -1.475 10.347 4.797 1.00 21.14 C ATOM 0 H VAL A 399 0.790 10.966 2.489 1.00 72.32 H new ATOM 0 HA VAL A 399 -0.220 8.328 3.396 1.00 53.21 H new ATOM 0 HB VAL A 399 -1.797 10.839 2.745 1.00 71.32 H new ATOM 0 HG11 VAL A 399 -3.738 9.543 3.554 1.00 73.12 H new ATOM 0 HG12 VAL A 399 -2.987 8.791 2.126 1.00 73.12 H new ATOM 0 HG13 VAL A 399 -2.694 8.114 3.745 1.00 73.12 H new ATOM 0 HG21 VAL A 399 -2.387 10.834 5.143 1.00 21.14 H new ATOM 0 HG22 VAL A 399 -1.284 9.461 5.403 1.00 21.14 H new ATOM 0 HG23 VAL A 399 -0.637 11.038 4.890 1.00 21.14 H new ATOM 638 N LEU A 400 -0.414 7.665 1.003 1.00 51.43 N ATOM 639 CA LEU A 400 -0.424 7.203 -0.371 1.00 10.31 C ATOM 640 C LEU A 400 -1.749 6.521 -0.733 1.00 31.21 C ATOM 641 O LEU A 400 -2.259 5.683 0.017 1.00 20.43 O ATOM 642 CB LEU A 400 0.758 6.227 -0.636 1.00 53.11 C ATOM 643 CG LEU A 400 2.221 6.777 -0.644 1.00 32.32 C ATOM 644 CD1 LEU A 400 2.647 7.400 0.670 1.00 61.54 C ATOM 645 CD2 LEU A 400 3.199 5.685 -1.035 1.00 55.32 C ATOM 0 H LEU A 400 -0.327 6.914 1.687 1.00 51.43 H new ATOM 0 HA LEU A 400 -0.310 8.083 -1.004 1.00 10.31 H new ATOM 0 HB2 LEU A 400 0.708 5.441 0.118 1.00 53.11 H new ATOM 0 HB3 LEU A 400 0.581 5.754 -1.602 1.00 53.11 H new ATOM 0 HG LEU A 400 2.233 7.575 -1.386 1.00 32.32 H new ATOM 0 HD11 LEU A 400 3.673 7.758 0.587 1.00 61.54 H new ATOM 0 HD12 LEU A 400 1.989 8.236 0.907 1.00 61.54 H new ATOM 0 HD13 LEU A 400 2.586 6.654 1.463 1.00 61.54 H new ATOM 0 HD21 LEU A 400 4.212 6.087 -1.035 1.00 55.32 H new ATOM 0 HD22 LEU A 400 3.134 4.865 -0.320 1.00 55.32 H new ATOM 0 HD23 LEU A 400 2.955 5.317 -2.032 1.00 55.32 H new ATOM 653 N LYS A 401 -2.298 6.884 -1.882 1.00 32.23 N ATOM 654 CA LYS A 401 -3.537 6.304 -2.379 1.00 61.54 C ATOM 655 C LYS A 401 -3.332 5.491 -3.630 1.00 71.14 C ATOM 656 O LYS A 401 -2.831 5.998 -4.652 1.00 0.34 O ATOM 657 CB LYS A 401 -4.604 7.368 -2.609 1.00 32.32 C ATOM 658 CG LYS A 401 -5.329 7.811 -1.350 1.00 41.42 C ATOM 659 CD LYS A 401 -6.179 6.667 -0.769 1.00 34.04 C ATOM 660 CE LYS A 401 -7.261 6.195 -1.746 1.00 64.43 C ATOM 661 NZ LYS A 401 -8.238 7.263 -2.064 1.00 71.43 N ATOM 0 H LYS A 401 -1.896 7.591 -2.498 1.00 32.23 H new ATOM 0 HA LYS A 401 -3.887 5.627 -1.600 1.00 61.54 H new ATOM 0 HB2 LYS A 401 -4.138 8.239 -3.071 1.00 32.32 H new ATOM 0 HB3 LYS A 401 -5.336 6.984 -3.319 1.00 32.32 H new ATOM 0 HG2 LYS A 401 -4.604 8.143 -0.607 1.00 41.42 H new ATOM 0 HG3 LYS A 401 -5.968 8.665 -1.576 1.00 41.42 H new ATOM 0 HD2 LYS A 401 -5.531 5.828 -0.515 1.00 34.04 H new ATOM 0 HD3 LYS A 401 -6.648 7.000 0.157 1.00 34.04 H new ATOM 0 HE2 LYS A 401 -6.790 5.851 -2.667 1.00 64.43 H new ATOM 0 HE3 LYS A 401 -7.786 5.341 -1.318 1.00 64.43 H new ATOM 0 HZ1 LYS A 401 -9.014 6.866 -2.631 1.00 71.43 H new ATOM 0 HZ2 LYS A 401 -8.621 7.657 -1.181 1.00 71.43 H new ATOM 0 HZ3 LYS A 401 -7.765 8.017 -2.603 1.00 71.43 H new ATOM 675 N TYR A 402 -3.709 4.232 -3.557 1.00 31.33 N ATOM 676 CA TYR A 402 -3.582 3.344 -4.694 1.00 62.32 C ATOM 677 C TYR A 402 -4.971 2.861 -5.081 1.00 24.14 C ATOM 678 O TYR A 402 -5.765 2.525 -4.203 1.00 14.12 O ATOM 679 CB TYR A 402 -2.726 2.117 -4.345 1.00 44.32 C ATOM 680 CG TYR A 402 -1.618 2.378 -3.364 1.00 23.15 C ATOM 681 CD1 TYR A 402 -0.636 3.296 -3.621 1.00 62.34 C ATOM 682 CD2 TYR A 402 -1.559 1.677 -2.172 1.00 31.11 C ATOM 683 CE1 TYR A 402 0.371 3.514 -2.727 1.00 44.23 C ATOM 684 CE2 TYR A 402 -0.547 1.898 -1.274 1.00 11.12 C ATOM 685 CZ TYR A 402 0.414 2.813 -1.560 1.00 1.52 C ATOM 686 OH TYR A 402 1.434 3.029 -0.673 1.00 23.25 O ATOM 0 H TYR A 402 -4.106 3.800 -2.723 1.00 31.33 H new ATOM 0 HA TYR A 402 -3.104 3.886 -5.510 1.00 62.32 H new ATOM 0 HB2 TYR A 402 -3.376 1.342 -3.939 1.00 44.32 H new ATOM 0 HB3 TYR A 402 -2.293 1.721 -5.263 1.00 44.32 H new ATOM 0 HD1 TYR A 402 -0.659 3.856 -4.544 1.00 62.34 H new ATOM 0 HD2 TYR A 402 -2.321 0.946 -1.946 1.00 31.11 H new ATOM 0 HE1 TYR A 402 1.136 4.244 -2.945 1.00 44.23 H new ATOM 0 HE2 TYR A 402 -0.515 1.348 -0.345 1.00 11.12 H new ATOM 0 HH TYR A 402 1.827 2.170 -0.411 1.00 23.25 H new ATOM 696 N GLU A 403 -5.263 2.832 -6.359 1.00 63.41 N ATOM 697 CA GLU A 403 -6.561 2.377 -6.841 1.00 42.53 C ATOM 698 C GLU A 403 -6.448 1.676 -8.161 1.00 15.41 C ATOM 699 O GLU A 403 -5.353 1.548 -8.727 1.00 51.24 O ATOM 700 CB GLU A 403 -7.565 3.528 -6.984 1.00 30.22 C ATOM 701 CG GLU A 403 -7.090 4.678 -7.858 1.00 33.12 C ATOM 702 CD GLU A 403 -8.144 5.736 -8.041 1.00 64.12 C ATOM 703 OE1 GLU A 403 -8.284 6.603 -7.166 1.00 34.45 O ATOM 704 OE2 GLU A 403 -8.863 5.708 -9.069 1.00 74.51 O ATOM 0 H GLU A 403 -4.619 3.119 -7.096 1.00 63.41 H new ATOM 0 HA GLU A 403 -6.926 1.680 -6.087 1.00 42.53 H new ATOM 0 HB2 GLU A 403 -8.493 3.134 -7.398 1.00 30.22 H new ATOM 0 HB3 GLU A 403 -7.798 3.915 -5.992 1.00 30.22 H new ATOM 0 HG2 GLU A 403 -6.203 5.127 -7.412 1.00 33.12 H new ATOM 0 HG3 GLU A 403 -6.795 4.291 -8.833 1.00 33.12 H new ATOM 711 N ASN A 404 -7.583 1.171 -8.609 1.00 73.41 N ATOM 712 CA ASN A 404 -7.767 0.644 -9.944 1.00 41.31 C ATOM 713 C ASN A 404 -6.929 -0.594 -10.205 1.00 34.54 C ATOM 714 O ASN A 404 -6.499 -0.847 -11.332 1.00 1.32 O ATOM 715 CB ASN A 404 -7.479 1.743 -10.956 1.00 42.41 C ATOM 716 CG ASN A 404 -8.544 1.806 -12.001 1.00 1.15 C ATOM 717 OD1 ASN A 404 -8.446 1.200 -13.062 1.00 25.32 O ATOM 718 ND2 ASN A 404 -9.606 2.489 -11.673 1.00 34.23 N ATOM 0 H ASN A 404 -8.425 1.116 -8.036 1.00 73.41 H new ATOM 0 HA ASN A 404 -8.803 0.321 -10.046 1.00 41.31 H new ATOM 0 HB2 ASN A 404 -7.410 2.703 -10.445 1.00 42.41 H new ATOM 0 HB3 ASN A 404 -6.513 1.563 -11.428 1.00 42.41 H new ATOM 0 HD21 ASN A 404 -10.400 2.534 -12.311 1.00 34.23 H new ATOM 0 HD22 ASN A 404 -9.642 2.978 -10.778 1.00 34.23 H new ATOM 724 N GLY A 405 -6.744 -1.384 -9.163 1.00 51.42 N ATOM 725 CA GLY A 405 -6.008 -2.626 -9.281 1.00 22.54 C ATOM 726 C GLY A 405 -6.820 -3.740 -9.951 1.00 42.44 C ATOM 727 O GLY A 405 -7.521 -3.507 -10.939 1.00 33.12 O ATOM 0 H GLY A 405 -7.094 -1.186 -8.226 1.00 51.42 H new ATOM 0 HA2 GLY A 405 -5.099 -2.450 -9.856 1.00 22.54 H new ATOM 0 HA3 GLY A 405 -5.699 -2.955 -8.289 1.00 22.54 H new ATOM 731 N GLN A 406 -6.739 -4.927 -9.400 1.00 4.33 N ATOM 732 CA GLN A 406 -7.410 -6.101 -9.947 1.00 65.21 C ATOM 733 C GLN A 406 -8.918 -5.973 -9.633 1.00 73.03 C ATOM 734 O GLN A 406 -9.295 -5.355 -8.633 1.00 23.41 O ATOM 735 CB GLN A 406 -6.769 -7.361 -9.300 1.00 34.13 C ATOM 736 CG GLN A 406 -6.901 -8.708 -10.036 1.00 2.22 C ATOM 737 CD GLN A 406 -8.280 -9.291 -10.098 1.00 53.12 C ATOM 738 OE1 GLN A 406 -9.029 -9.049 -11.034 1.00 73.43 O ATOM 739 NE2 GLN A 406 -8.621 -10.057 -9.106 1.00 12.25 N ATOM 0 H GLN A 406 -6.204 -5.116 -8.553 1.00 4.33 H new ATOM 0 HA GLN A 406 -7.298 -6.185 -11.028 1.00 65.21 H new ATOM 0 HB2 GLN A 406 -5.707 -7.160 -9.163 1.00 34.13 H new ATOM 0 HB3 GLN A 406 -7.202 -7.481 -8.307 1.00 34.13 H new ATOM 0 HG2 GLN A 406 -6.536 -8.580 -11.055 1.00 2.22 H new ATOM 0 HG3 GLN A 406 -6.244 -9.430 -9.551 1.00 2.22 H new ATOM 0 HE21 GLN A 406 -7.963 -10.231 -8.346 1.00 12.25 H new ATOM 0 HE22 GLN A 406 -9.547 -10.485 -9.087 1.00 12.25 H new ATOM 747 N SER A 407 -9.741 -6.518 -10.488 1.00 64.02 N ATOM 748 CA SER A 407 -11.182 -6.420 -10.406 1.00 14.01 C ATOM 749 C SER A 407 -11.711 -7.027 -9.096 1.00 54.32 C ATOM 750 O SER A 407 -11.263 -8.086 -8.648 1.00 45.33 O ATOM 751 CB SER A 407 -11.800 -7.124 -11.623 1.00 61.35 C ATOM 752 OG SER A 407 -13.213 -6.999 -11.656 1.00 42.51 O ATOM 0 H SER A 407 -9.421 -7.062 -11.289 1.00 64.02 H new ATOM 0 HA SER A 407 -11.467 -5.368 -10.409 1.00 14.01 H new ATOM 0 HB2 SER A 407 -11.379 -6.704 -12.536 1.00 61.35 H new ATOM 0 HB3 SER A 407 -11.531 -8.180 -11.605 1.00 61.35 H new ATOM 0 HG SER A 407 -13.564 -7.460 -12.447 1.00 42.51 H new ATOM 758 N CYS A 408 -12.624 -6.324 -8.486 1.00 30.53 N ATOM 759 CA CYS A 408 -13.227 -6.722 -7.244 1.00 62.54 C ATOM 760 C CYS A 408 -14.748 -6.557 -7.336 1.00 43.12 C ATOM 761 O CYS A 408 -15.227 -5.745 -8.128 1.00 24.24 O ATOM 762 CB CYS A 408 -12.635 -5.860 -6.135 1.00 11.22 C ATOM 763 SG CYS A 408 -13.369 -6.075 -4.498 1.00 3.22 S ATOM 0 H CYS A 408 -12.978 -5.438 -8.847 1.00 30.53 H new ATOM 0 HA CYS A 408 -13.024 -7.771 -7.027 1.00 62.54 H new ATOM 0 HB2 CYS A 408 -11.568 -6.073 -6.065 1.00 11.22 H new ATOM 0 HB3 CYS A 408 -12.733 -4.813 -6.422 1.00 11.22 H new ATOM 768 N TRP A 409 -15.501 -7.324 -6.554 1.00 53.14 N ATOM 769 CA TRP A 409 -16.951 -7.228 -6.575 1.00 32.51 C ATOM 770 C TRP A 409 -17.469 -6.181 -5.598 1.00 50.45 C ATOM 771 O TRP A 409 -16.952 -6.045 -4.488 1.00 23.10 O ATOM 772 CB TRP A 409 -17.633 -8.592 -6.328 1.00 70.23 C ATOM 773 CG TRP A 409 -19.126 -8.483 -6.185 1.00 44.21 C ATOM 774 CD1 TRP A 409 -19.870 -8.752 -5.079 1.00 71.22 C ATOM 775 CD2 TRP A 409 -20.040 -8.020 -7.174 1.00 73.34 C ATOM 776 NE1 TRP A 409 -21.193 -8.501 -5.334 1.00 14.40 N ATOM 777 CE2 TRP A 409 -21.320 -8.053 -6.614 1.00 74.45 C ATOM 778 CE3 TRP A 409 -19.886 -7.588 -8.474 1.00 51.03 C ATOM 779 CZ2 TRP A 409 -22.449 -7.666 -7.321 1.00 54.12 C ATOM 780 CZ3 TRP A 409 -20.994 -7.204 -9.184 1.00 0.41 C ATOM 781 CH2 TRP A 409 -22.266 -7.245 -8.610 1.00 61.40 C ATOM 0 H TRP A 409 -15.131 -8.015 -5.902 1.00 53.14 H new ATOM 0 HA TRP A 409 -17.218 -6.905 -7.581 1.00 32.51 H new ATOM 0 HB2 TRP A 409 -17.400 -9.264 -7.154 1.00 70.23 H new ATOM 0 HB3 TRP A 409 -17.219 -9.042 -5.426 1.00 70.23 H new ATOM 0 HD1 TRP A 409 -19.477 -9.110 -4.139 1.00 71.22 H new ATOM 0 HE1 TRP A 409 -21.959 -8.629 -4.672 1.00 14.40 H new ATOM 0 HE3 TRP A 409 -18.906 -7.553 -8.927 1.00 51.03 H new ATOM 0 HZ2 TRP A 409 -23.431 -7.696 -6.873 1.00 54.12 H new ATOM 0 HZ3 TRP A 409 -20.881 -6.865 -10.203 1.00 0.41 H new ATOM 0 HH2 TRP A 409 -23.121 -6.939 -9.194 1.00 61.40 H new ATOM 792 N ASN A 410 -18.515 -5.450 -6.049 1.00 61.23 N ATOM 793 CA ASN A 410 -19.202 -4.381 -5.293 1.00 3.01 C ATOM 794 C ASN A 410 -18.332 -3.121 -5.319 1.00 0.41 C ATOM 795 O ASN A 410 -18.563 -2.126 -4.624 1.00 54.20 O ATOM 796 CB ASN A 410 -19.546 -4.848 -3.862 1.00 13.22 C ATOM 797 CG ASN A 410 -20.510 -3.927 -3.118 1.00 73.13 C ATOM 798 OD1 ASN A 410 -20.109 -2.969 -2.460 1.00 12.11 O ATOM 799 ND2 ASN A 410 -21.784 -4.246 -3.177 1.00 20.02 N ATOM 0 H ASN A 410 -18.915 -5.593 -6.976 1.00 61.23 H new ATOM 0 HA ASN A 410 -20.156 -4.142 -5.763 1.00 3.01 H new ATOM 0 HB2 ASN A 410 -19.981 -5.846 -3.912 1.00 13.22 H new ATOM 0 HB3 ASN A 410 -18.624 -4.931 -3.287 1.00 13.22 H new ATOM 0 HD21 ASN A 410 -22.473 -3.692 -2.667 1.00 20.02 H new ATOM 0 HD22 ASN A 410 -22.084 -5.047 -3.732 1.00 20.02 H new ATOM 805 N GLY A 411 -17.357 -3.186 -6.173 1.00 23.01 N ATOM 806 CA GLY A 411 -16.456 -2.123 -6.426 1.00 64.31 C ATOM 807 C GLY A 411 -15.984 -2.249 -7.844 1.00 63.11 C ATOM 808 O GLY A 411 -16.388 -3.193 -8.528 1.00 63.43 O ATOM 0 H GLY A 411 -17.167 -4.018 -6.731 1.00 23.01 H new ATOM 0 HA2 GLY A 411 -16.946 -1.162 -6.271 1.00 64.31 H new ATOM 0 HA3 GLY A 411 -15.612 -2.166 -5.737 1.00 64.31 H new ATOM 812 N PRO A 412 -15.176 -1.337 -8.347 1.00 34.32 N ATOM 813 CA PRO A 412 -14.674 -1.445 -9.700 1.00 75.25 C ATOM 814 C PRO A 412 -13.364 -2.250 -9.782 1.00 63.35 C ATOM 815 O PRO A 412 -13.170 -3.061 -10.681 1.00 51.33 O ATOM 816 CB PRO A 412 -14.431 0.012 -10.095 1.00 44.43 C ATOM 817 CG PRO A 412 -14.305 0.787 -8.807 1.00 43.44 C ATOM 818 CD PRO A 412 -14.733 -0.114 -7.673 1.00 32.34 C ATOM 0 HA PRO A 412 -15.368 -1.974 -10.353 1.00 75.25 H new ATOM 0 HB2 PRO A 412 -13.526 0.106 -10.695 1.00 44.43 H new ATOM 0 HB3 PRO A 412 -15.255 0.393 -10.699 1.00 44.43 H new ATOM 0 HG2 PRO A 412 -13.277 1.119 -8.662 1.00 43.44 H new ATOM 0 HG3 PRO A 412 -14.928 1.681 -8.838 1.00 43.44 H new ATOM 0 HD2 PRO A 412 -13.910 -0.311 -6.986 1.00 32.34 H new ATOM 0 HD3 PRO A 412 -15.536 0.334 -7.088 1.00 32.34 H new ATOM 826 N HIS A 413 -12.491 -2.038 -8.819 1.00 15.32 N ATOM 827 CA HIS A 413 -11.183 -2.663 -8.752 1.00 4.34 C ATOM 828 C HIS A 413 -10.736 -2.587 -7.315 1.00 14.11 C ATOM 829 O HIS A 413 -11.385 -1.903 -6.510 1.00 1.24 O ATOM 830 CB HIS A 413 -10.132 -1.880 -9.584 1.00 12.53 C ATOM 831 CG HIS A 413 -10.416 -1.724 -11.047 1.00 44.43 C ATOM 832 ND1 HIS A 413 -10.163 -2.701 -11.971 1.00 31.24 N ATOM 833 CD2 HIS A 413 -10.955 -0.689 -11.736 1.00 11.02 C ATOM 834 CE1 HIS A 413 -10.534 -2.289 -13.153 1.00 4.32 C ATOM 835 NE2 HIS A 413 -11.021 -1.072 -13.043 1.00 23.23 N ATOM 0 H HIS A 413 -12.676 -1.408 -8.038 1.00 15.32 H new ATOM 0 HA HIS A 413 -11.258 -3.681 -9.136 1.00 4.34 H new ATOM 0 HB2 HIS A 413 -10.025 -0.886 -9.150 1.00 12.53 H new ATOM 0 HB3 HIS A 413 -9.170 -2.380 -9.475 1.00 12.53 H new ATOM 0 HD1 HIS A 413 -9.749 -3.611 -11.768 1.00 31.24 H new ATOM 0 HD2 HIS A 413 -11.272 0.259 -11.327 1.00 11.02 H new ATOM 0 HE1 HIS A 413 -10.454 -2.854 -14.070 1.00 4.32 H new ATOM 844 N ARG A 414 -9.666 -3.264 -6.979 1.00 64.25 N ATOM 845 CA ARG A 414 -9.086 -3.126 -5.670 1.00 32.52 C ATOM 846 C ARG A 414 -8.334 -1.823 -5.540 1.00 33.44 C ATOM 847 O ARG A 414 -7.964 -1.189 -6.546 1.00 10.52 O ATOM 848 CB ARG A 414 -8.199 -4.308 -5.273 1.00 45.20 C ATOM 849 CG ARG A 414 -8.958 -5.543 -4.835 1.00 3.13 C ATOM 850 CD ARG A 414 -8.013 -6.702 -4.542 1.00 53.43 C ATOM 851 NE ARG A 414 -8.730 -7.908 -4.098 1.00 62.02 N ATOM 852 CZ ARG A 414 -8.166 -8.964 -3.475 1.00 2.15 C ATOM 853 NH1 ARG A 414 -6.851 -8.979 -3.223 1.00 73.22 N ATOM 854 NH2 ARG A 414 -8.918 -9.998 -3.107 1.00 60.40 N ATOM 0 H ARG A 414 -9.180 -3.916 -7.595 1.00 64.25 H new ATOM 0 HA ARG A 414 -9.922 -3.119 -4.970 1.00 32.52 H new ATOM 0 HB2 ARG A 414 -7.563 -4.569 -6.119 1.00 45.20 H new ATOM 0 HB3 ARG A 414 -7.540 -3.996 -4.463 1.00 45.20 H new ATOM 0 HG2 ARG A 414 -9.544 -5.315 -3.944 1.00 3.13 H new ATOM 0 HG3 ARG A 414 -9.663 -5.834 -5.614 1.00 3.13 H new ATOM 0 HD2 ARG A 414 -7.437 -6.934 -5.438 1.00 53.43 H new ATOM 0 HD3 ARG A 414 -7.301 -6.402 -3.774 1.00 53.43 H new ATOM 0 HE ARG A 414 -9.734 -7.949 -4.275 1.00 62.02 H new ATOM 0 HH11 ARG A 414 -6.269 -8.189 -3.502 1.00 73.22 H new ATOM 0 HH12 ARG A 414 -6.431 -9.780 -2.752 1.00 73.22 H new ATOM 0 HH21 ARG A 414 -9.920 -9.992 -3.296 1.00 60.40 H new ATOM 0 HH22 ARG A 414 -8.492 -10.796 -2.636 1.00 60.40 H new ATOM 866 N SER A 415 -8.124 -1.434 -4.324 1.00 11.24 N ATOM 867 CA SER A 415 -7.479 -0.218 -3.989 1.00 3.15 C ATOM 868 C SER A 415 -7.040 -0.285 -2.532 1.00 23.31 C ATOM 869 O SER A 415 -7.527 -1.136 -1.774 1.00 72.33 O ATOM 870 CB SER A 415 -8.455 0.941 -4.214 1.00 51.03 C ATOM 871 OG SER A 415 -9.678 0.714 -3.520 1.00 22.02 O ATOM 0 H SER A 415 -8.410 -1.979 -3.511 1.00 11.24 H new ATOM 0 HA SER A 415 -6.601 -0.059 -4.615 1.00 3.15 H new ATOM 0 HB2 SER A 415 -8.005 1.873 -3.872 1.00 51.03 H new ATOM 0 HB3 SER A 415 -8.652 1.055 -5.280 1.00 51.03 H new ATOM 0 HG SER A 415 -9.821 -0.250 -3.416 1.00 22.02 H new ATOM 877 N ALA A 416 -6.150 0.589 -2.141 1.00 75.33 N ATOM 878 CA ALA A 416 -5.660 0.617 -0.792 1.00 0.25 C ATOM 879 C ALA A 416 -5.108 1.967 -0.472 1.00 12.13 C ATOM 880 O ALA A 416 -4.578 2.667 -1.345 1.00 52.03 O ATOM 881 CB ALA A 416 -4.589 -0.442 -0.577 1.00 52.23 C ATOM 0 H ALA A 416 -5.746 1.300 -2.750 1.00 75.33 H new ATOM 0 HA ALA A 416 -6.495 0.402 -0.126 1.00 0.25 H new ATOM 0 HB1 ALA A 416 -4.236 -0.398 0.453 1.00 52.23 H new ATOM 0 HB2 ALA A 416 -5.008 -1.429 -0.775 1.00 52.23 H new ATOM 0 HB3 ALA A 416 -3.755 -0.259 -1.255 1.00 52.23 H new ATOM 887 N ILE A 417 -5.265 2.350 0.743 1.00 54.11 N ATOM 888 CA ILE A 417 -4.700 3.553 1.233 1.00 34.33 C ATOM 889 C ILE A 417 -3.594 3.226 2.231 1.00 41.44 C ATOM 890 O ILE A 417 -3.817 2.530 3.226 1.00 50.13 O ATOM 891 CB ILE A 417 -5.767 4.500 1.868 1.00 43.45 C ATOM 892 CG1 ILE A 417 -5.089 5.773 2.395 1.00 72.42 C ATOM 893 CG2 ILE A 417 -6.590 3.802 2.956 1.00 21.31 C ATOM 894 CD1 ILE A 417 -6.036 6.774 3.025 1.00 22.35 C ATOM 0 H ILE A 417 -5.799 1.827 1.437 1.00 54.11 H new ATOM 0 HA ILE A 417 -4.277 4.094 0.387 1.00 34.33 H new ATOM 0 HB ILE A 417 -6.475 4.781 1.089 1.00 43.45 H new ATOM 0 HG12 ILE A 417 -4.336 5.491 3.131 1.00 72.42 H new ATOM 0 HG13 ILE A 417 -4.564 6.257 1.572 1.00 72.42 H new ATOM 0 HG21 ILE A 417 -7.318 4.502 3.367 1.00 21.31 H new ATOM 0 HG22 ILE A 417 -7.111 2.947 2.526 1.00 21.31 H new ATOM 0 HG23 ILE A 417 -5.927 3.460 3.751 1.00 21.31 H new ATOM 0 HD11 ILE A 417 -5.472 7.641 3.369 1.00 22.35 H new ATOM 0 HD12 ILE A 417 -6.774 7.090 2.288 1.00 22.35 H new ATOM 0 HD13 ILE A 417 -6.544 6.312 3.872 1.00 22.35 H new ATOM 901 N VAL A 418 -2.421 3.685 1.941 1.00 13.21 N ATOM 902 CA VAL A 418 -1.288 3.485 2.794 1.00 11.15 C ATOM 903 C VAL A 418 -0.923 4.741 3.526 1.00 62.01 C ATOM 904 O VAL A 418 -0.765 5.808 2.940 1.00 22.34 O ATOM 905 CB VAL A 418 -0.047 2.886 2.045 1.00 44.04 C ATOM 906 CG1 VAL A 418 1.259 3.224 2.744 1.00 20.23 C ATOM 907 CG2 VAL A 418 -0.155 1.377 1.997 1.00 74.45 C ATOM 0 H VAL A 418 -2.216 4.217 1.095 1.00 13.21 H new ATOM 0 HA VAL A 418 -1.593 2.738 3.527 1.00 11.15 H new ATOM 0 HB VAL A 418 -0.044 3.319 1.045 1.00 44.04 H new ATOM 0 HG11 VAL A 418 2.091 2.789 2.190 1.00 20.23 H new ATOM 0 HG12 VAL A 418 1.379 4.307 2.788 1.00 20.23 H new ATOM 0 HG13 VAL A 418 1.245 2.819 3.756 1.00 20.23 H new ATOM 0 HG21 VAL A 418 0.710 0.967 1.476 1.00 74.45 H new ATOM 0 HG22 VAL A 418 -0.187 0.982 3.012 1.00 74.45 H new ATOM 0 HG23 VAL A 418 -1.065 1.094 1.468 1.00 74.45 H new ATOM 913 N THR A 419 -0.815 4.612 4.790 1.00 63.02 N ATOM 914 CA THR A 419 -0.350 5.661 5.604 1.00 63.42 C ATOM 915 C THR A 419 1.037 5.281 6.056 1.00 74.32 C ATOM 916 O THR A 419 1.198 4.335 6.824 1.00 23.12 O ATOM 917 CB THR A 419 -1.298 5.780 6.830 1.00 21.11 C ATOM 918 OG1 THR A 419 -1.547 4.464 7.343 1.00 31.32 O ATOM 919 CG2 THR A 419 -2.612 6.445 6.449 1.00 53.24 C ATOM 0 H THR A 419 -1.052 3.759 5.297 1.00 63.02 H new ATOM 0 HA THR A 419 -0.329 6.614 5.076 1.00 63.42 H new ATOM 0 HB THR A 419 -0.822 6.400 7.589 1.00 21.11 H new ATOM 0 HG1 THR A 419 -2.143 4.523 8.119 1.00 31.32 H new ATOM 0 HG21 THR A 419 -3.253 6.514 7.328 1.00 53.24 H new ATOM 0 HG22 THR A 419 -2.415 7.446 6.064 1.00 53.24 H new ATOM 0 HG23 THR A 419 -3.110 5.853 5.682 1.00 53.24 H new ATOM 925 N VAL A 420 2.036 5.987 5.588 1.00 43.10 N ATOM 926 CA VAL A 420 3.380 5.682 5.969 1.00 23.04 C ATOM 927 C VAL A 420 3.864 6.733 6.933 1.00 31.01 C ATOM 928 O VAL A 420 3.853 7.904 6.634 1.00 62.41 O ATOM 929 CB VAL A 420 4.339 5.505 4.734 1.00 32.12 C ATOM 930 CG1 VAL A 420 4.424 6.751 3.866 1.00 22.33 C ATOM 931 CG2 VAL A 420 5.715 5.063 5.176 1.00 42.41 C ATOM 0 H VAL A 420 1.938 6.773 4.945 1.00 43.10 H new ATOM 0 HA VAL A 420 3.391 4.713 6.468 1.00 23.04 H new ATOM 0 HB VAL A 420 3.902 4.722 4.114 1.00 32.12 H new ATOM 0 HG11 VAL A 420 5.100 6.567 3.031 1.00 22.33 H new ATOM 0 HG12 VAL A 420 3.433 6.996 3.484 1.00 22.33 H new ATOM 0 HG13 VAL A 420 4.800 7.584 4.461 1.00 22.33 H new ATOM 0 HG21 VAL A 420 6.358 4.948 4.303 1.00 42.41 H new ATOM 0 HG22 VAL A 420 6.140 5.812 5.844 1.00 42.41 H new ATOM 0 HG23 VAL A 420 5.640 4.110 5.700 1.00 42.41 H new ATOM 937 N GLU A 421 4.225 6.320 8.109 1.00 51.24 N ATOM 938 CA GLU A 421 4.620 7.261 9.120 1.00 41.20 C ATOM 939 C GLU A 421 6.067 7.074 9.507 1.00 2.52 C ATOM 940 O GLU A 421 6.775 6.267 8.913 1.00 10.41 O ATOM 941 CB GLU A 421 3.731 7.126 10.340 1.00 14.25 C ATOM 942 CG GLU A 421 2.261 7.263 10.043 1.00 55.43 C ATOM 943 CD GLU A 421 1.451 7.198 11.285 1.00 43.22 C ATOM 944 OE1 GLU A 421 1.361 6.121 11.876 1.00 21.52 O ATOM 945 OE2 GLU A 421 0.928 8.238 11.724 1.00 63.24 O ATOM 0 H GLU A 421 4.255 5.341 8.395 1.00 51.24 H new ATOM 0 HA GLU A 421 4.508 8.263 8.707 1.00 41.20 H new ATOM 0 HB2 GLU A 421 3.909 6.155 10.801 1.00 14.25 H new ATOM 0 HB3 GLU A 421 4.016 7.883 11.071 1.00 14.25 H new ATOM 0 HG2 GLU A 421 2.077 8.210 9.536 1.00 55.43 H new ATOM 0 HG3 GLU A 421 1.950 6.471 9.362 1.00 55.43 H new ATOM 952 N CYS A 422 6.485 7.815 10.498 1.00 72.35 N ATOM 953 CA CYS A 422 7.840 7.811 10.982 1.00 62.24 C ATOM 954 C CYS A 422 8.245 6.440 11.456 1.00 41.51 C ATOM 955 O CYS A 422 7.537 5.804 12.235 1.00 31.34 O ATOM 956 CB CYS A 422 7.970 8.819 12.130 1.00 51.13 C ATOM 957 SG CYS A 422 9.607 8.878 12.952 1.00 42.24 S ATOM 0 H CYS A 422 5.875 8.456 11.005 1.00 72.35 H new ATOM 0 HA CYS A 422 8.502 8.093 10.163 1.00 62.24 H new ATOM 0 HB2 CYS A 422 7.741 9.813 11.745 1.00 51.13 H new ATOM 0 HB3 CYS A 422 7.215 8.587 12.881 1.00 51.13 H new ATOM 962 N GLY A 423 9.354 5.987 10.970 1.00 21.35 N ATOM 963 CA GLY A 423 9.885 4.733 11.388 1.00 3.10 C ATOM 964 C GLY A 423 11.329 4.675 11.067 1.00 53.33 C ATOM 965 O GLY A 423 11.878 5.647 10.566 1.00 41.33 O ATOM 0 H GLY A 423 9.916 6.476 10.273 1.00 21.35 H new ATOM 0 HA2 GLY A 423 9.735 4.602 12.460 1.00 3.10 H new ATOM 0 HA3 GLY A 423 9.358 3.919 10.890 1.00 3.10 H new ATOM 969 N VAL A 424 11.954 3.574 11.347 1.00 21.04 N ATOM 970 CA VAL A 424 13.356 3.417 11.022 1.00 73.20 C ATOM 971 C VAL A 424 13.479 2.673 9.693 1.00 71.40 C ATOM 972 O VAL A 424 14.410 2.873 8.932 1.00 71.54 O ATOM 973 CB VAL A 424 14.121 2.643 12.136 1.00 20.20 C ATOM 974 CG1 VAL A 424 15.609 2.529 11.810 1.00 43.24 C ATOM 975 CG2 VAL A 424 13.929 3.316 13.488 1.00 71.03 C ATOM 0 H VAL A 424 11.525 2.766 11.799 1.00 21.04 H new ATOM 0 HA VAL A 424 13.805 4.407 10.943 1.00 73.20 H new ATOM 0 HB VAL A 424 13.706 1.636 12.183 1.00 20.20 H new ATOM 0 HG11 VAL A 424 16.115 1.984 12.607 1.00 43.24 H new ATOM 0 HG12 VAL A 424 15.735 1.995 10.868 1.00 43.24 H new ATOM 0 HG13 VAL A 424 16.040 3.526 11.723 1.00 43.24 H new ATOM 0 HG21 VAL A 424 14.472 2.759 14.252 1.00 71.03 H new ATOM 0 HG22 VAL A 424 14.309 4.336 13.444 1.00 71.03 H new ATOM 0 HG23 VAL A 424 12.868 3.335 13.738 1.00 71.03 H new ATOM 981 N GLU A 425 12.499 1.861 9.404 1.00 1.12 N ATOM 982 CA GLU A 425 12.514 1.031 8.229 1.00 3.21 C ATOM 983 C GLU A 425 11.151 0.946 7.606 1.00 21.31 C ATOM 984 O GLU A 425 10.128 1.014 8.300 1.00 13.55 O ATOM 985 CB GLU A 425 13.037 -0.355 8.600 1.00 65.32 C ATOM 986 CG GLU A 425 13.033 -1.350 7.469 1.00 72.15 C ATOM 987 CD GLU A 425 13.639 -2.672 7.869 1.00 60.32 C ATOM 988 OE1 GLU A 425 12.997 -3.442 8.622 1.00 72.14 O ATOM 989 OE2 GLU A 425 14.759 -2.971 7.424 1.00 43.23 O ATOM 0 H GLU A 425 11.663 1.755 9.979 1.00 1.12 H new ATOM 0 HA GLU A 425 13.177 1.477 7.487 1.00 3.21 H new ATOM 0 HB2 GLU A 425 14.055 -0.256 8.976 1.00 65.32 H new ATOM 0 HB3 GLU A 425 12.433 -0.750 9.417 1.00 65.32 H new ATOM 0 HG2 GLU A 425 12.009 -1.509 7.132 1.00 72.15 H new ATOM 0 HG3 GLU A 425 13.587 -0.939 6.625 1.00 72.15 H new ATOM 996 N ASN A 426 11.161 0.847 6.298 1.00 22.13 N ATOM 997 CA ASN A 426 9.983 0.669 5.485 1.00 24.24 C ATOM 998 C ASN A 426 9.376 -0.711 5.720 1.00 2.12 C ATOM 999 O ASN A 426 9.882 -1.720 5.248 1.00 72.15 O ATOM 1000 CB ASN A 426 10.312 0.930 3.994 1.00 5.41 C ATOM 1001 CG ASN A 426 11.613 0.271 3.541 1.00 70.54 C ATOM 1002 OD1 ASN A 426 12.674 0.887 3.604 1.00 34.33 O ATOM 1003 ND2 ASN A 426 11.552 -0.956 3.143 1.00 1.30 N ATOM 0 H ASN A 426 12.021 0.890 5.752 1.00 22.13 H new ATOM 0 HA ASN A 426 9.229 1.400 5.777 1.00 24.24 H new ATOM 0 HB2 ASN A 426 9.492 0.562 3.378 1.00 5.41 H new ATOM 0 HB3 ASN A 426 10.379 2.005 3.826 1.00 5.41 H new ATOM 0 HD21 ASN A 426 12.403 -1.446 2.868 1.00 1.30 H new ATOM 0 HD22 ASN A 426 10.652 -1.435 3.104 1.00 1.30 H new ATOM 1009 N GLU A 427 8.338 -0.738 6.504 1.00 44.31 N ATOM 1010 CA GLU A 427 7.684 -1.979 6.900 1.00 33.20 C ATOM 1011 C GLU A 427 6.169 -1.876 6.729 1.00 4.31 C ATOM 1012 O GLU A 427 5.603 -0.779 6.861 1.00 43.04 O ATOM 1013 CB GLU A 427 8.031 -2.277 8.369 1.00 22.42 C ATOM 1014 CG GLU A 427 7.411 -3.549 8.919 1.00 13.03 C ATOM 1015 CD GLU A 427 7.859 -4.783 8.176 1.00 52.25 C ATOM 1016 OE1 GLU A 427 7.323 -5.062 7.087 1.00 1.14 O ATOM 1017 OE2 GLU A 427 8.732 -5.494 8.688 1.00 73.01 O ATOM 0 H GLU A 427 7.908 0.100 6.896 1.00 44.31 H new ATOM 0 HA GLU A 427 8.038 -2.789 6.262 1.00 33.20 H new ATOM 0 HB2 GLU A 427 9.115 -2.345 8.466 1.00 22.42 H new ATOM 0 HB3 GLU A 427 7.708 -1.436 8.983 1.00 22.42 H new ATOM 0 HG2 GLU A 427 7.672 -3.649 9.973 1.00 13.03 H new ATOM 0 HG3 GLU A 427 6.325 -3.472 8.865 1.00 13.03 H new ATOM 1024 N ILE A 428 5.516 -3.001 6.432 1.00 40.22 N ATOM 1025 CA ILE A 428 4.077 -3.039 6.332 1.00 52.22 C ATOM 1026 C ILE A 428 3.573 -3.343 7.729 1.00 34.13 C ATOM 1027 O ILE A 428 3.875 -4.401 8.287 1.00 1.23 O ATOM 1028 CB ILE A 428 3.578 -4.180 5.404 1.00 62.45 C ATOM 1029 CG1 ILE A 428 4.289 -4.153 4.039 1.00 31.02 C ATOM 1030 CG2 ILE A 428 2.066 -4.039 5.205 1.00 63.13 C ATOM 1031 CD1 ILE A 428 3.992 -2.927 3.220 1.00 4.43 C ATOM 0 H ILE A 428 5.974 -3.896 6.258 1.00 40.22 H new ATOM 0 HA ILE A 428 3.720 -2.094 5.923 1.00 52.22 H new ATOM 0 HB ILE A 428 3.809 -5.134 5.878 1.00 62.45 H new ATOM 0 HG12 ILE A 428 5.365 -4.218 4.200 1.00 31.02 H new ATOM 0 HG13 ILE A 428 3.997 -5.036 3.471 1.00 31.02 H new ATOM 0 HG21 ILE A 428 1.709 -4.837 4.554 1.00 63.13 H new ATOM 0 HG22 ILE A 428 1.564 -4.106 6.170 1.00 63.13 H new ATOM 0 HG23 ILE A 428 1.848 -3.074 4.749 1.00 63.13 H new ATOM 0 HD11 ILE A 428 4.530 -2.983 2.273 1.00 4.43 H new ATOM 0 HD12 ILE A 428 2.921 -2.870 3.026 1.00 4.43 H new ATOM 0 HD13 ILE A 428 4.310 -2.039 3.766 1.00 4.43 H new ATOM 1038 N VAL A 429 2.842 -2.441 8.288 1.00 44.22 N ATOM 1039 CA VAL A 429 2.371 -2.594 9.642 1.00 71.30 C ATOM 1040 C VAL A 429 1.152 -3.490 9.706 1.00 43.24 C ATOM 1041 O VAL A 429 1.123 -4.462 10.463 1.00 13.33 O ATOM 1042 CB VAL A 429 2.053 -1.208 10.278 1.00 61.32 C ATOM 1043 CG1 VAL A 429 1.354 -1.355 11.612 1.00 65.41 C ATOM 1044 CG2 VAL A 429 3.328 -0.389 10.436 1.00 74.14 C ATOM 0 H VAL A 429 2.549 -1.577 7.832 1.00 44.22 H new ATOM 0 HA VAL A 429 3.170 -3.067 10.214 1.00 71.30 H new ATOM 0 HB VAL A 429 1.376 -0.683 9.604 1.00 61.32 H new ATOM 0 HG11 VAL A 429 1.148 -0.368 12.026 1.00 65.41 H new ATOM 0 HG12 VAL A 429 0.416 -1.893 11.474 1.00 65.41 H new ATOM 0 HG13 VAL A 429 1.993 -1.910 12.299 1.00 65.41 H new ATOM 0 HG21 VAL A 429 3.088 0.576 10.882 1.00 74.14 H new ATOM 0 HG22 VAL A 429 4.026 -0.923 11.081 1.00 74.14 H new ATOM 0 HG23 VAL A 429 3.784 -0.234 9.458 1.00 74.14 H new ATOM 1050 N SER A 430 0.170 -3.201 8.893 1.00 55.31 N ATOM 1051 CA SER A 430 -1.095 -3.897 8.928 1.00 43.44 C ATOM 1052 C SER A 430 -1.897 -3.573 7.694 1.00 62.02 C ATOM 1053 O SER A 430 -1.599 -2.603 6.994 1.00 4.14 O ATOM 1054 CB SER A 430 -1.921 -3.491 10.174 1.00 3.42 C ATOM 1055 OG SER A 430 -1.268 -3.836 11.397 1.00 54.12 O ATOM 0 H SER A 430 0.223 -2.471 8.182 1.00 55.31 H new ATOM 0 HA SER A 430 -0.884 -4.965 8.971 1.00 43.44 H new ATOM 0 HB2 SER A 430 -2.101 -2.416 10.152 1.00 3.42 H new ATOM 0 HB3 SER A 430 -2.895 -3.979 10.135 1.00 3.42 H new ATOM 0 HG SER A 430 -0.501 -4.415 11.206 1.00 54.12 H new ATOM 1061 N VAL A 431 -2.895 -4.377 7.446 1.00 14.21 N ATOM 1062 CA VAL A 431 -3.818 -4.192 6.369 1.00 71.04 C ATOM 1063 C VAL A 431 -5.193 -4.573 6.860 1.00 40.05 C ATOM 1064 O VAL A 431 -5.384 -5.644 7.447 1.00 51.12 O ATOM 1065 CB VAL A 431 -3.428 -4.978 5.073 1.00 4.41 C ATOM 1066 CG1 VAL A 431 -3.205 -6.435 5.355 1.00 62.03 C ATOM 1067 CG2 VAL A 431 -4.492 -4.820 3.999 1.00 73.31 C ATOM 0 H VAL A 431 -3.091 -5.205 8.009 1.00 14.21 H new ATOM 0 HA VAL A 431 -3.798 -3.143 6.072 1.00 71.04 H new ATOM 0 HB VAL A 431 -2.492 -4.552 4.711 1.00 4.41 H new ATOM 0 HG11 VAL A 431 -2.936 -6.947 4.431 1.00 62.03 H new ATOM 0 HG12 VAL A 431 -2.398 -6.546 6.080 1.00 62.03 H new ATOM 0 HG13 VAL A 431 -4.118 -6.871 5.759 1.00 62.03 H new ATOM 0 HG21 VAL A 431 -4.196 -5.376 3.109 1.00 73.31 H new ATOM 0 HG22 VAL A 431 -5.442 -5.206 4.369 1.00 73.31 H new ATOM 0 HG23 VAL A 431 -4.602 -3.765 3.748 1.00 73.31 H new ATOM 1073 N LEU A 432 -6.113 -3.706 6.676 1.00 34.35 N ATOM 1074 CA LEU A 432 -7.436 -3.905 7.146 1.00 53.43 C ATOM 1075 C LEU A 432 -8.399 -3.586 6.028 1.00 34.45 C ATOM 1076 O LEU A 432 -8.183 -2.638 5.284 1.00 11.33 O ATOM 1077 CB LEU A 432 -7.690 -3.020 8.365 1.00 45.00 C ATOM 1078 CG LEU A 432 -8.974 -3.285 9.138 1.00 42.33 C ATOM 1079 CD1 LEU A 432 -8.953 -4.697 9.713 1.00 55.23 C ATOM 1080 CD2 LEU A 432 -9.142 -2.259 10.242 1.00 42.11 C ATOM 0 H LEU A 432 -5.970 -2.822 6.187 1.00 34.35 H new ATOM 0 HA LEU A 432 -7.579 -4.942 7.451 1.00 53.43 H new ATOM 0 HB2 LEU A 432 -6.850 -3.132 9.050 1.00 45.00 H new ATOM 0 HB3 LEU A 432 -7.697 -1.981 8.037 1.00 45.00 H new ATOM 0 HG LEU A 432 -9.823 -3.199 8.459 1.00 42.33 H new ATOM 0 HD11 LEU A 432 -9.875 -4.879 10.265 1.00 55.23 H new ATOM 0 HD12 LEU A 432 -8.867 -5.419 8.901 1.00 55.23 H new ATOM 0 HD13 LEU A 432 -8.101 -4.804 10.385 1.00 55.23 H new ATOM 0 HD21 LEU A 432 -10.064 -2.459 10.788 1.00 42.11 H new ATOM 0 HD22 LEU A 432 -8.295 -2.319 10.926 1.00 42.11 H new ATOM 0 HD23 LEU A 432 -9.187 -1.261 9.807 1.00 42.11 H new ATOM 1088 N GLU A 433 -9.412 -4.382 5.871 1.00 3.24 N ATOM 1089 CA GLU A 433 -10.373 -4.158 4.819 1.00 21.45 C ATOM 1090 C GLU A 433 -11.354 -3.083 5.268 1.00 5.13 C ATOM 1091 O GLU A 433 -12.065 -3.257 6.261 1.00 1.23 O ATOM 1092 CB GLU A 433 -11.129 -5.452 4.521 1.00 3.42 C ATOM 1093 CG GLU A 433 -12.145 -5.341 3.398 1.00 74.11 C ATOM 1094 CD GLU A 433 -12.977 -6.591 3.261 1.00 1.13 C ATOM 1095 OE1 GLU A 433 -14.021 -6.689 3.938 1.00 31.10 O ATOM 1096 OE2 GLU A 433 -12.599 -7.503 2.495 1.00 73.23 O ATOM 0 H GLU A 433 -9.600 -5.196 6.456 1.00 3.24 H new ATOM 0 HA GLU A 433 -9.858 -3.835 3.915 1.00 21.45 H new ATOM 0 HB2 GLU A 433 -10.408 -6.229 4.267 1.00 3.42 H new ATOM 0 HB3 GLU A 433 -11.641 -5.776 5.427 1.00 3.42 H new ATOM 0 HG2 GLU A 433 -12.799 -4.489 3.584 1.00 74.11 H new ATOM 0 HG3 GLU A 433 -11.627 -5.146 2.459 1.00 74.11 H new ATOM 1103 N ALA A 434 -11.354 -1.967 4.563 1.00 62.40 N ATOM 1104 CA ALA A 434 -12.243 -0.865 4.872 1.00 22.54 C ATOM 1105 C ALA A 434 -13.649 -1.204 4.428 1.00 43.21 C ATOM 1106 O ALA A 434 -14.599 -1.158 5.216 1.00 32.32 O ATOM 1107 CB ALA A 434 -11.764 0.412 4.192 1.00 53.33 C ATOM 0 H ALA A 434 -10.741 -1.800 3.765 1.00 62.40 H new ATOM 0 HA ALA A 434 -12.241 -0.699 5.949 1.00 22.54 H new ATOM 0 HB1 ALA A 434 -12.443 1.230 4.434 1.00 53.33 H new ATOM 0 HB2 ALA A 434 -10.761 0.657 4.542 1.00 53.33 H new ATOM 0 HB3 ALA A 434 -11.745 0.264 3.112 1.00 53.33 H new ATOM 1113 N GLN A 435 -13.769 -1.570 3.168 1.00 1.54 N ATOM 1114 CA GLN A 435 -15.048 -1.924 2.593 1.00 73.31 C ATOM 1115 C GLN A 435 -15.013 -3.346 2.061 1.00 63.54 C ATOM 1116 O GLN A 435 -15.618 -4.240 2.631 1.00 34.43 O ATOM 1117 CB GLN A 435 -15.446 -0.940 1.496 1.00 61.51 C ATOM 1118 CG GLN A 435 -15.710 0.472 1.978 1.00 14.32 C ATOM 1119 CD GLN A 435 -16.068 1.401 0.843 1.00 25.21 C ATOM 1120 OE1 GLN A 435 -17.230 1.533 0.477 1.00 35.31 O ATOM 1121 NE2 GLN A 435 -15.091 2.069 0.297 1.00 5.13 N ATOM 0 H GLN A 435 -12.986 -1.630 2.517 1.00 1.54 H new ATOM 0 HA GLN A 435 -15.803 -1.869 3.377 1.00 73.31 H new ATOM 0 HB2 GLN A 435 -14.654 -0.912 0.747 1.00 61.51 H new ATOM 0 HB3 GLN A 435 -16.342 -1.313 0.999 1.00 61.51 H new ATOM 0 HG2 GLN A 435 -16.521 0.460 2.706 1.00 14.32 H new ATOM 0 HG3 GLN A 435 -14.826 0.851 2.491 1.00 14.32 H new ATOM 0 HE21 GLN A 435 -14.135 1.935 0.626 1.00 5.13 H new ATOM 0 HE22 GLN A 435 -15.283 2.726 -0.459 1.00 5.13 H new ATOM 1129 N LYS A 436 -14.321 -3.537 0.950 1.00 40.43 N ATOM 1130 CA LYS A 436 -14.108 -4.864 0.372 1.00 23.44 C ATOM 1131 C LYS A 436 -13.043 -4.809 -0.703 1.00 51.10 C ATOM 1132 O LYS A 436 -12.185 -5.675 -0.793 1.00 44.13 O ATOM 1133 CB LYS A 436 -15.412 -5.540 -0.167 1.00 61.15 C ATOM 1134 CG LYS A 436 -16.172 -4.804 -1.289 1.00 42.23 C ATOM 1135 CD LYS A 436 -16.944 -3.562 -0.817 1.00 13.12 C ATOM 1136 CE LYS A 436 -18.259 -3.890 -0.057 1.00 13.33 C ATOM 1137 NZ LYS A 436 -18.090 -4.686 1.188 1.00 44.21 N ATOM 0 H LYS A 436 -13.889 -2.780 0.420 1.00 40.43 H new ATOM 0 HA LYS A 436 -13.766 -5.498 1.190 1.00 23.44 H new ATOM 0 HB2 LYS A 436 -15.152 -6.534 -0.530 1.00 61.15 H new ATOM 0 HB3 LYS A 436 -16.095 -5.675 0.672 1.00 61.15 H new ATOM 0 HG2 LYS A 436 -15.461 -4.505 -2.059 1.00 42.23 H new ATOM 0 HG3 LYS A 436 -16.872 -5.498 -1.754 1.00 42.23 H new ATOM 0 HD2 LYS A 436 -16.299 -2.970 -0.168 1.00 13.12 H new ATOM 0 HD3 LYS A 436 -17.181 -2.943 -1.682 1.00 13.12 H new ATOM 0 HE2 LYS A 436 -18.758 -2.954 0.194 1.00 13.33 H new ATOM 0 HE3 LYS A 436 -18.922 -4.434 -0.730 1.00 13.33 H new ATOM 0 HZ1 LYS A 436 -18.899 -4.518 1.820 1.00 44.21 H new ATOM 0 HZ2 LYS A 436 -18.041 -5.697 0.950 1.00 44.21 H new ATOM 0 HZ3 LYS A 436 -17.212 -4.400 1.666 1.00 44.21 H new ATOM 1151 N CYS A 437 -13.088 -3.769 -1.490 1.00 10.42 N ATOM 1152 CA CYS A 437 -12.146 -3.585 -2.575 1.00 33.32 C ATOM 1153 C CYS A 437 -11.167 -2.501 -2.212 1.00 14.10 C ATOM 1154 O CYS A 437 -10.360 -2.080 -3.010 1.00 71.32 O ATOM 1155 CB CYS A 437 -12.909 -3.170 -3.812 1.00 61.40 C ATOM 1156 SG CYS A 437 -14.280 -4.289 -4.222 1.00 3.04 S ATOM 0 H CYS A 437 -13.777 -3.022 -1.402 1.00 10.42 H new ATOM 0 HA CYS A 437 -11.606 -4.514 -2.759 1.00 33.32 H new ATOM 0 HB2 CYS A 437 -13.302 -2.164 -3.667 1.00 61.40 H new ATOM 0 HB3 CYS A 437 -12.221 -3.125 -4.656 1.00 61.40 H new ATOM 1161 N GLU A 438 -11.256 -2.066 -1.006 1.00 4.20 N ATOM 1162 CA GLU A 438 -10.445 -1.013 -0.503 1.00 3.31 C ATOM 1163 C GLU A 438 -9.937 -1.385 0.860 1.00 44.42 C ATOM 1164 O GLU A 438 -10.720 -1.794 1.742 1.00 35.24 O ATOM 1165 CB GLU A 438 -11.245 0.273 -0.485 1.00 31.40 C ATOM 1166 CG GLU A 438 -10.592 1.429 0.245 1.00 4.33 C ATOM 1167 CD GLU A 438 -11.429 2.668 0.194 1.00 64.15 C ATOM 1168 OE1 GLU A 438 -12.478 2.714 0.868 1.00 71.33 O ATOM 1169 OE2 GLU A 438 -11.078 3.603 -0.545 1.00 25.22 O ATOM 0 H GLU A 438 -11.913 -2.442 -0.322 1.00 4.20 H new ATOM 0 HA GLU A 438 -9.580 -0.854 -1.147 1.00 3.31 H new ATOM 0 HB2 GLU A 438 -11.438 0.576 -1.514 1.00 31.40 H new ATOM 0 HB3 GLU A 438 -12.213 0.074 -0.025 1.00 31.40 H new ATOM 0 HG2 GLU A 438 -10.420 1.150 1.285 1.00 4.33 H new ATOM 0 HG3 GLU A 438 -9.616 1.632 -0.197 1.00 4.33 H new ATOM 1176 N TYR A 439 -8.652 -1.287 1.029 1.00 64.32 N ATOM 1177 CA TYR A 439 -8.012 -1.674 2.256 1.00 35.43 C ATOM 1178 C TYR A 439 -7.213 -0.506 2.810 1.00 61.43 C ATOM 1179 O TYR A 439 -6.748 0.342 2.055 1.00 5.05 O ATOM 1180 CB TYR A 439 -7.058 -2.848 1.969 1.00 2.24 C ATOM 1181 CG TYR A 439 -7.707 -3.972 1.191 1.00 70.25 C ATOM 1182 CD1 TYR A 439 -8.415 -4.977 1.827 1.00 71.10 C ATOM 1183 CD2 TYR A 439 -7.632 -4.001 -0.197 1.00 32.33 C ATOM 1184 CE1 TYR A 439 -9.024 -5.981 1.102 1.00 2.02 C ATOM 1185 CE2 TYR A 439 -8.237 -4.988 -0.922 1.00 41.31 C ATOM 1186 CZ TYR A 439 -8.930 -5.978 -0.274 1.00 21.41 C ATOM 1187 OH TYR A 439 -9.541 -6.959 -1.004 1.00 15.21 O ATOM 0 H TYR A 439 -8.012 -0.935 0.317 1.00 64.32 H new ATOM 0 HA TYR A 439 -8.767 -1.971 2.984 1.00 35.43 H new ATOM 0 HB2 TYR A 439 -6.197 -2.479 1.411 1.00 2.24 H new ATOM 0 HB3 TYR A 439 -6.681 -3.240 2.914 1.00 2.24 H new ATOM 0 HD1 TYR A 439 -8.492 -4.975 2.904 1.00 71.10 H new ATOM 0 HD2 TYR A 439 -7.084 -3.227 -0.713 1.00 32.33 H new ATOM 0 HE1 TYR A 439 -9.570 -6.763 1.608 1.00 2.02 H new ATOM 0 HE2 TYR A 439 -8.170 -4.989 -2.000 1.00 41.31 H new ATOM 0 HH TYR A 439 -10.497 -6.758 -1.087 1.00 15.21 H new ATOM 1197 N LEU A 440 -7.082 -0.449 4.103 1.00 11.20 N ATOM 1198 CA LEU A 440 -6.241 0.526 4.730 1.00 4.15 C ATOM 1199 C LEU A 440 -5.015 -0.169 5.256 1.00 14.15 C ATOM 1200 O LEU A 440 -5.111 -1.164 5.983 1.00 61.15 O ATOM 1201 CB LEU A 440 -6.938 1.384 5.838 1.00 31.23 C ATOM 1202 CG LEU A 440 -7.596 0.670 7.040 1.00 25.21 C ATOM 1203 CD1 LEU A 440 -7.853 1.677 8.148 1.00 60.53 C ATOM 1204 CD2 LEU A 440 -8.927 0.062 6.641 1.00 75.43 C ATOM 0 H LEU A 440 -7.556 -1.077 4.752 1.00 11.20 H new ATOM 0 HA LEU A 440 -5.973 1.258 3.968 1.00 4.15 H new ATOM 0 HB2 LEU A 440 -6.194 2.076 6.234 1.00 31.23 H new ATOM 0 HB3 LEU A 440 -7.706 1.986 5.353 1.00 31.23 H new ATOM 0 HG LEU A 440 -6.922 -0.117 7.378 1.00 25.21 H new ATOM 0 HD11 LEU A 440 -8.317 1.174 8.996 1.00 60.53 H new ATOM 0 HD12 LEU A 440 -6.909 2.121 8.462 1.00 60.53 H new ATOM 0 HD13 LEU A 440 -8.518 2.459 7.782 1.00 60.53 H new ATOM 0 HD21 LEU A 440 -9.373 -0.436 7.502 1.00 75.43 H new ATOM 0 HD22 LEU A 440 -9.596 0.848 6.290 1.00 75.43 H new ATOM 0 HD23 LEU A 440 -8.771 -0.664 5.843 1.00 75.43 H new ATOM 1212 N ILE A 441 -3.893 0.307 4.844 1.00 51.23 N ATOM 1213 CA ILE A 441 -2.615 -0.267 5.184 1.00 44.03 C ATOM 1214 C ILE A 441 -1.736 0.797 5.814 1.00 3.01 C ATOM 1215 O ILE A 441 -1.655 1.916 5.321 1.00 50.33 O ATOM 1216 CB ILE A 441 -1.931 -0.811 3.896 1.00 43.11 C ATOM 1217 CG1 ILE A 441 -2.763 -1.939 3.290 1.00 54.24 C ATOM 1218 CG2 ILE A 441 -0.501 -1.286 4.173 1.00 41.23 C ATOM 1219 CD1 ILE A 441 -2.327 -2.376 1.911 1.00 62.22 C ATOM 0 H ILE A 441 -3.824 1.129 4.244 1.00 51.23 H new ATOM 0 HA ILE A 441 -2.759 -1.084 5.890 1.00 44.03 H new ATOM 0 HB ILE A 441 -1.871 0.008 3.180 1.00 43.11 H new ATOM 0 HG12 ILE A 441 -2.724 -2.800 3.958 1.00 54.24 H new ATOM 0 HG13 ILE A 441 -3.804 -1.619 3.242 1.00 54.24 H new ATOM 0 HG21 ILE A 441 -0.056 -1.659 3.250 1.00 41.23 H new ATOM 0 HG22 ILE A 441 0.092 -0.453 4.551 1.00 41.23 H new ATOM 0 HG23 ILE A 441 -0.520 -2.084 4.915 1.00 41.23 H new ATOM 0 HD11 ILE A 441 -2.975 -3.180 1.562 1.00 62.22 H new ATOM 0 HD12 ILE A 441 -2.394 -1.532 1.224 1.00 62.22 H new ATOM 0 HD13 ILE A 441 -1.297 -2.731 1.951 1.00 62.22 H new ATOM 1226 N LYS A 442 -1.104 0.475 6.901 1.00 70.31 N ATOM 1227 CA LYS A 442 -0.228 1.414 7.519 1.00 32.25 C ATOM 1228 C LYS A 442 1.199 0.925 7.410 1.00 74.11 C ATOM 1229 O LYS A 442 1.450 -0.273 7.478 1.00 72.23 O ATOM 1230 CB LYS A 442 -0.652 1.698 8.954 1.00 63.15 C ATOM 1231 CG LYS A 442 0.163 2.788 9.654 1.00 41.23 C ATOM 1232 CD LYS A 442 -0.466 3.170 10.979 1.00 35.44 C ATOM 1233 CE LYS A 442 -0.579 1.976 11.878 1.00 31.33 C ATOM 1234 NZ LYS A 442 -1.193 2.287 13.181 1.00 15.44 N ATOM 0 H LYS A 442 -1.179 -0.426 7.374 1.00 70.31 H new ATOM 0 HA LYS A 442 -0.289 2.368 6.996 1.00 32.25 H new ATOM 0 HB2 LYS A 442 -1.702 1.989 8.958 1.00 63.15 H new ATOM 0 HB3 LYS A 442 -0.574 0.777 9.531 1.00 63.15 H new ATOM 0 HG2 LYS A 442 1.181 2.436 9.819 1.00 41.23 H new ATOM 0 HG3 LYS A 442 0.229 3.666 9.012 1.00 41.23 H new ATOM 0 HD2 LYS A 442 0.135 3.940 11.463 1.00 35.44 H new ATOM 0 HD3 LYS A 442 -1.454 3.597 10.808 1.00 35.44 H new ATOM 0 HE2 LYS A 442 -1.170 1.208 11.379 1.00 31.33 H new ATOM 0 HE3 LYS A 442 0.414 1.557 12.042 1.00 31.33 H new ATOM 0 HZ1 LYS A 442 -1.243 1.422 13.756 1.00 15.44 H new ATOM 0 HZ2 LYS A 442 -0.617 2.999 13.675 1.00 15.44 H new ATOM 0 HZ3 LYS A 442 -2.152 2.660 13.032 1.00 15.44 H new ATOM 1248 N MET A 443 2.104 1.835 7.182 1.00 2.02 N ATOM 1249 CA MET A 443 3.498 1.541 7.002 1.00 51.11 C ATOM 1250 C MET A 443 4.311 2.546 7.757 1.00 1.33 C ATOM 1251 O MET A 443 3.778 3.543 8.249 1.00 3.10 O ATOM 1252 CB MET A 443 3.902 1.615 5.527 1.00 51.31 C ATOM 1253 CG MET A 443 3.237 0.606 4.620 1.00 21.13 C ATOM 1254 SD MET A 443 3.841 0.715 2.929 1.00 21.31 S ATOM 1255 CE MET A 443 5.593 0.413 3.185 1.00 63.15 C ATOM 0 H MET A 443 1.886 2.829 7.114 1.00 2.02 H new ATOM 0 HA MET A 443 3.677 0.530 7.367 1.00 51.11 H new ATOM 0 HB2 MET A 443 3.677 2.615 5.156 1.00 51.31 H new ATOM 0 HB3 MET A 443 4.982 1.485 5.457 1.00 51.31 H new ATOM 0 HG2 MET A 443 3.415 -0.399 5.004 1.00 21.13 H new ATOM 0 HG3 MET A 443 2.159 0.765 4.630 1.00 21.13 H new ATOM 0 HE1 MET A 443 6.045 0.080 2.251 1.00 63.15 H new ATOM 0 HE2 MET A 443 6.076 1.333 3.514 1.00 63.15 H new ATOM 0 HE3 MET A 443 5.722 -0.357 3.946 1.00 63.15 H new ATOM 1265 N LYS A 444 5.577 2.289 7.875 1.00 22.10 N ATOM 1266 CA LYS A 444 6.485 3.227 8.489 1.00 31.21 C ATOM 1267 C LYS A 444 7.704 3.307 7.632 1.00 60.05 C ATOM 1268 O LYS A 444 8.002 2.367 6.903 1.00 24.34 O ATOM 1269 CB LYS A 444 6.898 2.788 9.883 1.00 72.22 C ATOM 1270 CG LYS A 444 5.764 2.512 10.805 1.00 15.21 C ATOM 1271 CD LYS A 444 5.161 3.784 11.316 1.00 4.13 C ATOM 1272 CE LYS A 444 3.945 3.460 12.113 1.00 4.23 C ATOM 1273 NZ LYS A 444 3.336 4.622 12.807 1.00 2.10 N ATOM 0 H LYS A 444 6.016 1.427 7.551 1.00 22.10 H new ATOM 0 HA LYS A 444 5.985 4.191 8.578 1.00 31.21 H new ATOM 0 HB2 LYS A 444 7.510 1.889 9.801 1.00 72.22 H new ATOM 0 HB3 LYS A 444 7.527 3.562 10.323 1.00 72.22 H new ATOM 0 HG2 LYS A 444 5.003 1.928 10.286 1.00 15.21 H new ATOM 0 HG3 LYS A 444 6.112 1.909 11.643 1.00 15.21 H new ATOM 0 HD2 LYS A 444 5.882 4.321 11.932 1.00 4.13 H new ATOM 0 HD3 LYS A 444 4.902 4.439 10.484 1.00 4.13 H new ATOM 0 HE2 LYS A 444 3.200 3.017 11.452 1.00 4.23 H new ATOM 0 HE3 LYS A 444 4.203 2.704 12.855 1.00 4.23 H new ATOM 0 HZ1 LYS A 444 2.786 4.289 13.624 1.00 2.10 H new ATOM 0 HZ2 LYS A 444 4.086 5.264 13.133 1.00 2.10 H new ATOM 0 HZ3 LYS A 444 2.708 5.129 12.150 1.00 2.10 H new ATOM 1287 N SER A 445 8.370 4.413 7.694 1.00 21.04 N ATOM 1288 CA SER A 445 9.617 4.670 6.943 1.00 40.34 C ATOM 1289 C SER A 445 10.327 5.900 7.541 1.00 1.32 C ATOM 1290 O SER A 445 9.664 6.788 8.094 1.00 1.42 O ATOM 1291 CB SER A 445 9.326 4.918 5.426 1.00 55.15 C ATOM 1292 OG SER A 445 8.789 3.773 4.800 1.00 22.40 O ATOM 0 H SER A 445 8.079 5.200 8.274 1.00 21.04 H new ATOM 0 HA SER A 445 10.256 3.791 7.026 1.00 40.34 H new ATOM 0 HB2 SER A 445 8.629 5.750 5.321 1.00 55.15 H new ATOM 0 HB3 SER A 445 10.248 5.209 4.922 1.00 55.15 H new ATOM 0 HG SER A 445 8.328 3.222 5.466 1.00 22.40 H new ATOM 1298 N PRO A 446 11.675 5.975 7.458 1.00 72.40 N ATOM 1299 CA PRO A 446 12.437 7.118 8.003 1.00 14.43 C ATOM 1300 C PRO A 446 12.156 8.410 7.240 1.00 15.43 C ATOM 1301 O PRO A 446 12.216 9.510 7.800 1.00 60.13 O ATOM 1302 CB PRO A 446 13.903 6.696 7.827 1.00 44.31 C ATOM 1303 CG PRO A 446 13.885 5.668 6.746 1.00 34.40 C ATOM 1304 CD PRO A 446 12.567 4.953 6.866 1.00 13.22 C ATOM 0 HA PRO A 446 12.169 7.330 9.038 1.00 14.43 H new ATOM 0 HB2 PRO A 446 14.528 7.546 7.552 1.00 44.31 H new ATOM 0 HB3 PRO A 446 14.309 6.288 8.752 1.00 44.31 H new ATOM 0 HG2 PRO A 446 13.987 6.133 5.765 1.00 34.40 H new ATOM 0 HG3 PRO A 446 14.717 4.972 6.857 1.00 34.40 H new ATOM 0 HD2 PRO A 446 12.203 4.616 5.896 1.00 13.22 H new ATOM 0 HD3 PRO A 446 12.645 4.071 7.502 1.00 13.22 H new ATOM 1312 N ALA A 447 11.800 8.263 5.980 1.00 0.44 N ATOM 1313 CA ALA A 447 11.511 9.387 5.116 1.00 44.44 C ATOM 1314 C ALA A 447 10.169 10.017 5.472 1.00 12.24 C ATOM 1315 O ALA A 447 9.916 11.186 5.163 1.00 70.53 O ATOM 1316 CB ALA A 447 11.517 8.936 3.670 1.00 41.53 C ATOM 0 H ALA A 447 11.703 7.355 5.525 1.00 0.44 H new ATOM 0 HA ALA A 447 12.284 10.143 5.258 1.00 44.44 H new ATOM 0 HB1 ALA A 447 11.299 9.786 3.023 1.00 41.53 H new ATOM 0 HB2 ALA A 447 12.497 8.531 3.419 1.00 41.53 H new ATOM 0 HB3 ALA A 447 10.759 8.166 3.526 1.00 41.53 H new ATOM 1322 N ALA A 448 9.328 9.253 6.170 1.00 43.53 N ATOM 1323 CA ALA A 448 8.001 9.715 6.533 1.00 43.52 C ATOM 1324 C ALA A 448 8.041 10.337 7.895 1.00 63.30 C ATOM 1325 O ALA A 448 7.009 10.675 8.479 1.00 11.05 O ATOM 1326 CB ALA A 448 7.021 8.570 6.523 1.00 22.31 C ATOM 0 H ALA A 448 9.549 8.311 6.493 1.00 43.53 H new ATOM 0 HA ALA A 448 7.676 10.456 5.803 1.00 43.52 H new ATOM 0 HB1 ALA A 448 6.032 8.936 6.798 1.00 22.31 H new ATOM 0 HB2 ALA A 448 6.982 8.133 5.525 1.00 22.31 H new ATOM 0 HB3 ALA A 448 7.339 7.812 7.239 1.00 22.31 H new ATOM 1332 N CYS A 449 9.219 10.496 8.398 1.00 31.34 N ATOM 1333 CA CYS A 449 9.394 11.055 9.679 1.00 41.44 C ATOM 1334 C CYS A 449 9.834 12.486 9.503 1.00 74.41 C ATOM 1335 O CYS A 449 10.850 12.757 8.867 1.00 51.32 O ATOM 1336 CB CYS A 449 10.453 10.262 10.437 1.00 70.13 C ATOM 1337 SG CYS A 449 10.480 10.559 12.222 1.00 72.11 S ATOM 0 H CYS A 449 10.085 10.238 7.924 1.00 31.34 H new ATOM 0 HA CYS A 449 8.465 11.020 10.249 1.00 41.44 H new ATOM 0 HB2 CYS A 449 10.288 9.199 10.261 1.00 70.13 H new ATOM 0 HB3 CYS A 449 11.433 10.504 10.026 1.00 70.13 H new ATOM 1342 N SER A 450 9.051 13.388 10.028 1.00 1.13 N ATOM 1343 CA SER A 450 9.297 14.798 9.941 1.00 34.14 C ATOM 1344 C SER A 450 8.341 15.470 10.910 1.00 61.02 C ATOM 1345 O SER A 450 8.700 15.623 12.091 1.00 37.61 O ATOM 1346 CB SER A 450 9.068 15.299 8.489 1.00 74.02 C ATOM 1347 OG SER A 450 9.433 16.672 8.331 1.00 75.14 O ATOM 1348 OXT SER A 450 7.191 15.767 10.520 1.00 37.61 O ATOM 0 H SER A 450 8.201 13.154 10.542 1.00 1.13 H new ATOM 0 HA SER A 450 10.329 15.035 10.198 1.00 34.14 H new ATOM 0 HB2 SER A 450 9.650 14.688 7.799 1.00 74.02 H new ATOM 0 HB3 SER A 450 8.019 15.170 8.222 1.00 74.02 H new ATOM 0 HG SER A 450 9.275 16.948 7.404 1.00 75.14 H new TER 1354 SER A 450