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 426 ASN : amide:sc= -1.46! K(o=-0.24!,f=-4.8) USER MOD Set 1.2: A 445 SER OG : rot 85:sc= 1.22 USER MOD Set 2.1: A 407 SER OG : rot -18:sc= 0.313 USER MOD Set 2.2: A 413 HIS : no HD1:sc= -0.247 K(o=0.067,f=-0.74) USER MOD Set 3.1: A 379 TYR OH : rot 81:sc= 0.0207 USER MOD Set 3.2: A 395 GLN : amide:sc= -4.15! C(o=-4.1!,f=-4.1!) USER MOD Set 4.1: A 374 TYR OH : rot -40:sc= -0.61 USER MOD Set 4.2: A 384 GLN : amide:sc= 0.875 K(o=0.27,f=-0.43) 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 363 MET CE :methyl 165:sc= -0.0655 (180deg=-0.41) USER MOD Single : A 365 THR OG1 : rot -70:sc= -0.067 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 -92:sc= 1.17 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN : amide:sc= -0.868 K(o=-0.87,f=-2.4!) USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 391 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 398 ASN : amide:sc= 1.07 K(o=1.1,f=-3.2!) USER MOD Single : A 401 LYS NZ :NH3+ -177:sc= 1.96 (180deg=1.93) USER MOD Single : A 402 TYR OH : rot -70:sc= -1.75 USER MOD Single : A 404 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 406 GLN :FLIP amide:sc= -0.48 F(o=-1.8!,f=-0.48) USER MOD Single : A 410 ASN : amide:sc= -3.08! C(o=-3.1!,f=-8.4!) USER MOD Single : A 415 SER OG : rot -21:sc= 0.0976 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= 1.22 K(o=1.2,f=-0.028) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 439 TYR OH : rot -128:sc= 0.551 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl 152:sc= -0.858 (180deg=-3.14) USER MOD Single : A 444 LYS NZ :NH3+ -140:sc= 1.14 (180deg=-0.694) USER MOD Single : A 450 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 10.168 13.234 4.761 1.00 11.31 N ATOM 2 CA TYR A 357 10.153 13.762 3.405 1.00 35.21 C ATOM 3 C TYR A 357 8.914 13.232 2.685 1.00 43.33 C ATOM 4 O TYR A 357 7.879 13.882 2.681 1.00 35.53 O ATOM 5 CB TYR A 357 11.462 13.374 2.661 1.00 13.31 C ATOM 6 CG TYR A 357 11.640 13.990 1.281 1.00 44.41 C ATOM 7 CD1 TYR A 357 11.130 13.376 0.142 1.00 21.21 C ATOM 8 CD2 TYR A 357 12.326 15.184 1.127 1.00 21.54 C ATOM 9 CE1 TYR A 357 11.297 13.939 -1.106 1.00 22.42 C ATOM 10 CE2 TYR A 357 12.495 15.749 -0.118 1.00 13.40 C ATOM 11 CZ TYR A 357 11.980 15.125 -1.231 1.00 34.14 C ATOM 12 OH TYR A 357 12.138 15.699 -2.471 1.00 72.32 O ATOM 0 HA TYR A 357 10.106 14.851 3.425 1.00 35.21 H new ATOM 0 HB2 TYR A 357 12.311 13.663 3.281 1.00 13.31 H new ATOM 0 HB3 TYR A 357 11.495 12.289 2.562 1.00 13.31 H new ATOM 0 HD1 TYR A 357 10.594 12.443 0.236 1.00 21.21 H new ATOM 0 HD2 TYR A 357 12.734 15.679 1.996 1.00 21.54 H new ATOM 0 HE1 TYR A 357 10.893 13.450 -1.980 1.00 22.42 H new ATOM 0 HE2 TYR A 357 13.031 16.681 -0.220 1.00 13.40 H new ATOM 0 HH TYR A 357 12.643 16.534 -2.383 1.00 72.32 H new ATOM 24 N ARG A 358 9.022 12.026 2.145 1.00 12.34 N ATOM 25 CA ARG A 358 7.958 11.303 1.439 1.00 13.21 C ATOM 26 C ARG A 358 8.431 9.882 1.391 1.00 51.13 C ATOM 27 O ARG A 358 9.534 9.607 1.857 1.00 54.31 O ATOM 28 CB ARG A 358 7.735 11.806 -0.033 1.00 13.25 C ATOM 29 CG ARG A 358 7.287 13.255 -0.178 1.00 11.45 C ATOM 30 CD ARG A 358 7.052 13.641 -1.630 1.00 40.20 C ATOM 31 NE ARG A 358 6.722 15.068 -1.748 1.00 13.32 N ATOM 32 CZ ARG A 358 6.327 15.700 -2.859 1.00 32.25 C ATOM 33 NH1 ARG A 358 6.060 15.020 -3.967 1.00 62.54 N ATOM 34 NH2 ARG A 358 6.156 17.013 -2.841 1.00 64.45 N ATOM 0 H ARG A 358 9.892 11.495 2.186 1.00 12.34 H new ATOM 0 HA ARG A 358 7.008 11.446 1.954 1.00 13.21 H new ATOM 0 HB2 ARG A 358 8.665 11.676 -0.586 1.00 13.25 H new ATOM 0 HB3 ARG A 358 6.990 11.166 -0.507 1.00 13.25 H new ATOM 0 HG2 ARG A 358 6.369 13.408 0.390 1.00 11.45 H new ATOM 0 HG3 ARG A 358 8.042 13.912 0.253 1.00 11.45 H new ATOM 0 HD2 ARG A 358 7.943 13.420 -2.218 1.00 40.20 H new ATOM 0 HD3 ARG A 358 6.241 13.041 -2.043 1.00 40.20 H new ATOM 0 HE ARG A 358 6.802 15.631 -0.901 1.00 13.32 H new ATOM 0 HH11 ARG A 358 6.155 14.005 -3.978 1.00 62.54 H new ATOM 0 HH12 ARG A 358 5.760 15.513 -4.808 1.00 62.54 H new ATOM 0 HH21 ARG A 358 6.325 17.538 -1.983 1.00 64.45 H new ATOM 0 HH22 ARG A 358 5.855 17.500 -3.685 1.00 64.45 H new ATOM 46 N ALA A 359 7.652 8.992 0.852 1.00 61.53 N ATOM 47 CA ALA A 359 8.083 7.615 0.730 1.00 71.02 C ATOM 48 C ALA A 359 9.093 7.479 -0.427 1.00 23.13 C ATOM 49 O ALA A 359 9.046 8.245 -1.397 1.00 63.34 O ATOM 50 CB ALA A 359 6.897 6.683 0.574 1.00 71.02 C ATOM 0 H ALA A 359 6.718 9.184 0.489 1.00 61.53 H new ATOM 0 HA ALA A 359 8.590 7.319 1.648 1.00 71.02 H new ATOM 0 HB1 ALA A 359 7.251 5.656 0.485 1.00 71.02 H new ATOM 0 HB2 ALA A 359 6.249 6.769 1.446 1.00 71.02 H new ATOM 0 HB3 ALA A 359 6.337 6.953 -0.321 1.00 71.02 H new ATOM 56 N ILE A 360 9.990 6.515 -0.318 1.00 42.55 N ATOM 57 CA ILE A 360 11.097 6.363 -1.268 1.00 3.34 C ATOM 58 C ILE A 360 10.686 5.643 -2.554 1.00 12.32 C ATOM 59 O ILE A 360 10.279 4.493 -2.541 1.00 74.33 O ATOM 60 CB ILE A 360 12.321 5.643 -0.605 1.00 55.45 C ATOM 61 CG1 ILE A 360 13.446 5.337 -1.613 1.00 52.22 C ATOM 62 CG2 ILE A 360 11.915 4.412 0.188 1.00 20.40 C ATOM 63 CD1 ILE A 360 14.063 6.570 -2.238 1.00 43.43 C ATOM 0 H ILE A 360 9.979 5.815 0.424 1.00 42.55 H new ATOM 0 HA ILE A 360 11.393 7.373 -1.550 1.00 3.34 H new ATOM 0 HB ILE A 360 12.732 6.353 0.113 1.00 55.45 H new ATOM 0 HG12 ILE A 360 14.227 4.768 -1.109 1.00 52.22 H new ATOM 0 HG13 ILE A 360 13.048 4.701 -2.404 1.00 52.22 H new ATOM 0 HG21 ILE A 360 12.801 3.952 0.625 1.00 20.40 H new ATOM 0 HG22 ILE A 360 11.227 4.701 0.982 1.00 20.40 H new ATOM 0 HG23 ILE A 360 11.425 3.698 -0.474 1.00 20.40 H new ATOM 0 HD11 ILE A 360 14.846 6.272 -2.935 1.00 43.43 H new ATOM 0 HD12 ILE A 360 13.295 7.130 -2.772 1.00 43.43 H new ATOM 0 HD13 ILE A 360 14.492 7.198 -1.457 1.00 43.43 H new ATOM 70 N LYS A 361 10.834 6.342 -3.661 1.00 42.15 N ATOM 71 CA LYS A 361 10.494 5.828 -4.969 1.00 34.24 C ATOM 72 C LYS A 361 11.447 4.710 -5.382 1.00 34.22 C ATOM 73 O LYS A 361 12.645 4.754 -5.083 1.00 62.33 O ATOM 74 CB LYS A 361 10.533 6.965 -6.000 1.00 35.12 C ATOM 75 CG LYS A 361 10.257 6.518 -7.423 1.00 24.42 C ATOM 76 CD LYS A 361 10.276 7.677 -8.391 1.00 12.41 C ATOM 77 CE LYS A 361 10.074 7.185 -9.806 1.00 44.31 C ATOM 78 NZ LYS A 361 9.988 8.279 -10.789 1.00 3.42 N ATOM 0 H LYS A 361 11.198 7.295 -3.676 1.00 42.15 H new ATOM 0 HA LYS A 361 9.486 5.414 -4.926 1.00 34.24 H new ATOM 0 HB2 LYS A 361 9.800 7.721 -5.719 1.00 35.12 H new ATOM 0 HB3 LYS A 361 11.513 7.441 -5.963 1.00 35.12 H new ATOM 0 HG2 LYS A 361 11.003 5.782 -7.723 1.00 24.42 H new ATOM 0 HG3 LYS A 361 9.286 6.024 -7.467 1.00 24.42 H new ATOM 0 HD2 LYS A 361 9.492 8.389 -8.131 1.00 12.41 H new ATOM 0 HD3 LYS A 361 11.226 8.207 -8.315 1.00 12.41 H new ATOM 0 HE2 LYS A 361 10.898 6.525 -10.076 1.00 44.31 H new ATOM 0 HE3 LYS A 361 9.161 6.591 -9.851 1.00 44.31 H new ATOM 0 HZ1 LYS A 361 9.850 7.881 -11.740 1.00 3.42 H new ATOM 0 HZ2 LYS A 361 9.185 8.896 -10.552 1.00 3.42 H new ATOM 0 HZ3 LYS A 361 10.868 8.833 -10.770 1.00 3.42 H new ATOM 92 N GLY A 362 10.903 3.699 -6.027 1.00 12.24 N ATOM 93 CA GLY A 362 11.700 2.595 -6.494 1.00 5.53 C ATOM 94 C GLY A 362 11.768 1.486 -5.494 1.00 13.52 C ATOM 95 O GLY A 362 11.802 0.309 -5.870 1.00 33.41 O ATOM 0 H GLY A 362 9.908 3.623 -6.238 1.00 12.24 H new ATOM 0 HA2 GLY A 362 11.282 2.216 -7.427 1.00 5.53 H new ATOM 0 HA3 GLY A 362 12.708 2.945 -6.715 1.00 5.53 H new ATOM 99 N MET A 363 11.789 1.845 -4.218 1.00 24.22 N ATOM 100 CA MET A 363 11.844 0.871 -3.166 1.00 15.42 C ATOM 101 C MET A 363 10.618 -0.019 -3.180 1.00 30.43 C ATOM 102 O MET A 363 9.474 0.460 -3.254 1.00 54.33 O ATOM 103 CB MET A 363 11.968 1.559 -1.816 1.00 40.12 C ATOM 104 CG MET A 363 11.950 0.612 -0.620 1.00 40.25 C ATOM 105 SD MET A 363 13.296 -0.593 -0.619 1.00 70.13 S ATOM 106 CE MET A 363 14.732 0.486 -0.545 1.00 2.10 C ATOM 0 H MET A 363 11.768 2.813 -3.897 1.00 24.22 H new ATOM 0 HA MET A 363 12.722 0.247 -3.333 1.00 15.42 H new ATOM 0 HB2 MET A 363 12.896 2.130 -1.797 1.00 40.12 H new ATOM 0 HB3 MET A 363 11.152 2.274 -1.710 1.00 40.12 H new ATOM 0 HG2 MET A 363 12.001 1.199 0.297 1.00 40.25 H new ATOM 0 HG3 MET A 363 10.999 0.080 -0.605 1.00 40.25 H new ATOM 0 HE1 MET A 363 15.612 -0.097 -0.272 1.00 2.10 H new ATOM 0 HE2 MET A 363 14.891 0.948 -1.520 1.00 2.10 H new ATOM 0 HE3 MET A 363 14.565 1.263 0.201 1.00 2.10 H new ATOM 116 N GLU A 364 10.857 -1.295 -3.146 1.00 62.02 N ATOM 117 CA GLU A 364 9.810 -2.247 -3.069 1.00 21.12 C ATOM 118 C GLU A 364 9.782 -2.835 -1.668 1.00 52.30 C ATOM 119 O GLU A 364 10.764 -3.400 -1.193 1.00 41.31 O ATOM 120 CB GLU A 364 9.959 -3.316 -4.154 1.00 32.24 C ATOM 121 CG GLU A 364 11.260 -4.091 -4.133 1.00 1.32 C ATOM 122 CD GLU A 364 11.351 -5.055 -5.276 1.00 3.53 C ATOM 123 OE1 GLU A 364 10.769 -6.156 -5.191 1.00 13.15 O ATOM 124 OE2 GLU A 364 11.989 -4.719 -6.298 1.00 63.43 O ATOM 0 H GLU A 364 11.793 -1.700 -3.171 1.00 62.02 H new ATOM 0 HA GLU A 364 8.852 -1.762 -3.255 1.00 21.12 H new ATOM 0 HB2 GLU A 364 9.134 -4.022 -4.059 1.00 32.24 H new ATOM 0 HB3 GLU A 364 9.858 -2.837 -5.128 1.00 32.24 H new ATOM 0 HG2 GLU A 364 12.098 -3.396 -4.176 1.00 1.32 H new ATOM 0 HG3 GLU A 364 11.345 -4.634 -3.192 1.00 1.32 H new ATOM 131 N THR A 365 8.694 -2.649 -1.003 1.00 62.20 N ATOM 132 CA THR A 365 8.531 -3.115 0.345 1.00 10.15 C ATOM 133 C THR A 365 7.580 -4.299 0.354 1.00 51.24 C ATOM 134 O THR A 365 6.581 -4.290 -0.354 1.00 22.13 O ATOM 135 CB THR A 365 7.984 -1.974 1.220 1.00 62.13 C ATOM 136 OG1 THR A 365 8.900 -0.879 1.189 1.00 35.32 O ATOM 137 CG2 THR A 365 7.745 -2.420 2.654 1.00 13.33 C ATOM 0 H THR A 365 7.879 -2.164 -1.378 1.00 62.20 H new ATOM 0 HA THR A 365 9.493 -3.432 0.748 1.00 10.15 H new ATOM 0 HB THR A 365 7.020 -1.666 0.815 1.00 62.13 H new ATOM 0 HG1 THR A 365 9.714 -1.120 1.679 1.00 35.32 H new ATOM 0 HG21 THR A 365 7.359 -1.583 3.236 1.00 13.33 H new ATOM 0 HG22 THR A 365 7.021 -3.235 2.666 1.00 13.33 H new ATOM 0 HG23 THR A 365 8.684 -2.763 3.090 1.00 13.33 H new ATOM 143 N LYS A 366 7.898 -5.313 1.124 1.00 4.23 N ATOM 144 CA LYS A 366 7.079 -6.486 1.182 1.00 40.54 C ATOM 145 C LYS A 366 7.053 -7.067 2.579 1.00 24.05 C ATOM 146 O LYS A 366 8.049 -6.998 3.303 1.00 14.01 O ATOM 147 CB LYS A 366 7.543 -7.487 0.155 1.00 61.32 C ATOM 148 CG LYS A 366 8.981 -7.909 0.295 1.00 13.25 C ATOM 149 CD LYS A 366 9.439 -8.639 -0.935 1.00 30.34 C ATOM 150 CE LYS A 366 8.605 -9.871 -1.221 1.00 33.22 C ATOM 151 NZ LYS A 366 9.135 -10.634 -2.362 1.00 21.54 N ATOM 0 H LYS A 366 8.725 -5.342 1.720 1.00 4.23 H new ATOM 0 HA LYS A 366 6.051 -6.213 0.942 1.00 40.54 H new ATOM 0 HB2 LYS A 366 6.911 -8.372 0.219 1.00 61.32 H new ATOM 0 HB3 LYS A 366 7.398 -7.062 -0.838 1.00 61.32 H new ATOM 0 HG2 LYS A 366 9.608 -7.033 0.460 1.00 13.25 H new ATOM 0 HG3 LYS A 366 9.094 -8.551 1.169 1.00 13.25 H new ATOM 0 HD2 LYS A 366 9.393 -7.966 -1.791 1.00 30.34 H new ATOM 0 HD3 LYS A 366 10.482 -8.930 -0.814 1.00 30.34 H new ATOM 0 HE2 LYS A 366 8.582 -10.508 -0.337 1.00 33.22 H new ATOM 0 HE3 LYS A 366 7.577 -9.574 -1.428 1.00 33.22 H new ATOM 0 HZ1 LYS A 366 8.539 -11.470 -2.528 1.00 21.54 H new ATOM 0 HZ2 LYS A 366 9.134 -10.034 -3.211 1.00 21.54 H new ATOM 0 HZ3 LYS A 366 10.108 -10.938 -2.154 1.00 21.54 H new ATOM 165 N ARG A 367 5.919 -7.616 2.967 1.00 22.35 N ATOM 166 CA ARG A 367 5.745 -8.142 4.308 1.00 62.13 C ATOM 167 C ARG A 367 4.560 -9.106 4.293 1.00 1.33 C ATOM 168 O ARG A 367 3.537 -8.822 3.673 1.00 52.51 O ATOM 169 CB ARG A 367 5.505 -6.931 5.245 1.00 4.20 C ATOM 170 CG ARG A 367 5.609 -7.140 6.762 1.00 33.31 C ATOM 171 CD ARG A 367 4.446 -7.848 7.411 1.00 60.34 C ATOM 172 NE ARG A 367 4.592 -7.807 8.880 1.00 74.22 N ATOM 173 CZ ARG A 367 3.723 -8.302 9.772 1.00 4.14 C ATOM 174 NH1 ARG A 367 2.721 -9.071 9.377 1.00 3.24 N ATOM 175 NH2 ARG A 367 3.908 -8.073 11.064 1.00 74.42 N ATOM 0 H ARG A 367 5.098 -7.710 2.368 1.00 22.35 H new ATOM 0 HA ARG A 367 6.616 -8.693 4.662 1.00 62.13 H new ATOM 0 HB2 ARG A 367 6.217 -6.153 4.969 1.00 4.20 H new ATOM 0 HB3 ARG A 367 4.509 -6.541 5.033 1.00 4.20 H new ATOM 0 HG2 ARG A 367 6.516 -7.707 6.970 1.00 33.31 H new ATOM 0 HG3 ARG A 367 5.727 -6.166 7.236 1.00 33.31 H new ATOM 0 HD2 ARG A 367 3.510 -7.374 7.116 1.00 60.34 H new ATOM 0 HD3 ARG A 367 4.402 -8.882 7.070 1.00 60.34 H new ATOM 0 HE ARG A 367 5.431 -7.361 9.250 1.00 74.22 H new ATOM 0 HH11 ARG A 367 2.606 -9.291 8.388 1.00 3.24 H new ATOM 0 HH12 ARG A 367 2.064 -9.444 10.062 1.00 3.24 H new ATOM 0 HH21 ARG A 367 4.708 -7.523 11.375 1.00 74.42 H new ATOM 0 HH22 ARG A 367 3.250 -8.447 11.748 1.00 74.42 H new ATOM 187 N GLU A 368 4.707 -10.231 4.948 1.00 51.32 N ATOM 188 CA GLU A 368 3.660 -11.253 4.976 1.00 22.15 C ATOM 189 C GLU A 368 2.665 -10.935 6.039 1.00 34.34 C ATOM 190 O GLU A 368 3.020 -10.751 7.196 1.00 4.43 O ATOM 191 CB GLU A 368 4.205 -12.673 5.216 1.00 33.00 C ATOM 192 CG GLU A 368 5.027 -13.300 4.088 1.00 30.12 C ATOM 193 CD GLU A 368 6.280 -12.556 3.747 1.00 31.45 C ATOM 194 OE1 GLU A 368 7.222 -12.543 4.571 1.00 44.50 O ATOM 195 OE2 GLU A 368 6.352 -11.981 2.651 1.00 35.10 O ATOM 0 H GLU A 368 5.545 -10.474 5.477 1.00 51.32 H new ATOM 0 HA GLU A 368 3.194 -11.241 3.991 1.00 22.15 H new ATOM 0 HB2 GLU A 368 4.822 -12.652 6.114 1.00 33.00 H new ATOM 0 HB3 GLU A 368 3.360 -13.329 5.425 1.00 33.00 H new ATOM 0 HG2 GLU A 368 5.290 -14.319 4.370 1.00 30.12 H new ATOM 0 HG3 GLU A 368 4.405 -13.367 3.196 1.00 30.12 H new ATOM 202 N ILE A 369 1.427 -10.860 5.673 1.00 41.42 N ATOM 203 CA ILE A 369 0.401 -10.534 6.606 1.00 2.52 C ATOM 204 C ILE A 369 -0.683 -11.550 6.447 1.00 71.05 C ATOM 205 O ILE A 369 -1.249 -11.674 5.386 1.00 33.11 O ATOM 206 CB ILE A 369 -0.139 -9.120 6.316 1.00 15.23 C ATOM 207 CG1 ILE A 369 1.033 -8.148 6.284 1.00 55.45 C ATOM 208 CG2 ILE A 369 -1.125 -8.705 7.399 1.00 42.24 C ATOM 209 CD1 ILE A 369 0.703 -6.786 5.809 1.00 21.33 C ATOM 0 H ILE A 369 1.100 -11.023 4.721 1.00 41.42 H new ATOM 0 HA ILE A 369 0.783 -10.543 7.627 1.00 2.52 H new ATOM 0 HB ILE A 369 -0.655 -9.113 5.356 1.00 15.23 H new ATOM 0 HG12 ILE A 369 1.452 -8.075 7.287 1.00 55.45 H new ATOM 0 HG13 ILE A 369 1.811 -8.562 5.643 1.00 55.45 H new ATOM 0 HG21 ILE A 369 -1.501 -7.704 7.185 1.00 42.24 H new ATOM 0 HG22 ILE A 369 -1.958 -9.408 7.422 1.00 42.24 H new ATOM 0 HG23 ILE A 369 -0.624 -8.705 8.367 1.00 42.24 H new ATOM 0 HD11 ILE A 369 1.601 -6.169 5.822 1.00 21.33 H new ATOM 0 HD12 ILE A 369 0.314 -6.840 4.792 1.00 21.33 H new ATOM 0 HD13 ILE A 369 -0.050 -6.345 6.462 1.00 21.33 H new ATOM 216 N GLY A 370 -0.921 -12.321 7.474 1.00 21.12 N ATOM 217 CA GLY A 370 -1.918 -13.363 7.408 1.00 21.21 C ATOM 218 C GLY A 370 -1.539 -14.469 6.440 1.00 23.43 C ATOM 219 O GLY A 370 -2.379 -15.266 6.045 1.00 60.20 O ATOM 0 H GLY A 370 -0.438 -12.249 8.370 1.00 21.12 H new ATOM 0 HA2 GLY A 370 -2.062 -13.788 8.402 1.00 21.21 H new ATOM 0 HA3 GLY A 370 -2.872 -12.930 7.105 1.00 21.21 H new ATOM 223 N GLY A 371 -0.279 -14.503 6.046 1.00 21.44 N ATOM 224 CA GLY A 371 0.170 -15.518 5.149 1.00 20.10 C ATOM 225 C GLY A 371 0.472 -14.983 3.776 1.00 5.53 C ATOM 226 O GLY A 371 1.306 -15.538 3.051 1.00 65.34 O ATOM 0 H GLY A 371 0.437 -13.838 6.338 1.00 21.44 H new ATOM 0 HA2 GLY A 371 1.065 -15.988 5.557 1.00 20.10 H new ATOM 0 HA3 GLY A 371 -0.592 -16.294 5.073 1.00 20.10 H new ATOM 230 N TYR A 372 -0.166 -13.893 3.424 1.00 1.14 N ATOM 231 CA TYR A 372 0.005 -13.332 2.123 1.00 23.15 C ATOM 232 C TYR A 372 1.010 -12.203 2.140 1.00 70.14 C ATOM 233 O TYR A 372 1.008 -11.368 3.040 1.00 5.53 O ATOM 234 CB TYR A 372 -1.352 -12.902 1.516 1.00 1.12 C ATOM 235 CG TYR A 372 -2.218 -12.024 2.397 1.00 35.44 C ATOM 236 CD1 TYR A 372 -1.951 -10.687 2.551 1.00 14.10 C ATOM 237 CD2 TYR A 372 -3.320 -12.554 3.065 1.00 40.34 C ATOM 238 CE1 TYR A 372 -2.742 -9.888 3.337 1.00 1.51 C ATOM 239 CE2 TYR A 372 -4.122 -11.760 3.860 1.00 11.31 C ATOM 240 CZ TYR A 372 -3.826 -10.423 3.992 1.00 22.15 C ATOM 241 OH TYR A 372 -4.621 -9.615 4.777 1.00 24.33 O ATOM 0 H TYR A 372 -0.809 -13.382 4.029 1.00 1.14 H new ATOM 0 HA TYR A 372 0.412 -14.106 1.473 1.00 23.15 H new ATOM 0 HB2 TYR A 372 -1.160 -12.372 0.583 1.00 1.12 H new ATOM 0 HB3 TYR A 372 -1.916 -13.799 1.262 1.00 1.12 H new ATOM 0 HD1 TYR A 372 -1.101 -10.255 2.043 1.00 14.10 H new ATOM 0 HD2 TYR A 372 -3.551 -13.604 2.959 1.00 40.34 H new ATOM 0 HE1 TYR A 372 -2.513 -8.838 3.441 1.00 1.51 H new ATOM 0 HE2 TYR A 372 -4.973 -12.184 4.373 1.00 11.31 H new ATOM 0 HH TYR A 372 -5.344 -10.148 5.168 1.00 24.33 H new ATOM 251 N THR A 373 1.878 -12.201 1.170 1.00 25.51 N ATOM 252 CA THR A 373 2.885 -11.190 1.055 1.00 22.22 C ATOM 253 C THR A 373 2.307 -9.922 0.461 1.00 41.43 C ATOM 254 O THR A 373 1.806 -9.925 -0.664 1.00 25.02 O ATOM 255 CB THR A 373 4.045 -11.679 0.163 1.00 23.41 C ATOM 256 OG1 THR A 373 4.610 -12.876 0.719 1.00 24.14 O ATOM 257 CG2 THR A 373 5.135 -10.617 0.033 1.00 31.22 C ATOM 0 H THR A 373 1.906 -12.906 0.433 1.00 25.51 H new ATOM 0 HA THR A 373 3.260 -10.980 2.057 1.00 22.22 H new ATOM 0 HB THR A 373 3.644 -11.880 -0.830 1.00 23.41 H new ATOM 0 HG1 THR A 373 5.350 -12.641 1.317 1.00 24.14 H new ATOM 0 HG21 THR A 373 5.937 -10.994 -0.602 1.00 31.22 H new ATOM 0 HG22 THR A 373 4.714 -9.716 -0.412 1.00 31.22 H new ATOM 0 HG23 THR A 373 5.534 -10.382 1.020 1.00 31.22 H new ATOM 263 N TYR A 374 2.355 -8.862 1.206 1.00 52.21 N ATOM 264 CA TYR A 374 1.968 -7.600 0.705 1.00 33.22 C ATOM 265 C TYR A 374 3.168 -6.936 0.129 1.00 23.43 C ATOM 266 O TYR A 374 4.220 -6.929 0.754 1.00 11.51 O ATOM 267 CB TYR A 374 1.378 -6.744 1.796 1.00 34.05 C ATOM 268 CG TYR A 374 -0.050 -6.474 1.555 1.00 2.31 C ATOM 269 CD1 TYR A 374 -0.428 -5.609 0.547 1.00 75.54 C ATOM 270 CD2 TYR A 374 -1.027 -7.081 2.304 1.00 14.11 C ATOM 271 CE1 TYR A 374 -1.728 -5.349 0.288 1.00 54.11 C ATOM 272 CE2 TYR A 374 -2.358 -6.820 2.047 1.00 12.32 C ATOM 273 CZ TYR A 374 -2.701 -5.956 1.041 1.00 13.45 C ATOM 274 OH TYR A 374 -4.026 -5.707 0.786 1.00 35.15 O ATOM 0 H TYR A 374 2.665 -8.857 2.178 1.00 52.21 H new ATOM 0 HA TYR A 374 1.204 -7.734 -0.061 1.00 33.22 H new ATOM 0 HB2 TYR A 374 1.498 -7.243 2.757 1.00 34.05 H new ATOM 0 HB3 TYR A 374 1.923 -5.802 1.856 1.00 34.05 H new ATOM 0 HD1 TYR A 374 0.334 -5.129 -0.049 1.00 75.54 H new ATOM 0 HD2 TYR A 374 -0.754 -7.764 3.095 1.00 14.11 H new ATOM 0 HE1 TYR A 374 -1.999 -4.669 -0.506 1.00 54.11 H new ATOM 0 HE2 TYR A 374 -3.127 -7.296 2.638 1.00 12.32 H new ATOM 0 HH TYR A 374 -4.147 -4.756 0.582 1.00 35.15 H new ATOM 284 N LYS A 375 3.038 -6.404 -1.054 1.00 20.44 N ATOM 285 CA LYS A 375 4.169 -5.805 -1.710 1.00 61.10 C ATOM 286 C LYS A 375 3.777 -4.453 -2.240 1.00 62.15 C ATOM 287 O LYS A 375 2.797 -4.334 -2.953 1.00 3.01 O ATOM 288 CB LYS A 375 4.646 -6.664 -2.884 1.00 64.32 C ATOM 289 CG LYS A 375 6.038 -6.283 -3.377 1.00 12.11 C ATOM 290 CD LYS A 375 6.374 -6.929 -4.705 1.00 25.42 C ATOM 291 CE LYS A 375 5.572 -6.314 -5.853 1.00 25.52 C ATOM 292 NZ LYS A 375 5.902 -6.943 -7.155 1.00 71.23 N ATOM 0 H LYS A 375 2.166 -6.372 -1.582 1.00 20.44 H new ATOM 0 HA LYS A 375 4.976 -5.719 -0.982 1.00 61.10 H new ATOM 0 HB2 LYS A 375 4.648 -7.712 -2.583 1.00 64.32 H new ATOM 0 HB3 LYS A 375 3.937 -6.570 -3.707 1.00 64.32 H new ATOM 0 HG2 LYS A 375 6.102 -5.199 -3.476 1.00 12.11 H new ATOM 0 HG3 LYS A 375 6.778 -6.579 -2.634 1.00 12.11 H new ATOM 0 HD2 LYS A 375 7.440 -6.817 -4.905 1.00 25.42 H new ATOM 0 HD3 LYS A 375 6.171 -7.998 -4.651 1.00 25.42 H new ATOM 0 HE2 LYS A 375 4.506 -6.428 -5.654 1.00 25.52 H new ATOM 0 HE3 LYS A 375 5.774 -5.244 -5.905 1.00 25.52 H new ATOM 0 HZ1 LYS A 375 5.338 -6.499 -7.908 1.00 71.23 H new ATOM 0 HZ2 LYS A 375 6.914 -6.812 -7.357 1.00 71.23 H new ATOM 0 HZ3 LYS A 375 5.686 -7.959 -7.114 1.00 71.23 H new ATOM 306 N VAL A 376 4.529 -3.464 -1.902 1.00 62.04 N ATOM 307 CA VAL A 376 4.288 -2.123 -2.357 1.00 21.32 C ATOM 308 C VAL A 376 5.540 -1.561 -3.024 1.00 75.24 C ATOM 309 O VAL A 376 6.611 -1.484 -2.409 1.00 14.53 O ATOM 310 CB VAL A 376 3.803 -1.192 -1.181 1.00 32.25 C ATOM 311 CG1 VAL A 376 4.781 -1.204 -0.030 1.00 12.51 C ATOM 312 CG2 VAL A 376 3.594 0.238 -1.653 1.00 51.53 C ATOM 0 H VAL A 376 5.342 -3.556 -1.293 1.00 62.04 H new ATOM 0 HA VAL A 376 3.486 -2.153 -3.094 1.00 21.32 H new ATOM 0 HB VAL A 376 2.849 -1.591 -0.837 1.00 32.25 H new ATOM 0 HG11 VAL A 376 4.417 -0.552 0.764 1.00 12.51 H new ATOM 0 HG12 VAL A 376 4.881 -2.220 0.352 1.00 12.51 H new ATOM 0 HG13 VAL A 376 5.752 -0.849 -0.374 1.00 12.51 H new ATOM 0 HG21 VAL A 376 3.260 0.852 -0.817 1.00 51.53 H new ATOM 0 HG22 VAL A 376 4.532 0.634 -2.042 1.00 51.53 H new ATOM 0 HG23 VAL A 376 2.840 0.255 -2.440 1.00 51.53 H new ATOM 318 N VAL A 377 5.433 -1.234 -4.284 1.00 61.35 N ATOM 319 CA VAL A 377 6.522 -0.596 -4.967 1.00 14.24 C ATOM 320 C VAL A 377 6.138 0.841 -5.160 1.00 2.31 C ATOM 321 O VAL A 377 5.159 1.147 -5.861 1.00 61.10 O ATOM 322 CB VAL A 377 6.850 -1.258 -6.321 1.00 40.41 C ATOM 323 CG1 VAL A 377 8.074 -0.598 -6.951 1.00 63.42 C ATOM 324 CG2 VAL A 377 7.087 -2.748 -6.137 1.00 51.24 C ATOM 0 H VAL A 377 4.604 -1.399 -4.856 1.00 61.35 H new ATOM 0 HA VAL A 377 7.428 -0.691 -4.368 1.00 14.24 H new ATOM 0 HB VAL A 377 6.000 -1.122 -6.990 1.00 40.41 H new ATOM 0 HG11 VAL A 377 8.294 -1.075 -7.906 1.00 63.42 H new ATOM 0 HG12 VAL A 377 7.874 0.461 -7.112 1.00 63.42 H new ATOM 0 HG13 VAL A 377 8.930 -0.708 -6.285 1.00 63.42 H new ATOM 0 HG21 VAL A 377 7.317 -3.202 -7.101 1.00 51.24 H new ATOM 0 HG22 VAL A 377 7.923 -2.902 -5.455 1.00 51.24 H new ATOM 0 HG23 VAL A 377 6.191 -3.211 -5.723 1.00 51.24 H new ATOM 330 N PHE A 378 6.896 1.719 -4.553 1.00 74.51 N ATOM 331 CA PHE A 378 6.552 3.113 -4.514 1.00 23.23 C ATOM 332 C PHE A 378 6.525 3.778 -5.871 1.00 3.43 C ATOM 333 O PHE A 378 7.469 3.671 -6.667 1.00 13.41 O ATOM 334 CB PHE A 378 7.387 3.881 -3.507 1.00 22.43 C ATOM 335 CG PHE A 378 7.194 3.405 -2.090 1.00 20.14 C ATOM 336 CD1 PHE A 378 6.069 3.762 -1.374 1.00 12.53 C ATOM 337 CD2 PHE A 378 8.143 2.607 -1.474 1.00 42.34 C ATOM 338 CE1 PHE A 378 5.893 3.334 -0.074 1.00 5.21 C ATOM 339 CE2 PHE A 378 7.976 2.176 -0.180 1.00 72.14 C ATOM 340 CZ PHE A 378 6.850 2.541 0.523 1.00 32.25 C ATOM 0 H PHE A 378 7.766 1.486 -4.074 1.00 74.51 H new ATOM 0 HA PHE A 378 5.520 3.145 -4.165 1.00 23.23 H new ATOM 0 HB2 PHE A 378 8.440 3.791 -3.774 1.00 22.43 H new ATOM 0 HB3 PHE A 378 7.133 4.939 -3.566 1.00 22.43 H new ATOM 0 HD1 PHE A 378 5.317 4.384 -1.837 1.00 12.53 H new ATOM 0 HD2 PHE A 378 9.029 2.318 -2.020 1.00 42.34 H new ATOM 0 HE1 PHE A 378 5.008 3.620 0.475 1.00 5.21 H new ATOM 0 HE2 PHE A 378 8.726 1.553 0.284 1.00 72.14 H new ATOM 0 HZ PHE A 378 6.716 2.207 1.541 1.00 32.25 H new ATOM 350 N TYR A 379 5.400 4.454 -6.105 1.00 24.15 N ATOM 351 CA TYR A 379 5.068 5.175 -7.328 1.00 41.22 C ATOM 352 C TYR A 379 4.742 4.243 -8.476 1.00 11.11 C ATOM 353 O TYR A 379 4.635 4.664 -9.623 1.00 44.33 O ATOM 354 CB TYR A 379 6.109 6.237 -7.686 1.00 61.15 C ATOM 355 CG TYR A 379 6.190 7.339 -6.647 1.00 14.32 C ATOM 356 CD1 TYR A 379 5.367 8.459 -6.726 1.00 75.03 C ATOM 357 CD2 TYR A 379 7.076 7.252 -5.587 1.00 64.25 C ATOM 358 CE1 TYR A 379 5.435 9.458 -5.772 1.00 72.21 C ATOM 359 CE2 TYR A 379 7.153 8.238 -4.635 1.00 20.42 C ATOM 360 CZ TYR A 379 6.337 9.335 -4.724 1.00 73.32 C ATOM 361 OH TYR A 379 6.432 10.323 -3.772 1.00 72.25 O ATOM 0 H TYR A 379 4.658 4.515 -5.408 1.00 24.15 H new ATOM 0 HA TYR A 379 4.150 5.726 -7.125 1.00 41.22 H new ATOM 0 HB2 TYR A 379 7.086 5.765 -7.788 1.00 61.15 H new ATOM 0 HB3 TYR A 379 5.863 6.672 -8.655 1.00 61.15 H new ATOM 0 HD1 TYR A 379 4.666 8.549 -7.543 1.00 75.03 H new ATOM 0 HD2 TYR A 379 7.721 6.389 -5.507 1.00 64.25 H new ATOM 0 HE1 TYR A 379 4.794 10.324 -5.842 1.00 72.21 H new ATOM 0 HE2 TYR A 379 7.854 8.149 -3.819 1.00 20.42 H new ATOM 0 HH TYR A 379 5.710 10.218 -3.118 1.00 72.25 H new ATOM 371 N GLU A 380 4.532 2.979 -8.152 1.00 13.15 N ATOM 372 CA GLU A 380 4.141 2.015 -9.143 1.00 13.41 C ATOM 373 C GLU A 380 2.854 1.298 -8.798 1.00 71.30 C ATOM 374 O GLU A 380 1.763 1.719 -9.218 1.00 22.32 O ATOM 375 CB GLU A 380 5.249 1.008 -9.463 1.00 72.22 C ATOM 376 CG GLU A 380 6.405 1.594 -10.224 1.00 65.05 C ATOM 377 CD GLU A 380 7.453 0.576 -10.555 1.00 24.42 C ATOM 378 OE1 GLU A 380 7.252 -0.209 -11.510 1.00 54.32 O ATOM 379 OE2 GLU A 380 8.482 0.528 -9.875 1.00 54.45 O ATOM 0 H GLU A 380 4.628 2.605 -7.208 1.00 13.15 H new ATOM 0 HA GLU A 380 3.956 2.600 -10.044 1.00 13.41 H new ATOM 0 HB2 GLU A 380 5.619 0.582 -8.531 1.00 72.22 H new ATOM 0 HB3 GLU A 380 4.825 0.188 -10.042 1.00 72.22 H new ATOM 0 HG2 GLU A 380 6.037 2.044 -11.146 1.00 65.05 H new ATOM 0 HG3 GLU A 380 6.854 2.394 -9.636 1.00 65.05 H new ATOM 386 N ASN A 381 2.963 0.270 -7.987 1.00 32.11 N ATOM 387 CA ASN A 381 1.852 -0.622 -7.746 1.00 25.41 C ATOM 388 C ASN A 381 2.002 -1.406 -6.442 1.00 75.53 C ATOM 389 O ASN A 381 3.082 -1.446 -5.837 1.00 25.32 O ATOM 390 CB ASN A 381 1.708 -1.570 -8.961 1.00 22.14 C ATOM 391 CG ASN A 381 3.020 -2.279 -9.334 1.00 11.04 C ATOM 392 OD1 ASN A 381 3.851 -2.591 -8.483 1.00 14.34 O ATOM 393 ND2 ASN A 381 3.233 -2.491 -10.611 1.00 63.20 N ATOM 0 H ASN A 381 3.815 0.030 -7.481 1.00 32.11 H new ATOM 0 HA ASN A 381 0.946 -0.027 -7.630 1.00 25.41 H new ATOM 0 HB2 ASN A 381 0.947 -2.319 -8.741 1.00 22.14 H new ATOM 0 HB3 ASN A 381 1.354 -0.999 -9.819 1.00 22.14 H new ATOM 0 HD21 ASN A 381 4.104 -2.924 -10.918 1.00 63.20 H new ATOM 0 HD22 ASN A 381 2.527 -2.223 -11.297 1.00 63.20 H new ATOM 399 N VAL A 382 0.903 -1.993 -6.009 1.00 34.51 N ATOM 400 CA VAL A 382 0.838 -2.795 -4.798 1.00 64.31 C ATOM 401 C VAL A 382 0.241 -4.145 -5.137 1.00 31.51 C ATOM 402 O VAL A 382 -0.666 -4.232 -5.960 1.00 44.52 O ATOM 403 CB VAL A 382 -0.048 -2.113 -3.704 1.00 23.00 C ATOM 404 CG1 VAL A 382 -0.137 -2.953 -2.433 1.00 52.22 C ATOM 405 CG2 VAL A 382 0.494 -0.761 -3.367 1.00 4.32 C ATOM 0 H VAL A 382 0.010 -1.925 -6.498 1.00 34.51 H new ATOM 0 HA VAL A 382 1.849 -2.901 -4.404 1.00 64.31 H new ATOM 0 HB VAL A 382 -1.052 -2.018 -4.118 1.00 23.00 H new ATOM 0 HG11 VAL A 382 -0.762 -2.441 -1.701 1.00 52.22 H new ATOM 0 HG12 VAL A 382 -0.575 -3.923 -2.668 1.00 52.22 H new ATOM 0 HG13 VAL A 382 0.862 -3.096 -2.021 1.00 52.22 H new ATOM 0 HG21 VAL A 382 -0.132 -0.298 -2.605 1.00 4.32 H new ATOM 0 HG22 VAL A 382 1.512 -0.861 -2.989 1.00 4.32 H new ATOM 0 HG23 VAL A 382 0.498 -0.137 -4.261 1.00 4.32 H new ATOM 411 N PHE A 383 0.745 -5.177 -4.522 1.00 75.02 N ATOM 412 CA PHE A 383 0.282 -6.524 -4.742 1.00 71.00 C ATOM 413 C PHE A 383 0.059 -7.244 -3.442 1.00 14.43 C ATOM 414 O PHE A 383 0.693 -6.940 -2.432 1.00 41.44 O ATOM 415 CB PHE A 383 1.287 -7.322 -5.582 1.00 25.02 C ATOM 416 CG PHE A 383 1.374 -6.908 -7.013 1.00 13.21 C ATOM 417 CD1 PHE A 383 2.177 -5.857 -7.404 1.00 30.03 C ATOM 418 CD2 PHE A 383 0.644 -7.576 -7.970 1.00 41.11 C ATOM 419 CE1 PHE A 383 2.249 -5.484 -8.724 1.00 74.12 C ATOM 420 CE2 PHE A 383 0.714 -7.209 -9.292 1.00 45.01 C ATOM 421 CZ PHE A 383 1.518 -6.161 -9.670 1.00 65.12 C ATOM 0 H PHE A 383 1.502 -5.108 -3.842 1.00 75.02 H new ATOM 0 HA PHE A 383 -0.664 -6.450 -5.279 1.00 71.00 H new ATOM 0 HB2 PHE A 383 2.274 -7.226 -5.130 1.00 25.02 H new ATOM 0 HB3 PHE A 383 1.018 -8.377 -5.539 1.00 25.02 H new ATOM 0 HD1 PHE A 383 2.755 -5.322 -6.665 1.00 30.03 H new ATOM 0 HD2 PHE A 383 0.008 -8.399 -7.678 1.00 41.11 H new ATOM 0 HE1 PHE A 383 2.880 -4.659 -9.018 1.00 74.12 H new ATOM 0 HE2 PHE A 383 0.138 -7.743 -10.033 1.00 45.01 H new ATOM 0 HZ PHE A 383 1.575 -5.870 -10.708 1.00 65.12 H new ATOM 431 N GLN A 384 -0.850 -8.176 -3.467 1.00 71.52 N ATOM 432 CA GLN A 384 -1.071 -9.048 -2.364 1.00 33.33 C ATOM 433 C GLN A 384 -0.878 -10.441 -2.886 1.00 32.42 C ATOM 434 O GLN A 384 -1.715 -10.941 -3.655 1.00 50.33 O ATOM 435 CB GLN A 384 -2.478 -8.926 -1.815 1.00 70.14 C ATOM 436 CG GLN A 384 -2.667 -9.658 -0.504 1.00 42.31 C ATOM 437 CD GLN A 384 -4.105 -9.759 -0.086 1.00 64.21 C ATOM 438 OE1 GLN A 384 -4.782 -10.720 -0.405 1.00 4.25 O ATOM 439 NE2 GLN A 384 -4.586 -8.781 0.597 1.00 62.45 N ATOM 0 H GLN A 384 -1.462 -8.349 -4.265 1.00 71.52 H new ATOM 0 HA GLN A 384 -0.385 -8.797 -1.555 1.00 33.33 H new ATOM 0 HB2 GLN A 384 -2.717 -7.872 -1.674 1.00 70.14 H new ATOM 0 HB3 GLN A 384 -3.183 -9.317 -2.548 1.00 70.14 H new ATOM 0 HG2 GLN A 384 -2.249 -10.661 -0.592 1.00 42.31 H new ATOM 0 HG3 GLN A 384 -2.104 -9.145 0.276 1.00 42.31 H new ATOM 0 HE21 GLN A 384 -3.990 -7.992 0.847 1.00 62.45 H new ATOM 0 HE22 GLN A 384 -5.563 -8.795 0.889 1.00 62.45 H new ATOM 447 N ASP A 385 0.232 -11.034 -2.518 1.00 44.04 N ATOM 448 CA ASP A 385 0.641 -12.386 -2.932 1.00 21.42 C ATOM 449 C ASP A 385 1.026 -12.396 -4.403 1.00 53.12 C ATOM 450 O ASP A 385 2.196 -12.451 -4.749 1.00 72.32 O ATOM 451 CB ASP A 385 -0.460 -13.408 -2.670 1.00 13.45 C ATOM 452 CG ASP A 385 -0.001 -14.829 -2.889 1.00 1.15 C ATOM 453 OD1 ASP A 385 0.633 -15.405 -1.984 1.00 13.31 O ATOM 454 OD2 ASP A 385 -0.273 -15.393 -3.964 1.00 44.41 O ATOM 0 H ASP A 385 0.910 -10.587 -1.901 1.00 44.04 H new ATOM 0 HA ASP A 385 1.508 -12.667 -2.335 1.00 21.42 H new ATOM 0 HB2 ASP A 385 -0.814 -13.299 -1.645 1.00 13.45 H new ATOM 0 HB3 ASP A 385 -1.307 -13.199 -3.324 1.00 13.45 H new ATOM 459 N SER A 386 0.039 -12.335 -5.245 1.00 13.00 N ATOM 460 CA SER A 386 0.223 -12.250 -6.677 1.00 45.42 C ATOM 461 C SER A 386 -0.893 -11.418 -7.302 1.00 55.33 C ATOM 462 O SER A 386 -0.861 -11.104 -8.498 1.00 3.24 O ATOM 463 CB SER A 386 0.257 -13.647 -7.299 1.00 33.11 C ATOM 464 OG SER A 386 1.342 -14.411 -6.784 1.00 40.11 O ATOM 0 H SER A 386 -0.940 -12.343 -4.958 1.00 13.00 H new ATOM 0 HA SER A 386 1.178 -11.763 -6.875 1.00 45.42 H new ATOM 0 HB2 SER A 386 -0.682 -14.161 -7.097 1.00 33.11 H new ATOM 0 HB3 SER A 386 0.348 -13.564 -8.382 1.00 33.11 H new ATOM 0 HG SER A 386 1.341 -15.300 -7.196 1.00 40.11 H new ATOM 470 N ILE A 387 -1.880 -11.059 -6.495 1.00 33.33 N ATOM 471 CA ILE A 387 -2.988 -10.272 -6.979 1.00 53.32 C ATOM 472 C ILE A 387 -2.668 -8.787 -6.878 1.00 41.51 C ATOM 473 O ILE A 387 -2.140 -8.330 -5.864 1.00 52.32 O ATOM 474 CB ILE A 387 -4.307 -10.629 -6.227 1.00 42.11 C ATOM 475 CG1 ILE A 387 -4.649 -12.110 -6.491 1.00 72.33 C ATOM 476 CG2 ILE A 387 -5.455 -9.715 -6.645 1.00 43.25 C ATOM 477 CD1 ILE A 387 -5.976 -12.583 -5.916 1.00 23.34 C ATOM 0 H ILE A 387 -1.930 -11.303 -5.506 1.00 33.33 H new ATOM 0 HA ILE A 387 -3.146 -10.511 -8.031 1.00 53.32 H new ATOM 0 HB ILE A 387 -4.159 -10.477 -5.158 1.00 42.11 H new ATOM 0 HG12 ILE A 387 -4.658 -12.277 -7.568 1.00 72.33 H new ATOM 0 HG13 ILE A 387 -3.852 -12.729 -6.079 1.00 72.33 H new ATOM 0 HG21 ILE A 387 -6.358 -9.993 -6.101 1.00 43.25 H new ATOM 0 HG22 ILE A 387 -5.198 -8.681 -6.417 1.00 43.25 H new ATOM 0 HG23 ILE A 387 -5.631 -9.818 -7.716 1.00 43.25 H new ATOM 0 HD11 ILE A 387 -6.122 -13.636 -6.156 1.00 23.34 H new ATOM 0 HD12 ILE A 387 -5.970 -12.455 -4.834 1.00 23.34 H new ATOM 0 HD13 ILE A 387 -6.788 -11.997 -6.346 1.00 23.34 H new ATOM 484 N LEU A 388 -2.989 -8.041 -7.925 1.00 3.02 N ATOM 485 CA LEU A 388 -2.712 -6.624 -7.968 1.00 34.53 C ATOM 486 C LEU A 388 -3.706 -5.895 -7.108 1.00 42.14 C ATOM 487 O LEU A 388 -4.916 -5.982 -7.309 1.00 24.00 O ATOM 488 CB LEU A 388 -2.771 -6.115 -9.415 1.00 15.53 C ATOM 489 CG LEU A 388 -2.618 -4.600 -9.632 1.00 14.51 C ATOM 490 CD1 LEU A 388 -1.279 -4.086 -9.138 1.00 34.32 C ATOM 491 CD2 LEU A 388 -2.809 -4.262 -11.089 1.00 41.40 C ATOM 0 H LEU A 388 -3.446 -8.404 -8.761 1.00 3.02 H new ATOM 0 HA LEU A 388 -1.709 -6.439 -7.585 1.00 34.53 H new ATOM 0 HB2 LEU A 388 -1.989 -6.619 -9.983 1.00 15.53 H new ATOM 0 HB3 LEU A 388 -3.725 -6.423 -9.843 1.00 15.53 H new ATOM 0 HG LEU A 388 -3.390 -4.104 -9.044 1.00 14.51 H new ATOM 0 HD11 LEU A 388 -1.215 -3.012 -9.312 1.00 34.32 H new ATOM 0 HD12 LEU A 388 -1.183 -4.288 -8.071 1.00 34.32 H new ATOM 0 HD13 LEU A 388 -0.475 -4.589 -9.676 1.00 34.32 H new ATOM 0 HD21 LEU A 388 -2.698 -3.187 -11.231 1.00 41.40 H new ATOM 0 HD22 LEU A 388 -2.061 -4.785 -11.685 1.00 41.40 H new ATOM 0 HD23 LEU A 388 -3.806 -4.569 -11.406 1.00 41.40 H new ATOM 499 N LEU A 389 -3.200 -5.208 -6.147 1.00 40.31 N ATOM 500 CA LEU A 389 -3.987 -4.521 -5.240 1.00 42.41 C ATOM 501 C LEU A 389 -4.374 -3.189 -5.848 1.00 11.41 C ATOM 502 O LEU A 389 -5.530 -2.953 -6.113 1.00 24.44 O ATOM 503 CB LEU A 389 -3.154 -4.334 -4.020 1.00 61.13 C ATOM 504 CG LEU A 389 -3.843 -4.296 -2.701 1.00 13.53 C ATOM 505 CD1 LEU A 389 -4.891 -3.207 -2.605 1.00 71.12 C ATOM 506 CD2 LEU A 389 -4.391 -5.657 -2.336 1.00 10.15 C ATOM 0 H LEU A 389 -2.197 -5.118 -5.982 1.00 40.31 H new ATOM 0 HA LEU A 389 -4.904 -5.055 -4.990 1.00 42.41 H new ATOM 0 HB2 LEU A 389 -2.420 -5.140 -3.990 1.00 61.13 H new ATOM 0 HB3 LEU A 389 -2.600 -3.402 -4.134 1.00 61.13 H new ATOM 0 HG LEU A 389 -3.089 -4.033 -1.960 1.00 13.53 H new ATOM 0 HD11 LEU A 389 -5.355 -3.234 -1.619 1.00 71.12 H new ATOM 0 HD12 LEU A 389 -4.421 -2.235 -2.758 1.00 71.12 H new ATOM 0 HD13 LEU A 389 -5.652 -3.366 -3.369 1.00 71.12 H new ATOM 0 HD21 LEU A 389 -4.889 -5.601 -1.368 1.00 10.15 H new ATOM 0 HD22 LEU A 389 -5.106 -5.977 -3.094 1.00 10.15 H new ATOM 0 HD23 LEU A 389 -3.573 -6.376 -2.282 1.00 10.15 H new ATOM 514 N GLY A 390 -3.409 -2.336 -6.092 1.00 25.23 N ATOM 515 CA GLY A 390 -3.735 -1.070 -6.650 1.00 15.33 C ATOM 516 C GLY A 390 -2.563 -0.428 -7.292 1.00 13.14 C ATOM 517 O GLY A 390 -1.420 -0.822 -7.045 1.00 31.22 O ATOM 0 H GLY A 390 -2.418 -2.499 -5.914 1.00 25.23 H new ATOM 0 HA2 GLY A 390 -4.530 -1.192 -7.386 1.00 15.33 H new ATOM 0 HA3 GLY A 390 -4.122 -0.418 -5.867 1.00 15.33 H new ATOM 521 N ASN A 391 -2.833 0.531 -8.117 1.00 74.22 N ATOM 522 CA ASN A 391 -1.817 1.321 -8.749 1.00 71.33 C ATOM 523 C ASN A 391 -1.859 2.679 -8.129 1.00 43.14 C ATOM 524 O ASN A 391 -2.921 3.146 -7.736 1.00 23.11 O ATOM 525 CB ASN A 391 -2.039 1.422 -10.262 1.00 0.25 C ATOM 526 CG ASN A 391 -1.907 0.092 -10.981 1.00 24.43 C ATOM 527 OD1 ASN A 391 -2.998 -0.614 -11.122 1.00 53.43 O flip ATOM 528 ND2 ASN A 391 -0.822 -0.291 -11.412 1.00 2.15 N flip ATOM 0 H ASN A 391 -3.783 0.795 -8.378 1.00 74.22 H new ATOM 0 HA ASN A 391 -0.844 0.853 -8.604 1.00 71.33 H new ATOM 0 HB2 ASN A 391 -3.032 1.831 -10.449 1.00 0.25 H new ATOM 0 HB3 ASN A 391 -1.320 2.126 -10.681 1.00 0.25 H new ATOM 0 HD21 ASN A 391 0.010 0.285 -11.284 1.00 2.15 H new ATOM 0 HD22 ASN A 391 -0.753 -1.185 -11.897 1.00 2.15 H new ATOM 534 N PHE A 392 -0.738 3.297 -8.018 1.00 43.05 N ATOM 535 CA PHE A 392 -0.635 4.585 -7.351 1.00 44.40 C ATOM 536 C PHE A 392 -1.403 5.667 -8.101 1.00 53.24 C ATOM 537 O PHE A 392 -1.086 5.988 -9.253 1.00 64.42 O ATOM 538 CB PHE A 392 0.838 4.949 -7.141 1.00 53.24 C ATOM 539 CG PHE A 392 1.552 4.086 -6.111 1.00 31.43 C ATOM 540 CD1 PHE A 392 1.430 2.703 -6.114 1.00 12.05 C ATOM 541 CD2 PHE A 392 2.359 4.665 -5.159 1.00 22.03 C ATOM 542 CE1 PHE A 392 2.091 1.928 -5.198 1.00 40.34 C ATOM 543 CE2 PHE A 392 3.029 3.893 -4.231 1.00 21.23 C ATOM 544 CZ PHE A 392 2.894 2.521 -4.251 1.00 54.03 C ATOM 0 H PHE A 392 0.146 2.940 -8.381 1.00 43.05 H new ATOM 0 HA PHE A 392 -1.102 4.510 -6.369 1.00 44.40 H new ATOM 0 HB2 PHE A 392 1.361 4.866 -8.094 1.00 53.24 H new ATOM 0 HB3 PHE A 392 0.903 5.992 -6.832 1.00 53.24 H new ATOM 0 HD1 PHE A 392 0.801 2.229 -6.853 1.00 12.05 H new ATOM 0 HD2 PHE A 392 2.470 5.739 -5.137 1.00 22.03 H new ATOM 0 HE1 PHE A 392 1.982 0.854 -5.219 1.00 40.34 H new ATOM 0 HE2 PHE A 392 3.658 4.363 -3.490 1.00 21.23 H new ATOM 0 HZ PHE A 392 3.416 1.914 -3.526 1.00 54.03 H new ATOM 554 N ALA A 393 -2.425 6.213 -7.452 1.00 3.11 N ATOM 555 CA ALA A 393 -3.278 7.197 -8.085 1.00 41.41 C ATOM 556 C ALA A 393 -2.824 8.605 -7.766 1.00 64.41 C ATOM 557 O ALA A 393 -2.644 9.421 -8.677 1.00 22.22 O ATOM 558 CB ALA A 393 -4.725 6.997 -7.652 1.00 42.13 C ATOM 0 H ALA A 393 -2.678 5.988 -6.490 1.00 3.11 H new ATOM 0 HA ALA A 393 -3.208 7.059 -9.164 1.00 41.41 H new ATOM 0 HB1 ALA A 393 -5.356 7.743 -8.135 1.00 42.13 H new ATOM 0 HB2 ALA A 393 -5.057 6.000 -7.941 1.00 42.13 H new ATOM 0 HB3 ALA A 393 -4.799 7.105 -6.570 1.00 42.13 H new ATOM 564 N SER A 394 -2.593 8.880 -6.495 1.00 74.31 N ATOM 565 CA SER A 394 -2.129 10.181 -6.064 1.00 23.10 C ATOM 566 C SER A 394 -1.697 10.126 -4.613 1.00 51.10 C ATOM 567 O SER A 394 -2.334 9.425 -3.794 1.00 22.50 O ATOM 568 CB SER A 394 -3.237 11.237 -6.281 1.00 14.05 C ATOM 569 OG SER A 394 -4.483 10.808 -5.722 1.00 4.40 O ATOM 0 H SER A 394 -2.722 8.209 -5.737 1.00 74.31 H new ATOM 0 HA SER A 394 -1.264 10.471 -6.661 1.00 23.10 H new ATOM 0 HB2 SER A 394 -2.937 12.180 -5.825 1.00 14.05 H new ATOM 0 HB3 SER A 394 -3.360 11.424 -7.348 1.00 14.05 H new ATOM 0 HG SER A 394 -5.164 11.497 -5.873 1.00 4.40 H new ATOM 575 N GLN A 395 -0.617 10.805 -4.285 1.00 21.32 N ATOM 576 CA GLN A 395 -0.144 10.834 -2.935 1.00 0.13 C ATOM 577 C GLN A 395 0.402 12.192 -2.563 1.00 65.14 C ATOM 578 O GLN A 395 1.053 12.867 -3.374 1.00 14.12 O ATOM 579 CB GLN A 395 0.909 9.778 -2.746 1.00 53.44 C ATOM 580 CG GLN A 395 2.082 9.909 -3.685 1.00 13.44 C ATOM 581 CD GLN A 395 3.009 8.746 -3.593 1.00 44.14 C ATOM 582 OE1 GLN A 395 3.941 8.737 -2.814 1.00 13.55 O ATOM 583 NE2 GLN A 395 2.769 7.759 -4.395 1.00 2.44 N ATOM 0 H GLN A 395 -0.055 11.343 -4.945 1.00 21.32 H new ATOM 0 HA GLN A 395 -0.988 10.630 -2.276 1.00 0.13 H new ATOM 0 HB2 GLN A 395 1.272 9.820 -1.719 1.00 53.44 H new ATOM 0 HB3 GLN A 395 0.454 8.797 -2.883 1.00 53.44 H new ATOM 0 HG2 GLN A 395 1.718 10.001 -4.708 1.00 13.44 H new ATOM 0 HG3 GLN A 395 2.627 10.825 -3.457 1.00 13.44 H new ATOM 0 HE21 GLN A 395 1.976 7.803 -5.035 1.00 2.44 H new ATOM 0 HE22 GLN A 395 3.373 6.937 -4.387 1.00 2.44 H new ATOM 591 N GLU A 396 0.123 12.603 -1.365 1.00 54.12 N ATOM 592 CA GLU A 396 0.621 13.836 -0.857 1.00 14.05 C ATOM 593 C GLU A 396 1.272 13.580 0.485 1.00 31.14 C ATOM 594 O GLU A 396 0.670 12.937 1.364 1.00 64.04 O ATOM 595 CB GLU A 396 -0.502 14.854 -0.716 1.00 51.01 C ATOM 596 CG GLU A 396 -0.028 16.221 -0.278 1.00 65.22 C ATOM 597 CD GLU A 396 -1.153 17.189 -0.088 1.00 3.03 C ATOM 598 OE1 GLU A 396 -1.676 17.719 -1.091 1.00 72.11 O ATOM 599 OE2 GLU A 396 -1.517 17.465 1.070 1.00 63.25 O ATOM 0 H GLU A 396 -0.462 12.085 -0.709 1.00 54.12 H new ATOM 0 HA GLU A 396 1.355 14.245 -1.552 1.00 14.05 H new ATOM 0 HB2 GLU A 396 -1.019 14.947 -1.671 1.00 51.01 H new ATOM 0 HB3 GLU A 396 -1.230 14.482 0.006 1.00 51.01 H new ATOM 0 HG2 GLU A 396 0.526 16.127 0.656 1.00 65.22 H new ATOM 0 HG3 GLU A 396 0.664 16.616 -1.021 1.00 65.22 H new ATOM 606 N GLY A 397 2.491 14.044 0.636 1.00 41.14 N ATOM 607 CA GLY A 397 3.197 13.886 1.884 1.00 24.03 C ATOM 608 C GLY A 397 3.565 12.447 2.161 1.00 41.42 C ATOM 609 O GLY A 397 4.525 11.925 1.595 1.00 72.54 O ATOM 0 H GLY A 397 3.013 14.534 -0.090 1.00 41.14 H new ATOM 0 HA2 GLY A 397 4.103 14.492 1.865 1.00 24.03 H new ATOM 0 HA3 GLY A 397 2.578 14.263 2.698 1.00 24.03 H new ATOM 613 N ASN A 398 2.800 11.809 3.021 1.00 13.14 N ATOM 614 CA ASN A 398 3.061 10.430 3.403 1.00 43.00 C ATOM 615 C ASN A 398 1.810 9.563 3.302 1.00 1.43 C ATOM 616 O ASN A 398 1.795 8.422 3.774 1.00 71.33 O ATOM 617 CB ASN A 398 3.605 10.340 4.835 1.00 24.50 C ATOM 618 CG ASN A 398 2.631 10.824 5.921 1.00 50.45 C ATOM 619 OD1 ASN A 398 1.859 11.770 5.730 1.00 23.51 O ATOM 620 ND2 ASN A 398 2.612 10.131 7.030 1.00 12.44 N ATOM 0 H ASN A 398 1.986 12.224 3.474 1.00 13.14 H new ATOM 0 HA ASN A 398 3.809 10.058 2.703 1.00 43.00 H new ATOM 0 HB2 ASN A 398 3.875 9.305 5.043 1.00 24.50 H new ATOM 0 HB3 ASN A 398 4.521 10.927 4.899 1.00 24.50 H new ATOM 0 HD21 ASN A 398 1.947 10.366 7.767 1.00 12.44 H new ATOM 0 HD22 ASN A 398 3.262 9.355 7.158 1.00 12.44 H new ATOM 626 N VAL A 399 0.774 10.071 2.684 1.00 34.22 N ATOM 627 CA VAL A 399 -0.455 9.307 2.568 1.00 72.43 C ATOM 628 C VAL A 399 -0.640 8.944 1.118 1.00 74.43 C ATOM 629 O VAL A 399 -0.782 9.824 0.261 1.00 34.45 O ATOM 630 CB VAL A 399 -1.688 10.095 3.078 1.00 73.33 C ATOM 631 CG1 VAL A 399 -2.928 9.223 3.048 1.00 61.20 C ATOM 632 CG2 VAL A 399 -1.449 10.643 4.480 1.00 61.23 C ATOM 0 H VAL A 399 0.750 10.997 2.257 1.00 34.22 H new ATOM 0 HA VAL A 399 -0.374 8.415 3.190 1.00 72.43 H new ATOM 0 HB VAL A 399 -1.846 10.942 2.410 1.00 73.33 H new ATOM 0 HG11 VAL A 399 -3.783 9.794 3.410 1.00 61.20 H new ATOM 0 HG12 VAL A 399 -3.117 8.894 2.026 1.00 61.20 H new ATOM 0 HG13 VAL A 399 -2.776 8.353 3.687 1.00 61.20 H new ATOM 0 HG21 VAL A 399 -2.331 11.191 4.812 1.00 61.23 H new ATOM 0 HG22 VAL A 399 -1.256 9.818 5.165 1.00 61.23 H new ATOM 0 HG23 VAL A 399 -0.589 11.313 4.467 1.00 61.23 H new ATOM 638 N LEU A 400 -0.628 7.678 0.838 1.00 31.34 N ATOM 639 CA LEU A 400 -0.630 7.212 -0.521 1.00 44.44 C ATOM 640 C LEU A 400 -1.912 6.471 -0.798 1.00 65.13 C ATOM 641 O LEU A 400 -2.320 5.614 -0.025 1.00 34.13 O ATOM 642 CB LEU A 400 0.574 6.277 -0.756 1.00 1.44 C ATOM 643 CG LEU A 400 1.942 6.626 -0.076 1.00 2.11 C ATOM 644 CD1 LEU A 400 3.039 5.701 -0.556 1.00 43.13 C ATOM 645 CD2 LEU A 400 2.360 8.070 -0.254 1.00 12.34 C ATOM 0 H LEU A 400 -0.617 6.938 1.540 1.00 31.34 H new ATOM 0 HA LEU A 400 -0.554 8.066 -1.194 1.00 44.44 H new ATOM 0 HB2 LEU A 400 0.286 5.279 -0.426 1.00 1.44 H new ATOM 0 HB3 LEU A 400 0.744 6.221 -1.831 1.00 1.44 H new ATOM 0 HG LEU A 400 1.784 6.479 0.992 1.00 2.11 H new ATOM 0 HD11 LEU A 400 3.977 5.965 -0.068 1.00 43.13 H new ATOM 0 HD12 LEU A 400 2.780 4.671 -0.310 1.00 43.13 H new ATOM 0 HD13 LEU A 400 3.151 5.799 -1.636 1.00 43.13 H new ATOM 0 HD21 LEU A 400 3.316 8.236 0.243 1.00 12.34 H new ATOM 0 HD22 LEU A 400 2.461 8.291 -1.317 1.00 12.34 H new ATOM 0 HD23 LEU A 400 1.605 8.724 0.183 1.00 12.34 H new ATOM 653 N LYS A 401 -2.555 6.800 -1.888 1.00 1.14 N ATOM 654 CA LYS A 401 -3.766 6.133 -2.233 1.00 40.43 C ATOM 655 C LYS A 401 -3.544 5.382 -3.552 1.00 53.11 C ATOM 656 O LYS A 401 -3.133 5.979 -4.564 1.00 42.14 O ATOM 657 CB LYS A 401 -4.917 7.138 -2.392 1.00 64.30 C ATOM 658 CG LYS A 401 -6.273 6.618 -1.883 1.00 34.14 C ATOM 659 CD LYS A 401 -6.572 5.250 -2.444 1.00 20.02 C ATOM 660 CE LYS A 401 -7.913 4.675 -1.978 1.00 45.22 C ATOM 661 NZ LYS A 401 -9.092 5.490 -2.386 1.00 35.40 N ATOM 0 H LYS A 401 -2.256 7.522 -2.543 1.00 1.14 H new ATOM 0 HA LYS A 401 -4.036 5.437 -1.439 1.00 40.43 H new ATOM 0 HB2 LYS A 401 -4.665 8.052 -1.855 1.00 64.30 H new ATOM 0 HB3 LYS A 401 -5.012 7.403 -3.445 1.00 64.30 H new ATOM 0 HG2 LYS A 401 -6.264 6.574 -0.794 1.00 34.14 H new ATOM 0 HG3 LYS A 401 -7.063 7.313 -2.168 1.00 34.14 H new ATOM 0 HD2 LYS A 401 -6.568 5.304 -3.533 1.00 20.02 H new ATOM 0 HD3 LYS A 401 -5.773 4.566 -2.156 1.00 20.02 H new ATOM 0 HE2 LYS A 401 -8.024 3.667 -2.378 1.00 45.22 H new ATOM 0 HE3 LYS A 401 -7.902 4.587 -0.892 1.00 45.22 H new ATOM 0 HZ1 LYS A 401 -9.958 5.069 -1.993 1.00 35.40 H new ATOM 0 HZ2 LYS A 401 -8.985 6.460 -2.026 1.00 35.40 H new ATOM 0 HZ3 LYS A 401 -9.157 5.511 -3.424 1.00 35.40 H new ATOM 675 N TYR A 402 -3.796 4.096 -3.540 1.00 51.04 N ATOM 676 CA TYR A 402 -3.623 3.277 -4.720 1.00 14.04 C ATOM 677 C TYR A 402 -4.988 2.786 -5.135 1.00 1.53 C ATOM 678 O TYR A 402 -5.766 2.379 -4.277 1.00 53.35 O ATOM 679 CB TYR A 402 -2.759 2.059 -4.396 1.00 51.31 C ATOM 680 CG TYR A 402 -1.683 2.321 -3.386 1.00 52.51 C ATOM 681 CD1 TYR A 402 -0.730 3.279 -3.594 1.00 13.13 C ATOM 682 CD2 TYR A 402 -1.639 1.605 -2.205 1.00 32.30 C ATOM 683 CE1 TYR A 402 0.241 3.517 -2.665 1.00 21.11 C ATOM 684 CE2 TYR A 402 -0.662 1.840 -1.273 1.00 34.22 C ATOM 685 CZ TYR A 402 0.273 2.796 -1.513 1.00 33.04 C ATOM 686 OH TYR A 402 1.261 3.027 -0.599 1.00 30.15 O ATOM 0 H TYR A 402 -4.125 3.588 -2.719 1.00 51.04 H new ATOM 0 HA TYR A 402 -3.143 3.859 -5.507 1.00 14.04 H new ATOM 0 HB2 TYR A 402 -3.401 1.259 -4.027 1.00 51.31 H new ATOM 0 HB3 TYR A 402 -2.299 1.699 -5.316 1.00 51.31 H new ATOM 0 HD1 TYR A 402 -0.746 3.856 -4.507 1.00 13.13 H new ATOM 0 HD2 TYR A 402 -2.386 0.849 -2.013 1.00 32.30 H new ATOM 0 HE1 TYR A 402 0.985 4.279 -2.845 1.00 21.11 H new ATOM 0 HE2 TYR A 402 -0.636 1.270 -0.356 1.00 34.22 H new ATOM 0 HH TYR A 402 2.117 2.708 -0.955 1.00 30.15 H new ATOM 696 N GLU A 403 -5.287 2.827 -6.417 1.00 0.12 N ATOM 697 CA GLU A 403 -6.587 2.398 -6.929 1.00 25.43 C ATOM 698 C GLU A 403 -6.406 1.726 -8.278 1.00 61.00 C ATOM 699 O GLU A 403 -5.280 1.641 -8.774 1.00 22.33 O ATOM 700 CB GLU A 403 -7.561 3.576 -7.075 1.00 30.30 C ATOM 701 CG GLU A 403 -7.750 4.403 -5.817 1.00 41.11 C ATOM 702 CD GLU A 403 -8.826 5.423 -5.953 1.00 14.41 C ATOM 703 OE1 GLU A 403 -8.881 6.105 -6.987 1.00 44.52 O ATOM 704 OE2 GLU A 403 -9.672 5.525 -5.039 1.00 32.31 O ATOM 0 H GLU A 403 -4.644 3.156 -7.137 1.00 0.12 H new ATOM 0 HA GLU A 403 -7.012 1.697 -6.210 1.00 25.43 H new ATOM 0 HB2 GLU A 403 -7.204 4.228 -7.872 1.00 30.30 H new ATOM 0 HB3 GLU A 403 -8.531 3.191 -7.389 1.00 30.30 H new ATOM 0 HG2 GLU A 403 -7.987 3.741 -4.984 1.00 41.11 H new ATOM 0 HG3 GLU A 403 -6.812 4.901 -5.571 1.00 41.11 H new ATOM 711 N ASN A 404 -7.502 1.207 -8.850 1.00 0.11 N ATOM 712 CA ASN A 404 -7.468 0.583 -10.192 1.00 2.24 C ATOM 713 C ASN A 404 -6.588 -0.636 -10.247 1.00 0.15 C ATOM 714 O ASN A 404 -5.942 -0.896 -11.264 1.00 54.34 O ATOM 715 CB ASN A 404 -7.057 1.582 -11.294 1.00 63.41 C ATOM 716 CG ASN A 404 -8.168 2.514 -11.749 1.00 42.44 C ATOM 717 OD1 ASN A 404 -9.127 2.783 -10.910 1.00 31.32 O flip ATOM 718 ND2 ASN A 404 -8.168 2.959 -12.890 1.00 54.43 N flip ATOM 0 H ASN A 404 -8.423 1.204 -8.411 1.00 0.11 H new ATOM 0 HA ASN A 404 -8.492 0.263 -10.385 1.00 2.24 H new ATOM 0 HB2 ASN A 404 -6.223 2.182 -10.929 1.00 63.41 H new ATOM 0 HB3 ASN A 404 -6.694 1.023 -12.156 1.00 63.41 H new ATOM 0 HD21 ASN A 404 -7.404 2.732 -13.526 1.00 54.43 H new ATOM 0 HD22 ASN A 404 -8.932 3.557 -13.204 1.00 54.43 H new ATOM 724 N GLY A 405 -6.580 -1.398 -9.176 1.00 50.40 N ATOM 725 CA GLY A 405 -5.849 -2.634 -9.173 1.00 15.13 C ATOM 726 C GLY A 405 -6.632 -3.737 -9.858 1.00 14.15 C ATOM 727 O GLY A 405 -7.338 -3.493 -10.846 1.00 64.21 O ATOM 0 H GLY A 405 -7.068 -1.182 -8.307 1.00 50.40 H new ATOM 0 HA2 GLY A 405 -4.893 -2.495 -9.678 1.00 15.13 H new ATOM 0 HA3 GLY A 405 -5.627 -2.926 -8.146 1.00 15.13 H new ATOM 731 N GLN A 406 -6.553 -4.922 -9.327 1.00 31.31 N ATOM 732 CA GLN A 406 -7.218 -6.053 -9.921 1.00 74.20 C ATOM 733 C GLN A 406 -8.720 -5.963 -9.627 1.00 23.33 C ATOM 734 O GLN A 406 -9.119 -5.611 -8.506 1.00 52.00 O ATOM 735 CB GLN A 406 -6.517 -7.372 -9.461 1.00 13.02 C ATOM 736 CG GLN A 406 -7.048 -8.695 -10.009 1.00 13.13 C ATOM 737 CD GLN A 406 -8.286 -9.196 -9.320 1.00 12.42 C ATOM 738 OE1 GLN A 406 -8.394 -8.932 -8.040 1.00 63.42 O flip ATOM 739 NE2 GLN A 406 -9.117 -9.857 -9.930 1.00 23.22 N flip ATOM 0 H GLN A 406 -6.031 -5.135 -8.477 1.00 31.31 H new ATOM 0 HA GLN A 406 -7.134 -6.053 -11.008 1.00 74.20 H new ATOM 0 HB2 GLN A 406 -5.462 -7.300 -9.727 1.00 13.02 H new ATOM 0 HB3 GLN A 406 -6.569 -7.416 -8.373 1.00 13.02 H new ATOM 0 HG2 GLN A 406 -7.260 -8.576 -11.071 1.00 13.13 H new ATOM 0 HG3 GLN A 406 -6.267 -9.450 -9.923 1.00 13.13 H new ATOM 0 HE21 GLN A 406 -8.993 -10.038 -10.926 1.00 23.22 H new ATOM 0 HE22 GLN A 406 -9.933 -10.226 -9.442 1.00 23.22 H new ATOM 747 N SER A 407 -9.527 -6.203 -10.648 1.00 71.51 N ATOM 748 CA SER A 407 -10.971 -6.061 -10.577 1.00 74.10 C ATOM 749 C SER A 407 -11.620 -6.973 -9.532 1.00 72.10 C ATOM 750 O SER A 407 -11.302 -8.154 -9.420 1.00 2.33 O ATOM 751 CB SER A 407 -11.578 -6.300 -11.956 1.00 41.21 C ATOM 752 OG SER A 407 -11.010 -5.408 -12.913 1.00 60.32 O ATOM 0 H SER A 407 -9.192 -6.506 -11.562 1.00 71.51 H new ATOM 0 HA SER A 407 -11.178 -5.041 -10.253 1.00 74.10 H new ATOM 0 HB2 SER A 407 -11.404 -7.331 -12.263 1.00 41.21 H new ATOM 0 HB3 SER A 407 -12.658 -6.158 -11.914 1.00 41.21 H new ATOM 0 HG SER A 407 -10.582 -4.659 -12.448 1.00 60.32 H new ATOM 758 N CYS A 408 -12.509 -6.400 -8.771 1.00 50.40 N ATOM 759 CA CYS A 408 -13.240 -7.104 -7.753 1.00 41.13 C ATOM 760 C CYS A 408 -14.697 -7.235 -8.174 1.00 41.15 C ATOM 761 O CYS A 408 -15.152 -6.511 -9.050 1.00 30.31 O ATOM 762 CB CYS A 408 -13.079 -6.404 -6.395 1.00 62.03 C ATOM 763 SG CYS A 408 -13.452 -4.621 -6.415 1.00 72.13 S ATOM 0 H CYS A 408 -12.751 -5.412 -8.841 1.00 50.40 H new ATOM 0 HA CYS A 408 -12.838 -8.110 -7.635 1.00 41.13 H new ATOM 0 HB2 CYS A 408 -13.731 -6.891 -5.670 1.00 62.03 H new ATOM 0 HB3 CYS A 408 -12.056 -6.544 -6.047 1.00 62.03 H new ATOM 768 N TRP A 409 -15.413 -8.180 -7.603 1.00 53.13 N ATOM 769 CA TRP A 409 -16.797 -8.425 -7.988 1.00 62.34 C ATOM 770 C TRP A 409 -17.710 -7.385 -7.334 1.00 4.41 C ATOM 771 O TRP A 409 -18.741 -7.011 -7.872 1.00 12.41 O ATOM 772 CB TRP A 409 -17.231 -9.862 -7.550 1.00 61.13 C ATOM 773 CG TRP A 409 -17.658 -9.973 -6.125 1.00 43.53 C ATOM 774 CD1 TRP A 409 -16.895 -10.234 -5.048 1.00 70.34 C ATOM 775 CD2 TRP A 409 -18.986 -9.801 -5.652 1.00 2.21 C ATOM 776 NE1 TRP A 409 -17.670 -10.219 -3.911 1.00 52.55 N ATOM 777 CE2 TRP A 409 -18.967 -9.957 -4.269 1.00 32.55 C ATOM 778 CE3 TRP A 409 -20.185 -9.518 -6.292 1.00 74.21 C ATOM 779 CZ2 TRP A 409 -20.110 -9.837 -3.496 1.00 73.14 C ATOM 780 CZ3 TRP A 409 -21.329 -9.403 -5.534 1.00 25.13 C ATOM 781 CH2 TRP A 409 -21.286 -9.562 -4.145 1.00 43.13 C ATOM 0 H TRP A 409 -15.064 -8.795 -6.868 1.00 53.13 H new ATOM 0 HA TRP A 409 -16.881 -8.345 -9.072 1.00 62.34 H new ATOM 0 HB2 TRP A 409 -18.051 -10.190 -8.188 1.00 61.13 H new ATOM 0 HB3 TRP A 409 -16.400 -10.547 -7.721 1.00 61.13 H new ATOM 0 HD1 TRP A 409 -15.833 -10.427 -5.072 1.00 70.34 H new ATOM 0 HE1 TRP A 409 -17.335 -10.377 -2.960 1.00 52.55 H new ATOM 0 HE3 TRP A 409 -20.220 -9.390 -7.364 1.00 74.21 H new ATOM 0 HZ2 TRP A 409 -20.076 -9.956 -2.423 1.00 73.14 H new ATOM 0 HZ3 TRP A 409 -22.270 -9.188 -6.018 1.00 25.13 H new ATOM 0 HH2 TRP A 409 -22.197 -9.466 -3.573 1.00 43.13 H new ATOM 792 N ASN A 410 -17.292 -6.924 -6.175 1.00 23.44 N ATOM 793 CA ASN A 410 -18.077 -6.063 -5.317 1.00 53.25 C ATOM 794 C ASN A 410 -17.701 -4.595 -5.459 1.00 5.11 C ATOM 795 O ASN A 410 -18.180 -3.746 -4.711 1.00 32.24 O ATOM 796 CB ASN A 410 -17.966 -6.544 -3.844 1.00 25.41 C ATOM 797 CG ASN A 410 -16.529 -6.686 -3.316 1.00 0.43 C ATOM 798 OD1 ASN A 410 -15.580 -6.937 -4.071 1.00 73.35 O ATOM 799 ND2 ASN A 410 -16.373 -6.595 -2.029 1.00 44.12 N ATOM 0 H ASN A 410 -16.372 -7.144 -5.793 1.00 23.44 H new ATOM 0 HA ASN A 410 -19.118 -6.135 -5.634 1.00 53.25 H new ATOM 0 HB2 ASN A 410 -18.504 -5.843 -3.206 1.00 25.41 H new ATOM 0 HB3 ASN A 410 -18.468 -7.507 -3.753 1.00 25.41 H new ATOM 0 HD21 ASN A 410 -15.450 -6.732 -1.616 1.00 44.12 H new ATOM 0 HD22 ASN A 410 -17.173 -6.387 -1.432 1.00 44.12 H new ATOM 805 N GLY A 411 -16.881 -4.303 -6.435 1.00 45.12 N ATOM 806 CA GLY A 411 -16.452 -2.951 -6.710 1.00 22.45 C ATOM 807 C GLY A 411 -15.870 -2.892 -8.095 1.00 30.13 C ATOM 808 O GLY A 411 -15.969 -3.877 -8.817 1.00 14.43 O ATOM 0 H GLY A 411 -16.488 -5.000 -7.068 1.00 45.12 H new ATOM 0 HA2 GLY A 411 -17.295 -2.265 -6.627 1.00 22.45 H new ATOM 0 HA3 GLY A 411 -15.710 -2.635 -5.977 1.00 22.45 H new ATOM 812 N PRO A 412 -15.261 -1.781 -8.518 1.00 52.21 N ATOM 813 CA PRO A 412 -14.684 -1.700 -9.848 1.00 4.41 C ATOM 814 C PRO A 412 -13.263 -2.303 -9.926 1.00 53.42 C ATOM 815 O PRO A 412 -12.919 -2.988 -10.884 1.00 10.10 O ATOM 816 CB PRO A 412 -14.659 -0.197 -10.131 1.00 35.00 C ATOM 817 CG PRO A 412 -14.581 0.466 -8.783 1.00 2.03 C ATOM 818 CD PRO A 412 -15.119 -0.522 -7.760 1.00 22.01 C ATOM 0 HA PRO A 412 -15.259 -2.273 -10.575 1.00 4.41 H new ATOM 0 HB2 PRO A 412 -13.803 0.071 -10.750 1.00 35.00 H new ATOM 0 HB3 PRO A 412 -15.553 0.115 -10.671 1.00 35.00 H new ATOM 0 HG2 PRO A 412 -13.552 0.740 -8.549 1.00 2.03 H new ATOM 0 HG3 PRO A 412 -15.166 1.386 -8.773 1.00 2.03 H new ATOM 0 HD2 PRO A 412 -14.435 -0.638 -6.919 1.00 22.01 H new ATOM 0 HD3 PRO A 412 -16.074 -0.193 -7.351 1.00 22.01 H new ATOM 826 N HIS A 413 -12.460 -2.064 -8.899 1.00 44.32 N ATOM 827 CA HIS A 413 -11.086 -2.560 -8.806 1.00 55.15 C ATOM 828 C HIS A 413 -10.667 -2.478 -7.375 1.00 62.24 C ATOM 829 O HIS A 413 -11.300 -1.769 -6.593 1.00 5.43 O ATOM 830 CB HIS A 413 -10.065 -1.707 -9.615 1.00 41.34 C ATOM 831 CG HIS A 413 -10.244 -1.640 -11.104 1.00 71.14 C ATOM 832 ND1 HIS A 413 -9.965 -2.685 -11.951 1.00 40.33 N ATOM 833 CD2 HIS A 413 -10.670 -0.631 -11.892 1.00 23.21 C ATOM 834 CE1 HIS A 413 -10.215 -2.326 -13.185 1.00 43.41 C ATOM 835 NE2 HIS A 413 -10.644 -1.084 -13.181 1.00 44.43 N ATOM 0 H HIS A 413 -12.746 -1.511 -8.091 1.00 44.32 H new ATOM 0 HA HIS A 413 -11.083 -3.573 -9.209 1.00 55.15 H new ATOM 0 HB2 HIS A 413 -10.095 -0.689 -9.226 1.00 41.34 H new ATOM 0 HB3 HIS A 413 -9.067 -2.096 -9.413 1.00 41.34 H new ATOM 0 HD2 HIS A 413 -10.975 0.352 -11.565 1.00 23.21 H new ATOM 0 HE1 HIS A 413 -10.090 -2.947 -14.060 1.00 43.41 H new ATOM 0 HE2 HIS A 413 -10.913 -0.546 -14.005 1.00 44.43 H new ATOM 844 N ARG A 414 -9.624 -3.192 -7.020 1.00 23.33 N ATOM 845 CA ARG A 414 -9.058 -3.054 -5.708 1.00 14.34 C ATOM 846 C ARG A 414 -8.305 -1.760 -5.563 1.00 14.34 C ATOM 847 O ARG A 414 -7.891 -1.128 -6.567 1.00 73.12 O ATOM 848 CB ARG A 414 -8.197 -4.234 -5.300 1.00 11.15 C ATOM 849 CG ARG A 414 -8.976 -5.468 -4.930 1.00 75.14 C ATOM 850 CD ARG A 414 -8.052 -6.622 -4.623 1.00 54.33 C ATOM 851 NE ARG A 414 -8.784 -7.850 -4.301 1.00 10.14 N ATOM 852 CZ ARG A 414 -8.257 -8.908 -3.670 1.00 74.33 C ATOM 853 NH1 ARG A 414 -6.991 -8.880 -3.263 1.00 73.55 N ATOM 854 NH2 ARG A 414 -8.996 -9.985 -3.441 1.00 21.35 N ATOM 0 H ARG A 414 -9.156 -3.870 -7.621 1.00 23.33 H new ATOM 0 HA ARG A 414 -9.903 -3.037 -5.020 1.00 14.34 H new ATOM 0 HB2 ARG A 414 -7.521 -4.477 -6.120 1.00 11.15 H new ATOM 0 HB3 ARG A 414 -7.577 -3.941 -4.452 1.00 11.15 H new ATOM 0 HG2 ARG A 414 -9.603 -5.260 -4.063 1.00 75.14 H new ATOM 0 HG3 ARG A 414 -9.643 -5.740 -5.748 1.00 75.14 H new ATOM 0 HD2 ARG A 414 -7.403 -6.803 -5.480 1.00 54.33 H new ATOM 0 HD3 ARG A 414 -7.407 -6.356 -3.785 1.00 54.33 H new ATOM 0 HE ARG A 414 -9.765 -7.903 -4.577 1.00 10.14 H new ATOM 0 HH11 ARG A 414 -6.419 -8.052 -3.431 1.00 73.55 H new ATOM 0 HH12 ARG A 414 -6.592 -9.686 -2.783 1.00 73.55 H new ATOM 0 HH21 ARG A 414 -9.969 -10.010 -3.746 1.00 21.35 H new ATOM 0 HH22 ARG A 414 -8.591 -10.788 -2.960 1.00 21.35 H new ATOM 866 N SER A 415 -8.137 -1.370 -4.337 1.00 70.00 N ATOM 867 CA SER A 415 -7.508 -0.164 -3.982 1.00 4.22 C ATOM 868 C SER A 415 -7.089 -0.231 -2.511 1.00 5.20 C ATOM 869 O SER A 415 -7.575 -1.087 -1.766 1.00 74.33 O ATOM 870 CB SER A 415 -8.498 0.977 -4.218 1.00 60.14 C ATOM 871 OG SER A 415 -9.725 0.705 -3.558 1.00 72.11 O ATOM 0 H SER A 415 -8.452 -1.915 -3.534 1.00 70.00 H new ATOM 0 HA SER A 415 -6.615 0.005 -4.584 1.00 4.22 H new ATOM 0 HB2 SER A 415 -8.079 1.914 -3.851 1.00 60.14 H new ATOM 0 HB3 SER A 415 -8.671 1.103 -5.287 1.00 60.14 H new ATOM 0 HG SER A 415 -9.797 -0.257 -3.384 1.00 72.11 H new ATOM 877 N ALA A 416 -6.211 0.649 -2.101 1.00 21.34 N ATOM 878 CA ALA A 416 -5.750 0.696 -0.735 1.00 34.43 C ATOM 879 C ALA A 416 -5.181 2.047 -0.438 1.00 25.01 C ATOM 880 O ALA A 416 -4.603 2.690 -1.310 1.00 22.32 O ATOM 881 CB ALA A 416 -4.694 -0.374 -0.477 1.00 5.01 C ATOM 0 H ALA A 416 -5.794 1.356 -2.707 1.00 21.34 H new ATOM 0 HA ALA A 416 -6.601 0.505 -0.081 1.00 34.43 H new ATOM 0 HB1 ALA A 416 -4.364 -0.316 0.560 1.00 5.01 H new ATOM 0 HB2 ALA A 416 -5.120 -1.359 -0.668 1.00 5.01 H new ATOM 0 HB3 ALA A 416 -3.843 -0.212 -1.138 1.00 5.01 H new ATOM 887 N ILE A 417 -5.378 2.492 0.754 1.00 4.02 N ATOM 888 CA ILE A 417 -4.787 3.713 1.199 1.00 4.15 C ATOM 889 C ILE A 417 -3.707 3.372 2.220 1.00 3.50 C ATOM 890 O ILE A 417 -3.947 2.641 3.187 1.00 72.45 O ATOM 891 CB ILE A 417 -5.832 4.743 1.786 1.00 53.33 C ATOM 892 CG1 ILE A 417 -5.152 6.098 2.055 1.00 63.14 C ATOM 893 CG2 ILE A 417 -6.485 4.226 3.073 1.00 44.23 C ATOM 894 CD1 ILE A 417 -6.092 7.174 2.581 1.00 43.40 C ATOM 0 H ILE A 417 -5.954 2.021 1.452 1.00 4.02 H new ATOM 0 HA ILE A 417 -4.353 4.218 0.336 1.00 4.15 H new ATOM 0 HB ILE A 417 -6.617 4.869 1.040 1.00 53.33 H new ATOM 0 HG12 ILE A 417 -4.347 5.951 2.775 1.00 63.14 H new ATOM 0 HG13 ILE A 417 -4.694 6.452 1.131 1.00 63.14 H new ATOM 0 HG21 ILE A 417 -7.196 4.965 3.442 1.00 44.23 H new ATOM 0 HG22 ILE A 417 -7.007 3.292 2.866 1.00 44.23 H new ATOM 0 HG23 ILE A 417 -5.717 4.053 3.827 1.00 44.23 H new ATOM 0 HD11 ILE A 417 -5.534 8.096 2.744 1.00 43.40 H new ATOM 0 HD12 ILE A 417 -6.884 7.353 1.854 1.00 43.40 H new ATOM 0 HD13 ILE A 417 -6.532 6.845 3.522 1.00 43.40 H new ATOM 901 N VAL A 418 -2.539 3.836 1.974 1.00 33.12 N ATOM 902 CA VAL A 418 -1.428 3.605 2.834 1.00 1.41 C ATOM 903 C VAL A 418 -1.008 4.869 3.514 1.00 73.23 C ATOM 904 O VAL A 418 -0.871 5.914 2.884 1.00 4.43 O ATOM 905 CB VAL A 418 -0.235 2.950 2.083 1.00 60.33 C ATOM 906 CG1 VAL A 418 1.062 3.207 2.790 1.00 44.21 C ATOM 907 CG2 VAL A 418 -0.433 1.458 2.005 1.00 3.34 C ATOM 0 H VAL A 418 -2.318 4.400 1.153 1.00 33.12 H new ATOM 0 HA VAL A 418 -1.752 2.898 3.597 1.00 1.41 H new ATOM 0 HB VAL A 418 -0.198 3.389 1.086 1.00 60.33 H new ATOM 0 HG11 VAL A 418 1.876 2.736 2.239 1.00 44.21 H new ATOM 0 HG12 VAL A 418 1.238 4.281 2.849 1.00 44.21 H new ATOM 0 HG13 VAL A 418 1.016 2.791 3.797 1.00 44.21 H new ATOM 0 HG21 VAL A 418 0.407 1.007 1.477 1.00 3.34 H new ATOM 0 HG22 VAL A 418 -0.493 1.046 3.012 1.00 3.34 H new ATOM 0 HG23 VAL A 418 -1.357 1.241 1.469 1.00 3.34 H new ATOM 913 N THR A 419 -0.840 4.791 4.791 1.00 1.21 N ATOM 914 CA THR A 419 -0.359 5.906 5.525 1.00 35.20 C ATOM 915 C THR A 419 1.043 5.533 5.987 1.00 75.00 C ATOM 916 O THR A 419 1.207 4.596 6.772 1.00 44.02 O ATOM 917 CB THR A 419 -1.254 6.141 6.734 1.00 52.21 C ATOM 918 OG1 THR A 419 -2.525 5.500 6.468 1.00 4.24 O ATOM 919 CG2 THR A 419 -1.533 7.619 6.870 1.00 41.42 C ATOM 0 H THR A 419 -1.031 3.959 5.349 1.00 1.21 H new ATOM 0 HA THR A 419 -0.353 6.815 4.923 1.00 35.20 H new ATOM 0 HB THR A 419 -0.774 5.755 7.633 1.00 52.21 H new ATOM 0 HG1 THR A 419 -3.124 5.633 7.232 1.00 4.24 H new ATOM 0 HG21 THR A 419 -2.174 7.790 7.735 1.00 41.42 H new ATOM 0 HG22 THR A 419 -0.594 8.156 7.002 1.00 41.42 H new ATOM 0 HG23 THR A 419 -2.033 7.979 5.971 1.00 41.42 H new ATOM 925 N VAL A 420 2.037 6.213 5.490 1.00 55.44 N ATOM 926 CA VAL A 420 3.408 5.865 5.808 1.00 33.14 C ATOM 927 C VAL A 420 3.930 6.811 6.858 1.00 32.13 C ATOM 928 O VAL A 420 4.087 7.973 6.602 1.00 51.41 O ATOM 929 CB VAL A 420 4.329 5.976 4.559 1.00 25.33 C ATOM 930 CG1 VAL A 420 5.712 5.447 4.857 1.00 42.41 C ATOM 931 CG2 VAL A 420 3.736 5.272 3.356 1.00 2.33 C ATOM 0 H VAL A 420 1.932 7.011 4.864 1.00 55.44 H new ATOM 0 HA VAL A 420 3.416 4.835 6.165 1.00 33.14 H new ATOM 0 HB VAL A 420 4.410 7.035 4.313 1.00 25.33 H new ATOM 0 HG11 VAL A 420 6.335 5.536 3.967 1.00 42.41 H new ATOM 0 HG12 VAL A 420 6.155 6.023 5.669 1.00 42.41 H new ATOM 0 HG13 VAL A 420 5.645 4.399 5.150 1.00 42.41 H new ATOM 0 HG21 VAL A 420 4.411 5.374 2.506 1.00 2.33 H new ATOM 0 HG22 VAL A 420 3.597 4.215 3.585 1.00 2.33 H new ATOM 0 HG23 VAL A 420 2.773 5.720 3.111 1.00 2.33 H new ATOM 937 N GLU A 421 4.185 6.329 8.030 1.00 71.12 N ATOM 938 CA GLU A 421 4.673 7.202 9.074 1.00 13.01 C ATOM 939 C GLU A 421 6.125 6.905 9.395 1.00 2.21 C ATOM 940 O GLU A 421 6.751 6.072 8.748 1.00 0.42 O ATOM 941 CB GLU A 421 3.833 7.080 10.319 1.00 75.54 C ATOM 942 CG GLU A 421 2.370 7.382 10.117 1.00 14.01 C ATOM 943 CD GLU A 421 1.623 7.242 11.395 1.00 13.24 C ATOM 944 OE1 GLU A 421 1.462 6.111 11.853 1.00 54.53 O ATOM 945 OE2 GLU A 421 1.224 8.265 11.986 1.00 35.23 O ATOM 0 H GLU A 421 4.069 5.351 8.297 1.00 71.12 H new ATOM 0 HA GLU A 421 4.600 8.226 8.707 1.00 13.01 H new ATOM 0 HB2 GLU A 421 3.931 6.068 10.711 1.00 75.54 H new ATOM 0 HB3 GLU A 421 4.229 7.755 11.077 1.00 75.54 H new ATOM 0 HG2 GLU A 421 2.253 8.394 9.730 1.00 14.01 H new ATOM 0 HG3 GLU A 421 1.954 6.705 9.371 1.00 14.01 H new ATOM 952 N CYS A 422 6.642 7.592 10.384 1.00 35.44 N ATOM 953 CA CYS A 422 8.006 7.444 10.831 1.00 72.43 C ATOM 954 C CYS A 422 8.276 6.033 11.308 1.00 21.52 C ATOM 955 O CYS A 422 7.545 5.491 12.146 1.00 4.42 O ATOM 956 CB CYS A 422 8.274 8.436 11.969 1.00 34.41 C ATOM 957 SG CYS A 422 9.911 8.265 12.810 1.00 54.34 S ATOM 0 H CYS A 422 6.114 8.286 10.913 1.00 35.44 H new ATOM 0 HA CYS A 422 8.671 7.649 9.992 1.00 72.43 H new ATOM 0 HB2 CYS A 422 8.194 9.448 11.571 1.00 34.41 H new ATOM 0 HB3 CYS A 422 7.488 8.325 12.716 1.00 34.41 H new ATOM 962 N GLY A 423 9.313 5.455 10.781 1.00 2.22 N ATOM 963 CA GLY A 423 9.714 4.143 11.179 1.00 1.31 C ATOM 964 C GLY A 423 11.183 3.985 11.011 1.00 74.14 C ATOM 965 O GLY A 423 11.853 4.917 10.558 1.00 44.40 O ATOM 0 H GLY A 423 9.902 5.880 10.065 1.00 2.22 H new ATOM 0 HA2 GLY A 423 9.438 3.970 12.219 1.00 1.31 H new ATOM 0 HA3 GLY A 423 9.189 3.397 10.582 1.00 1.31 H new ATOM 969 N VAL A 424 11.694 2.840 11.357 1.00 23.41 N ATOM 970 CA VAL A 424 13.114 2.572 11.226 1.00 31.51 C ATOM 971 C VAL A 424 13.351 1.894 9.881 1.00 62.31 C ATOM 972 O VAL A 424 14.422 2.009 9.268 1.00 22.11 O ATOM 973 CB VAL A 424 13.608 1.635 12.367 1.00 60.40 C ATOM 974 CG1 VAL A 424 15.118 1.433 12.309 1.00 22.00 C ATOM 975 CG2 VAL A 424 13.187 2.168 13.727 1.00 21.53 C ATOM 0 H VAL A 424 11.151 2.064 11.736 1.00 23.41 H new ATOM 0 HA VAL A 424 13.665 3.510 11.290 1.00 31.51 H new ATOM 0 HB VAL A 424 13.138 0.663 12.220 1.00 60.40 H new ATOM 0 HG11 VAL A 424 15.428 0.774 13.120 1.00 22.00 H new ATOM 0 HG12 VAL A 424 15.389 0.985 11.353 1.00 22.00 H new ATOM 0 HG13 VAL A 424 15.618 2.396 12.413 1.00 22.00 H new ATOM 0 HG21 VAL A 424 13.544 1.496 14.508 1.00 21.53 H new ATOM 0 HG22 VAL A 424 13.615 3.159 13.878 1.00 21.53 H new ATOM 0 HG23 VAL A 424 12.100 2.232 13.772 1.00 21.53 H new ATOM 981 N GLU A 425 12.334 1.220 9.419 1.00 1.23 N ATOM 982 CA GLU A 425 12.384 0.479 8.201 1.00 45.33 C ATOM 983 C GLU A 425 11.064 0.624 7.472 1.00 33.12 C ATOM 984 O GLU A 425 10.048 0.962 8.087 1.00 13.54 O ATOM 985 CB GLU A 425 12.637 -0.993 8.535 1.00 35.33 C ATOM 986 CG GLU A 425 12.675 -1.908 7.339 1.00 75.34 C ATOM 987 CD GLU A 425 12.855 -3.348 7.727 1.00 61.12 C ATOM 988 OE1 GLU A 425 11.847 -4.034 8.005 1.00 21.23 O ATOM 989 OE2 GLU A 425 14.003 -3.817 7.771 1.00 33.15 O ATOM 0 H GLU A 425 11.432 1.173 9.893 1.00 1.23 H new ATOM 0 HA GLU A 425 13.184 0.853 7.563 1.00 45.33 H new ATOM 0 HB2 GLU A 425 13.584 -1.074 9.068 1.00 35.33 H new ATOM 0 HB3 GLU A 425 11.858 -1.337 9.215 1.00 35.33 H new ATOM 0 HG2 GLU A 425 11.750 -1.800 6.772 1.00 75.34 H new ATOM 0 HG3 GLU A 425 13.490 -1.607 6.680 1.00 75.34 H new ATOM 996 N ASN A 426 11.095 0.407 6.171 1.00 15.00 N ATOM 997 CA ASN A 426 9.902 0.390 5.349 1.00 31.42 C ATOM 998 C ASN A 426 9.175 -0.891 5.661 1.00 74.43 C ATOM 999 O ASN A 426 9.575 -1.970 5.210 1.00 41.12 O ATOM 1000 CB ASN A 426 10.269 0.374 3.864 1.00 62.34 C ATOM 1001 CG ASN A 426 11.155 1.510 3.433 1.00 43.14 C ATOM 1002 OD1 ASN A 426 11.080 2.616 3.944 1.00 50.13 O ATOM 1003 ND2 ASN A 426 12.035 1.227 2.520 1.00 2.52 N ATOM 0 H ASN A 426 11.956 0.236 5.652 1.00 15.00 H new ATOM 0 HA ASN A 426 9.298 1.274 5.553 1.00 31.42 H new ATOM 0 HB2 ASN A 426 10.768 -0.568 3.635 1.00 62.34 H new ATOM 0 HB3 ASN A 426 9.352 0.400 3.275 1.00 62.34 H new ATOM 0 HD21 ASN A 426 12.693 1.941 2.208 1.00 2.52 H new ATOM 0 HD22 ASN A 426 12.068 0.291 2.116 1.00 2.52 H new ATOM 1009 N GLU A 427 8.178 -0.808 6.469 1.00 12.51 N ATOM 1010 CA GLU A 427 7.469 -1.980 6.875 1.00 65.02 C ATOM 1011 C GLU A 427 5.969 -1.800 6.756 1.00 0.24 C ATOM 1012 O GLU A 427 5.442 -0.710 7.022 1.00 44.35 O ATOM 1013 CB GLU A 427 7.884 -2.358 8.302 1.00 31.42 C ATOM 1014 CG GLU A 427 7.177 -3.566 8.883 1.00 43.35 C ATOM 1015 CD GLU A 427 7.717 -3.937 10.231 1.00 74.24 C ATOM 1016 OE1 GLU A 427 7.485 -3.194 11.206 1.00 45.42 O ATOM 1017 OE2 GLU A 427 8.409 -4.971 10.332 1.00 20.54 O ATOM 0 H GLU A 427 7.829 0.064 6.867 1.00 12.51 H new ATOM 0 HA GLU A 427 7.732 -2.798 6.204 1.00 65.02 H new ATOM 0 HB2 GLU A 427 8.958 -2.546 8.313 1.00 31.42 H new ATOM 0 HB3 GLU A 427 7.703 -1.503 8.954 1.00 31.42 H new ATOM 0 HG2 GLU A 427 6.110 -3.357 8.964 1.00 43.35 H new ATOM 0 HG3 GLU A 427 7.286 -4.411 8.204 1.00 43.35 H new ATOM 1024 N ILE A 428 5.293 -2.855 6.324 1.00 64.43 N ATOM 1025 CA ILE A 428 3.850 -2.864 6.266 1.00 54.11 C ATOM 1026 C ILE A 428 3.386 -3.229 7.655 1.00 3.12 C ATOM 1027 O ILE A 428 3.708 -4.309 8.152 1.00 34.31 O ATOM 1028 CB ILE A 428 3.302 -3.952 5.304 1.00 74.04 C ATOM 1029 CG1 ILE A 428 3.990 -3.908 3.930 1.00 40.02 C ATOM 1030 CG2 ILE A 428 1.796 -3.760 5.134 1.00 53.00 C ATOM 1031 CD1 ILE A 428 3.747 -2.643 3.164 1.00 41.54 C ATOM 0 H ILE A 428 5.731 -3.720 6.007 1.00 64.43 H new ATOM 0 HA ILE A 428 3.499 -1.894 5.913 1.00 54.11 H new ATOM 0 HB ILE A 428 3.513 -4.927 5.743 1.00 74.04 H new ATOM 0 HG12 ILE A 428 5.064 -4.035 4.069 1.00 40.02 H new ATOM 0 HG13 ILE A 428 3.643 -4.753 3.335 1.00 40.02 H new ATOM 0 HG21 ILE A 428 1.406 -4.522 4.459 1.00 53.00 H new ATOM 0 HG22 ILE A 428 1.306 -3.849 6.104 1.00 53.00 H new ATOM 0 HG23 ILE A 428 1.600 -2.772 4.718 1.00 53.00 H new ATOM 0 HD11 ILE A 428 4.266 -2.692 2.207 1.00 41.54 H new ATOM 0 HD12 ILE A 428 2.678 -2.522 2.991 1.00 41.54 H new ATOM 0 HD13 ILE A 428 4.120 -1.794 3.736 1.00 41.54 H new ATOM 1038 N VAL A 429 2.674 -2.357 8.269 1.00 64.35 N ATOM 1039 CA VAL A 429 2.231 -2.556 9.627 1.00 22.44 C ATOM 1040 C VAL A 429 0.974 -3.400 9.687 1.00 23.11 C ATOM 1041 O VAL A 429 0.918 -4.413 10.398 1.00 53.32 O ATOM 1042 CB VAL A 429 1.983 -1.186 10.321 1.00 73.23 C ATOM 1043 CG1 VAL A 429 1.287 -1.352 11.653 1.00 43.13 C ATOM 1044 CG2 VAL A 429 3.294 -0.438 10.498 1.00 55.41 C ATOM 0 H VAL A 429 2.373 -1.475 7.854 1.00 64.35 H new ATOM 0 HA VAL A 429 3.021 -3.091 10.155 1.00 22.44 H new ATOM 0 HB VAL A 429 1.326 -0.603 9.676 1.00 73.23 H new ATOM 0 HG11 VAL A 429 1.131 -0.373 12.107 1.00 43.13 H new ATOM 0 HG12 VAL A 429 0.324 -1.839 11.502 1.00 43.13 H new ATOM 0 HG13 VAL A 429 1.903 -1.963 12.312 1.00 43.13 H new ATOM 0 HG21 VAL A 429 3.104 0.519 10.985 1.00 55.41 H new ATOM 0 HG22 VAL A 429 3.971 -1.031 11.114 1.00 55.41 H new ATOM 0 HG23 VAL A 429 3.749 -0.265 9.523 1.00 55.41 H new ATOM 1050 N SER A 430 0.000 -3.029 8.921 1.00 4.44 N ATOM 1051 CA SER A 430 -1.276 -3.651 9.011 1.00 10.10 C ATOM 1052 C SER A 430 -2.077 -3.393 7.764 1.00 12.22 C ATOM 1053 O SER A 430 -1.785 -2.461 7.013 1.00 12.35 O ATOM 1054 CB SER A 430 -2.006 -3.091 10.238 1.00 32.14 C ATOM 1055 OG SER A 430 -2.042 -1.666 10.193 1.00 52.44 O ATOM 0 H SER A 430 0.068 -2.291 8.220 1.00 4.44 H new ATOM 0 HA SER A 430 -1.153 -4.729 9.113 1.00 10.10 H new ATOM 0 HB2 SER A 430 -3.022 -3.485 10.275 1.00 32.14 H new ATOM 0 HB3 SER A 430 -1.504 -3.419 11.148 1.00 32.14 H new ATOM 0 HG SER A 430 -2.513 -1.326 10.982 1.00 52.44 H new ATOM 1061 N VAL A 431 -3.059 -4.222 7.540 1.00 40.31 N ATOM 1062 CA VAL A 431 -3.948 -4.097 6.436 1.00 52.05 C ATOM 1063 C VAL A 431 -5.333 -4.475 6.883 1.00 45.33 C ATOM 1064 O VAL A 431 -5.555 -5.563 7.416 1.00 41.25 O ATOM 1065 CB VAL A 431 -3.495 -4.919 5.187 1.00 42.32 C ATOM 1066 CG1 VAL A 431 -3.207 -6.352 5.536 1.00 44.34 C ATOM 1067 CG2 VAL A 431 -4.542 -4.850 4.091 1.00 22.44 C ATOM 0 H VAL A 431 -3.262 -5.021 8.140 1.00 40.31 H new ATOM 0 HA VAL A 431 -3.940 -3.058 6.107 1.00 52.05 H new ATOM 0 HB VAL A 431 -2.570 -4.471 4.824 1.00 42.32 H new ATOM 0 HG11 VAL A 431 -2.895 -6.889 4.640 1.00 44.34 H new ATOM 0 HG12 VAL A 431 -2.411 -6.393 6.279 1.00 44.34 H new ATOM 0 HG13 VAL A 431 -4.106 -6.815 5.942 1.00 44.34 H new ATOM 0 HG21 VAL A 431 -4.207 -5.429 3.231 1.00 22.44 H new ATOM 0 HG22 VAL A 431 -5.482 -5.260 4.460 1.00 22.44 H new ATOM 0 HG23 VAL A 431 -4.690 -3.812 3.794 1.00 22.44 H new ATOM 1073 N LEU A 432 -6.234 -3.583 6.716 1.00 74.33 N ATOM 1074 CA LEU A 432 -7.579 -3.786 7.131 1.00 62.52 C ATOM 1075 C LEU A 432 -8.481 -3.413 5.975 1.00 52.22 C ATOM 1076 O LEU A 432 -8.214 -2.436 5.289 1.00 10.11 O ATOM 1077 CB LEU A 432 -7.857 -2.912 8.355 1.00 40.33 C ATOM 1078 CG LEU A 432 -9.163 -3.157 9.087 1.00 62.11 C ATOM 1079 CD1 LEU A 432 -9.191 -4.576 9.636 1.00 23.42 C ATOM 1080 CD2 LEU A 432 -9.323 -2.150 10.211 1.00 52.41 C ATOM 0 H LEU A 432 -6.061 -2.676 6.282 1.00 74.33 H new ATOM 0 HA LEU A 432 -7.760 -4.825 7.407 1.00 62.52 H new ATOM 0 HB2 LEU A 432 -7.040 -3.049 9.063 1.00 40.33 H new ATOM 0 HB3 LEU A 432 -7.834 -1.869 8.040 1.00 40.33 H new ATOM 0 HG LEU A 432 -9.993 -3.036 8.390 1.00 62.11 H new ATOM 0 HD11 LEU A 432 -10.132 -4.745 10.160 1.00 23.42 H new ATOM 0 HD12 LEU A 432 -9.101 -5.286 8.814 1.00 23.42 H new ATOM 0 HD13 LEU A 432 -8.360 -4.715 10.328 1.00 23.42 H new ATOM 0 HD21 LEU A 432 -10.263 -2.332 10.732 1.00 52.41 H new ATOM 0 HD22 LEU A 432 -8.494 -2.252 10.912 1.00 52.41 H new ATOM 0 HD23 LEU A 432 -9.327 -1.141 9.798 1.00 52.41 H new ATOM 1088 N GLU A 433 -9.499 -4.184 5.710 1.00 43.52 N ATOM 1089 CA GLU A 433 -10.361 -3.867 4.601 1.00 11.03 C ATOM 1090 C GLU A 433 -11.356 -2.799 5.042 1.00 63.10 C ATOM 1091 O GLU A 433 -12.153 -3.014 5.960 1.00 25.43 O ATOM 1092 CB GLU A 433 -11.072 -5.119 4.074 1.00 20.01 C ATOM 1093 CG GLU A 433 -11.803 -4.900 2.760 1.00 52.22 C ATOM 1094 CD GLU A 433 -12.454 -6.164 2.235 1.00 64.12 C ATOM 1095 OE1 GLU A 433 -13.616 -6.453 2.612 1.00 63.22 O ATOM 1096 OE2 GLU A 433 -11.805 -6.900 1.445 1.00 5.53 O ATOM 0 H GLU A 433 -9.751 -5.022 6.234 1.00 43.52 H new ATOM 0 HA GLU A 433 -9.764 -3.479 3.776 1.00 11.03 H new ATOM 0 HB2 GLU A 433 -10.338 -5.914 3.943 1.00 20.01 H new ATOM 0 HB3 GLU A 433 -11.785 -5.463 4.823 1.00 20.01 H new ATOM 0 HG2 GLU A 433 -12.566 -4.133 2.897 1.00 52.22 H new ATOM 0 HG3 GLU A 433 -11.101 -4.522 2.017 1.00 52.22 H new ATOM 1103 N ALA A 434 -11.270 -1.645 4.402 1.00 33.23 N ATOM 1104 CA ALA A 434 -12.070 -0.491 4.749 1.00 74.33 C ATOM 1105 C ALA A 434 -13.490 -0.672 4.293 1.00 3.13 C ATOM 1106 O ALA A 434 -14.409 -0.737 5.098 1.00 13.22 O ATOM 1107 CB ALA A 434 -11.474 0.768 4.129 1.00 11.43 C ATOM 0 H ALA A 434 -10.635 -1.485 3.620 1.00 33.23 H new ATOM 0 HA ALA A 434 -12.069 -0.385 5.834 1.00 74.33 H new ATOM 0 HB1 ALA A 434 -12.085 1.630 4.397 1.00 11.43 H new ATOM 0 HB2 ALA A 434 -10.460 0.912 4.502 1.00 11.43 H new ATOM 0 HB3 ALA A 434 -11.451 0.663 3.044 1.00 11.43 H new ATOM 1113 N GLN A 435 -13.664 -0.758 3.006 1.00 74.21 N ATOM 1114 CA GLN A 435 -14.974 -0.922 2.449 1.00 72.52 C ATOM 1115 C GLN A 435 -15.195 -2.319 1.944 1.00 62.31 C ATOM 1116 O GLN A 435 -15.846 -3.126 2.610 1.00 23.43 O ATOM 1117 CB GLN A 435 -15.269 0.124 1.368 1.00 72.40 C ATOM 1118 CG GLN A 435 -15.443 1.522 1.915 1.00 21.23 C ATOM 1119 CD GLN A 435 -15.679 2.569 0.842 1.00 2.32 C ATOM 1120 OE1 GLN A 435 -16.824 2.839 0.463 1.00 20.12 O ATOM 1121 NE2 GLN A 435 -14.628 3.186 0.371 1.00 34.13 N ATOM 0 H GLN A 435 -12.910 -0.717 2.320 1.00 74.21 H new ATOM 0 HA GLN A 435 -15.686 -0.757 3.258 1.00 72.52 H new ATOM 0 HB2 GLN A 435 -14.456 0.125 0.642 1.00 72.40 H new ATOM 0 HB3 GLN A 435 -16.174 -0.164 0.832 1.00 72.40 H new ATOM 0 HG2 GLN A 435 -16.283 1.530 2.609 1.00 21.23 H new ATOM 0 HG3 GLN A 435 -14.555 1.793 2.486 1.00 21.23 H new ATOM 0 HE21 GLN A 435 -13.698 2.937 0.707 1.00 34.13 H new ATOM 0 HE22 GLN A 435 -14.738 3.916 -0.332 1.00 34.13 H new ATOM 1129 N LYS A 436 -14.623 -2.629 0.796 1.00 2.41 N ATOM 1130 CA LYS A 436 -14.868 -3.919 0.169 1.00 53.01 C ATOM 1131 C LYS A 436 -13.822 -4.251 -0.896 1.00 41.23 C ATOM 1132 O LYS A 436 -13.510 -5.411 -1.135 1.00 21.01 O ATOM 1133 CB LYS A 436 -16.284 -3.904 -0.393 1.00 3.54 C ATOM 1134 CG LYS A 436 -16.558 -2.765 -1.350 1.00 52.24 C ATOM 1135 CD LYS A 436 -18.028 -2.589 -1.516 1.00 54.33 C ATOM 1136 CE LYS A 436 -18.360 -1.489 -2.498 1.00 72.13 C ATOM 1137 NZ LYS A 436 -19.815 -1.283 -2.612 1.00 52.43 N ATOM 0 H LYS A 436 -13.992 -2.015 0.281 1.00 2.41 H new ATOM 0 HA LYS A 436 -14.778 -4.713 0.910 1.00 53.01 H new ATOM 0 HB2 LYS A 436 -16.470 -4.848 -0.906 1.00 3.54 H new ATOM 0 HB3 LYS A 436 -16.991 -3.847 0.435 1.00 3.54 H new ATOM 0 HG2 LYS A 436 -16.113 -1.845 -0.972 1.00 52.24 H new ATOM 0 HG3 LYS A 436 -16.095 -2.970 -2.316 1.00 52.24 H new ATOM 0 HD2 LYS A 436 -18.469 -3.525 -1.858 1.00 54.33 H new ATOM 0 HD3 LYS A 436 -18.477 -2.360 -0.550 1.00 54.33 H new ATOM 0 HE2 LYS A 436 -17.885 -0.561 -2.180 1.00 72.13 H new ATOM 0 HE3 LYS A 436 -17.950 -1.738 -3.477 1.00 72.13 H new ATOM 0 HZ1 LYS A 436 -20.005 -0.521 -3.294 1.00 52.43 H new ATOM 0 HZ2 LYS A 436 -20.265 -2.161 -2.939 1.00 52.43 H new ATOM 0 HZ3 LYS A 436 -20.202 -1.021 -1.683 1.00 52.43 H new ATOM 1151 N CYS A 437 -13.303 -3.229 -1.519 1.00 2.21 N ATOM 1152 CA CYS A 437 -12.246 -3.348 -2.505 1.00 35.13 C ATOM 1153 C CYS A 437 -11.165 -2.356 -2.171 1.00 1.54 C ATOM 1154 O CYS A 437 -10.256 -2.127 -2.932 1.00 74.13 O ATOM 1155 CB CYS A 437 -12.787 -3.044 -3.894 1.00 41.34 C ATOM 1156 SG CYS A 437 -14.040 -4.214 -4.511 1.00 61.42 S ATOM 0 H CYS A 437 -13.604 -2.268 -1.358 1.00 2.21 H new ATOM 0 HA CYS A 437 -11.851 -4.364 -2.493 1.00 35.13 H new ATOM 0 HB2 CYS A 437 -13.219 -2.043 -3.887 1.00 41.34 H new ATOM 0 HB3 CYS A 437 -11.953 -3.026 -4.596 1.00 41.34 H new ATOM 1161 N GLU A 438 -11.268 -1.804 -1.009 1.00 43.11 N ATOM 1162 CA GLU A 438 -10.381 -0.780 -0.551 1.00 33.32 C ATOM 1163 C GLU A 438 -9.912 -1.123 0.822 1.00 44.05 C ATOM 1164 O GLU A 438 -10.717 -1.461 1.693 1.00 54.01 O ATOM 1165 CB GLU A 438 -11.085 0.571 -0.571 1.00 11.11 C ATOM 1166 CG GLU A 438 -10.323 1.700 0.112 1.00 10.55 C ATOM 1167 CD GLU A 438 -11.070 3.004 0.092 1.00 44.31 C ATOM 1168 OE1 GLU A 438 -11.943 3.197 0.945 1.00 5.35 O ATOM 1169 OE2 GLU A 438 -10.791 3.862 -0.779 1.00 12.13 O ATOM 0 H GLU A 438 -11.988 -2.056 -0.332 1.00 43.11 H new ATOM 0 HA GLU A 438 -9.517 -0.713 -1.212 1.00 33.32 H new ATOM 0 HB2 GLU A 438 -11.271 0.852 -1.607 1.00 11.11 H new ATOM 0 HB3 GLU A 438 -12.057 0.465 -0.090 1.00 11.11 H new ATOM 0 HG2 GLU A 438 -10.118 1.420 1.145 1.00 10.55 H new ATOM 0 HG3 GLU A 438 -9.359 1.831 -0.380 1.00 10.55 H new ATOM 1176 N TYR A 439 -8.633 -1.077 1.005 1.00 34.04 N ATOM 1177 CA TYR A 439 -8.020 -1.432 2.256 1.00 34.03 C ATOM 1178 C TYR A 439 -7.291 -0.249 2.855 1.00 20.52 C ATOM 1179 O TYR A 439 -6.841 0.636 2.136 1.00 15.23 O ATOM 1180 CB TYR A 439 -7.031 -2.581 2.013 1.00 74.20 C ATOM 1181 CG TYR A 439 -7.673 -3.790 1.376 1.00 32.51 C ATOM 1182 CD1 TYR A 439 -7.834 -3.879 -0.006 1.00 73.53 C ATOM 1183 CD2 TYR A 439 -8.132 -4.830 2.148 1.00 21.42 C ATOM 1184 CE1 TYR A 439 -8.437 -4.965 -0.579 1.00 3.22 C ATOM 1185 CE2 TYR A 439 -8.735 -5.922 1.581 1.00 31.12 C ATOM 1186 CZ TYR A 439 -8.892 -5.988 0.225 1.00 2.11 C ATOM 1187 OH TYR A 439 -9.500 -7.080 -0.327 1.00 45.41 O ATOM 0 H TYR A 439 -7.971 -0.789 0.285 1.00 34.04 H new ATOM 0 HA TYR A 439 -8.795 -1.743 2.957 1.00 34.03 H new ATOM 0 HB2 TYR A 439 -6.222 -2.227 1.374 1.00 74.20 H new ATOM 0 HB3 TYR A 439 -6.582 -2.873 2.962 1.00 74.20 H new ATOM 0 HD1 TYR A 439 -7.477 -3.077 -0.635 1.00 73.53 H new ATOM 0 HD2 TYR A 439 -8.015 -4.786 3.221 1.00 21.42 H new ATOM 0 HE1 TYR A 439 -8.555 -5.020 -1.651 1.00 3.22 H new ATOM 0 HE2 TYR A 439 -9.086 -6.730 2.205 1.00 31.12 H new ATOM 0 HH TYR A 439 -10.361 -7.233 0.115 1.00 45.41 H new ATOM 1197 N LEU A 440 -7.214 -0.211 4.160 1.00 34.42 N ATOM 1198 CA LEU A 440 -6.410 0.764 4.837 1.00 1.45 C ATOM 1199 C LEU A 440 -5.193 0.059 5.370 1.00 51.34 C ATOM 1200 O LEU A 440 -5.300 -0.925 6.116 1.00 43.22 O ATOM 1201 CB LEU A 440 -7.140 1.566 5.965 1.00 21.12 C ATOM 1202 CG LEU A 440 -7.749 0.793 7.161 1.00 50.23 C ATOM 1203 CD1 LEU A 440 -8.036 1.758 8.289 1.00 61.15 C ATOM 1204 CD2 LEU A 440 -9.055 0.137 6.771 1.00 10.21 C ATOM 0 H LEU A 440 -7.707 -0.855 4.779 1.00 34.42 H new ATOM 0 HA LEU A 440 -6.147 1.532 4.109 1.00 1.45 H new ATOM 0 HB2 LEU A 440 -6.430 2.289 6.367 1.00 21.12 H new ATOM 0 HB3 LEU A 440 -7.944 2.135 5.497 1.00 21.12 H new ATOM 0 HG LEU A 440 -7.034 0.030 7.469 1.00 50.23 H new ATOM 0 HD11 LEU A 440 -8.465 1.216 9.132 1.00 61.15 H new ATOM 0 HD12 LEU A 440 -7.109 2.239 8.601 1.00 61.15 H new ATOM 0 HD13 LEU A 440 -8.741 2.516 7.949 1.00 61.15 H new ATOM 0 HD21 LEU A 440 -9.463 -0.400 7.628 1.00 10.21 H new ATOM 0 HD22 LEU A 440 -9.764 0.900 6.450 1.00 10.21 H new ATOM 0 HD23 LEU A 440 -8.881 -0.563 5.954 1.00 10.21 H new ATOM 1212 N ILE A 441 -4.066 0.506 4.944 1.00 11.42 N ATOM 1213 CA ILE A 441 -2.806 -0.088 5.299 1.00 55.22 C ATOM 1214 C ILE A 441 -1.904 0.958 5.919 1.00 71.01 C ATOM 1215 O ILE A 441 -1.725 2.049 5.367 1.00 61.31 O ATOM 1216 CB ILE A 441 -2.134 -0.683 4.027 1.00 42.52 C ATOM 1217 CG1 ILE A 441 -2.966 -1.843 3.482 1.00 25.24 C ATOM 1218 CG2 ILE A 441 -0.694 -1.130 4.299 1.00 53.23 C ATOM 1219 CD1 ILE A 441 -2.546 -2.338 2.115 1.00 71.43 C ATOM 0 H ILE A 441 -3.981 1.312 4.325 1.00 11.42 H new ATOM 0 HA ILE A 441 -2.973 -0.886 6.022 1.00 55.22 H new ATOM 0 HB ILE A 441 -2.091 0.105 3.275 1.00 42.52 H new ATOM 0 HG12 ILE A 441 -2.911 -2.673 4.186 1.00 25.24 H new ATOM 0 HG13 ILE A 441 -4.010 -1.533 3.436 1.00 25.24 H new ATOM 0 HG21 ILE A 441 -0.261 -1.539 3.386 1.00 53.23 H new ATOM 0 HG22 ILE A 441 -0.104 -0.275 4.629 1.00 53.23 H new ATOM 0 HG23 ILE A 441 -0.691 -1.894 5.076 1.00 53.23 H new ATOM 0 HD11 ILE A 441 -3.193 -3.161 1.811 1.00 71.43 H new ATOM 0 HD12 ILE A 441 -2.629 -1.526 1.393 1.00 71.43 H new ATOM 0 HD13 ILE A 441 -1.513 -2.684 2.155 1.00 71.43 H new ATOM 1226 N LYS A 442 -1.358 0.665 7.064 1.00 12.52 N ATOM 1227 CA LYS A 442 -0.453 1.580 7.669 1.00 74.42 C ATOM 1228 C LYS A 442 0.956 1.065 7.489 1.00 70.40 C ATOM 1229 O LYS A 442 1.194 -0.144 7.542 1.00 50.22 O ATOM 1230 CB LYS A 442 -0.802 1.831 9.141 1.00 62.03 C ATOM 1231 CG LYS A 442 0.099 2.860 9.814 1.00 72.01 C ATOM 1232 CD LYS A 442 -0.388 3.226 11.206 1.00 12.22 C ATOM 1233 CE LYS A 442 -0.428 2.034 12.142 1.00 61.23 C ATOM 1234 NZ LYS A 442 -0.825 2.421 13.514 1.00 24.32 N ATOM 0 H LYS A 442 -1.526 -0.194 7.588 1.00 12.52 H new ATOM 0 HA LYS A 442 -0.534 2.550 7.178 1.00 74.42 H new ATOM 0 HB2 LYS A 442 -1.837 2.167 9.208 1.00 62.03 H new ATOM 0 HB3 LYS A 442 -0.736 0.890 9.687 1.00 62.03 H new ATOM 0 HG2 LYS A 442 1.113 2.466 9.878 1.00 72.01 H new ATOM 0 HG3 LYS A 442 0.144 3.759 9.199 1.00 72.01 H new ATOM 0 HD2 LYS A 442 0.265 3.991 11.626 1.00 12.22 H new ATOM 0 HD3 LYS A 442 -1.385 3.661 11.135 1.00 12.22 H new ATOM 0 HE2 LYS A 442 -1.129 1.294 11.757 1.00 61.23 H new ATOM 0 HE3 LYS A 442 0.553 1.560 12.168 1.00 61.23 H new ATOM 0 HZ1 LYS A 442 -0.840 1.577 14.122 1.00 24.32 H new ATOM 0 HZ2 LYS A 442 -0.142 3.108 13.892 1.00 24.32 H new ATOM 0 HZ3 LYS A 442 -1.772 2.850 13.493 1.00 24.32 H new ATOM 1248 N MET A 443 1.868 1.953 7.225 1.00 44.53 N ATOM 1249 CA MET A 443 3.237 1.609 7.001 1.00 42.41 C ATOM 1250 C MET A 443 4.106 2.542 7.747 1.00 23.51 C ATOM 1251 O MET A 443 3.652 3.576 8.245 1.00 31.43 O ATOM 1252 CB MET A 443 3.625 1.701 5.524 1.00 70.54 C ATOM 1253 CG MET A 443 2.970 0.706 4.605 1.00 34.13 C ATOM 1254 SD MET A 443 3.575 0.852 2.911 1.00 14.11 S ATOM 1255 CE MET A 443 5.339 0.611 3.157 1.00 35.13 C ATOM 0 H MET A 443 1.676 2.953 7.159 1.00 44.53 H new ATOM 0 HA MET A 443 3.365 0.580 7.336 1.00 42.41 H new ATOM 0 HB2 MET A 443 3.388 2.704 5.169 1.00 70.54 H new ATOM 0 HB3 MET A 443 4.706 1.582 5.445 1.00 70.54 H new ATOM 0 HG2 MET A 443 3.157 -0.304 4.971 1.00 34.13 H new ATOM 0 HG3 MET A 443 1.890 0.855 4.619 1.00 34.13 H new ATOM 0 HE1 MET A 443 5.777 0.185 2.254 1.00 35.13 H new ATOM 0 HE2 MET A 443 5.811 1.570 3.372 1.00 35.13 H new ATOM 0 HE3 MET A 443 5.500 -0.069 3.994 1.00 35.13 H new ATOM 1265 N LYS A 444 5.337 2.195 7.834 1.00 73.15 N ATOM 1266 CA LYS A 444 6.311 3.043 8.422 1.00 53.14 C ATOM 1267 C LYS A 444 7.486 3.066 7.510 1.00 2.22 C ATOM 1268 O LYS A 444 7.676 2.143 6.709 1.00 44.21 O ATOM 1269 CB LYS A 444 6.744 2.555 9.789 1.00 62.11 C ATOM 1270 CG LYS A 444 5.633 2.352 10.760 1.00 53.14 C ATOM 1271 CD LYS A 444 5.135 3.663 11.276 1.00 72.22 C ATOM 1272 CE LYS A 444 3.966 3.435 12.167 1.00 61.14 C ATOM 1273 NZ LYS A 444 3.468 4.655 12.839 1.00 3.02 N ATOM 0 H LYS A 444 5.703 1.305 7.496 1.00 73.15 H new ATOM 0 HA LYS A 444 5.883 4.036 8.559 1.00 53.14 H new ATOM 0 HB2 LYS A 444 7.281 1.614 9.670 1.00 62.11 H new ATOM 0 HB3 LYS A 444 7.449 3.273 10.209 1.00 62.11 H new ATOM 0 HG2 LYS A 444 4.818 1.812 10.279 1.00 53.14 H new ATOM 0 HG3 LYS A 444 5.978 1.736 11.591 1.00 53.14 H new ATOM 0 HD2 LYS A 444 5.927 4.175 11.822 1.00 72.22 H new ATOM 0 HD3 LYS A 444 4.852 4.309 10.445 1.00 72.22 H new ATOM 0 HE2 LYS A 444 3.156 3.000 11.581 1.00 61.14 H new ATOM 0 HE3 LYS A 444 4.239 2.702 12.926 1.00 61.14 H new ATOM 0 HZ1 LYS A 444 3.207 4.429 13.820 1.00 3.02 H new ATOM 0 HZ2 LYS A 444 4.213 5.381 12.837 1.00 3.02 H new ATOM 0 HZ3 LYS A 444 2.633 5.014 12.333 1.00 3.02 H new ATOM 1287 N SER A 445 8.238 4.094 7.609 1.00 30.00 N ATOM 1288 CA SER A 445 9.419 4.285 6.800 1.00 32.41 C ATOM 1289 C SER A 445 10.283 5.368 7.428 1.00 24.22 C ATOM 1290 O SER A 445 9.758 6.322 8.024 1.00 60.42 O ATOM 1291 CB SER A 445 9.012 4.713 5.358 1.00 13.24 C ATOM 1292 OG SER A 445 10.144 4.997 4.546 1.00 50.21 O ATOM 0 H SER A 445 8.062 4.855 8.265 1.00 30.00 H new ATOM 0 HA SER A 445 9.978 3.351 6.748 1.00 32.41 H new ATOM 0 HB2 SER A 445 8.425 3.919 4.896 1.00 13.24 H new ATOM 0 HB3 SER A 445 8.372 5.594 5.409 1.00 13.24 H new ATOM 0 HG SER A 445 10.482 4.165 4.153 1.00 50.21 H new ATOM 1298 N PRO A 446 11.614 5.248 7.332 1.00 34.43 N ATOM 1299 CA PRO A 446 12.522 6.280 7.817 1.00 13.23 C ATOM 1300 C PRO A 446 12.395 7.552 6.972 1.00 21.13 C ATOM 1301 O PRO A 446 12.713 8.652 7.420 1.00 3.21 O ATOM 1302 CB PRO A 446 13.913 5.654 7.647 1.00 35.42 C ATOM 1303 CG PRO A 446 13.739 4.598 6.613 1.00 11.30 C ATOM 1304 CD PRO A 446 12.340 4.086 6.774 1.00 42.32 C ATOM 0 HA PRO A 446 12.315 6.575 8.846 1.00 13.23 H new ATOM 0 HB2 PRO A 446 14.644 6.398 7.331 1.00 35.42 H new ATOM 0 HB3 PRO A 446 14.273 5.232 8.585 1.00 35.42 H new ATOM 0 HG2 PRO A 446 13.893 5.003 5.613 1.00 11.30 H new ATOM 0 HG3 PRO A 446 14.465 3.797 6.748 1.00 11.30 H new ATOM 0 HD2 PRO A 446 11.917 3.767 5.822 1.00 42.32 H new ATOM 0 HD3 PRO A 446 12.301 3.227 7.444 1.00 42.32 H new ATOM 1312 N ALA A 447 11.883 7.391 5.761 1.00 12.44 N ATOM 1313 CA ALA A 447 11.713 8.492 4.845 1.00 4.24 C ATOM 1314 C ALA A 447 10.465 9.308 5.194 1.00 33.55 C ATOM 1315 O ALA A 447 10.329 10.478 4.796 1.00 71.45 O ATOM 1316 CB ALA A 447 11.655 7.984 3.417 1.00 40.11 C ATOM 0 H ALA A 447 11.576 6.491 5.392 1.00 12.44 H new ATOM 0 HA ALA A 447 12.574 9.154 4.937 1.00 4.24 H new ATOM 0 HB1 ALA A 447 11.526 8.826 2.736 1.00 40.11 H new ATOM 0 HB2 ALA A 447 12.582 7.463 3.178 1.00 40.11 H new ATOM 0 HB3 ALA A 447 10.815 7.298 3.309 1.00 40.11 H new ATOM 1322 N ALA A 448 9.568 8.705 5.968 1.00 34.44 N ATOM 1323 CA ALA A 448 8.346 9.381 6.390 1.00 33.52 C ATOM 1324 C ALA A 448 8.522 9.936 7.777 1.00 51.25 C ATOM 1325 O ALA A 448 7.570 10.372 8.416 1.00 72.43 O ATOM 1326 CB ALA A 448 7.175 8.432 6.374 1.00 35.41 C ATOM 0 H ALA A 448 9.664 7.751 6.315 1.00 34.44 H new ATOM 0 HA ALA A 448 8.146 10.194 5.692 1.00 33.52 H new ATOM 0 HB1 ALA A 448 6.275 8.959 6.692 1.00 35.41 H new ATOM 0 HB2 ALA A 448 7.032 8.047 5.364 1.00 35.41 H new ATOM 0 HB3 ALA A 448 7.370 7.603 7.054 1.00 35.41 H new ATOM 1332 N CYS A 449 9.731 9.923 8.244 1.00 74.43 N ATOM 1333 CA CYS A 449 10.007 10.416 9.542 1.00 52.54 C ATOM 1334 C CYS A 449 10.639 11.780 9.416 1.00 32.33 C ATOM 1335 O CYS A 449 11.690 11.928 8.789 1.00 64.02 O ATOM 1336 CB CYS A 449 10.948 9.468 10.266 1.00 52.04 C ATOM 1337 SG CYS A 449 11.059 9.755 12.051 1.00 21.52 S ATOM 0 H CYS A 449 10.543 9.572 7.736 1.00 74.43 H new ATOM 0 HA CYS A 449 9.083 10.491 10.116 1.00 52.54 H new ATOM 0 HB2 CYS A 449 10.618 8.444 10.094 1.00 52.04 H new ATOM 0 HB3 CYS A 449 11.944 9.559 9.832 1.00 52.04 H new ATOM 1342 N SER A 450 9.993 12.760 9.985 1.00 61.20 N ATOM 1343 CA SER A 450 10.445 14.114 9.955 1.00 21.12 C ATOM 1344 C SER A 450 9.606 14.897 10.953 1.00 53.15 C ATOM 1345 O SER A 450 10.085 15.139 12.080 1.00 36.43 O ATOM 1346 CB SER A 450 10.317 14.703 8.527 1.00 43.13 C ATOM 1347 OG SER A 450 10.896 16.005 8.425 1.00 3.11 O ATOM 1348 OXT SER A 450 8.451 15.257 10.621 1.00 36.43 O ATOM 0 H SER A 450 9.118 12.631 10.493 1.00 61.20 H new ATOM 0 HA SER A 450 11.499 14.173 10.226 1.00 21.12 H new ATOM 0 HB2 SER A 450 10.803 14.035 7.816 1.00 43.13 H new ATOM 0 HB3 SER A 450 9.264 14.753 8.250 1.00 43.13 H new ATOM 0 HG SER A 450 10.794 16.337 7.509 1.00 3.11 H new TER 1354 SER A 450