USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 419 GLN : amide:sc= -1.22 K(o=-2.7,f=-0.34) USER MOD Set 1.2: A 423 GLN : amide:sc= -1.49 K(o=-2.7,f=-0.34) USER MOD Set 2.1: A 398 GLN : amide:sc= 0 K(o=-0.71,f=-1.7) USER MOD Set 2.2: A 452 SER OG : rot 180:sc= -0.711 USER MOD Single : A 399 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 ASN : amide:sc= 0.256 X(o=0.26,f=0.46) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 414 GLN : amide:sc= -0.975 K(o=-0.98,f=-1.8) USER MOD Single : A 424 MET CE :methyl -163:sc=-0.00718 (180deg=-0.517) USER MOD Single : A 426 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= 0.0487 K(o=0.049,f=-2.7!) USER MOD Single : A 433 SER OG : rot 170:sc= 0.00184 USER MOD Single : A 435 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.233) USER MOD Single : A 453 TYR OH : rot 31:sc= 0.876 USER MOD Single : A 455 ASN : amide:sc= -0.846 K(o=-0.85,f=-0.063) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 460 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.26) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= 0.691 K(o=0.69,f=-0.13) USER MOD Single : A 470 GLN : amide:sc= 0.582 K(o=0.58,f=-4.3!) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ -172:sc= 0.241 (180deg=0.219) USER MOD Single : A 479 GLN : amide:sc= 0.0923 K(o=0.092,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 0.923 6.606 7.624 1.00 71.30 N ATOM 57 CA GLN A 398 -0.001 7.320 6.697 1.00 51.20 C ATOM 58 C GLN A 398 -0.363 8.723 7.282 1.00 55.32 C ATOM 59 O GLN A 398 -1.017 8.792 8.325 1.00 45.32 O ATOM 60 CB GLN A 398 -1.264 6.418 6.448 1.00 61.40 C ATOM 61 CG GLN A 398 -2.504 7.024 5.694 1.00 40.31 C ATOM 62 CD GLN A 398 -2.228 7.690 4.337 1.00 42.11 C ATOM 63 OE1 GLN A 398 -1.274 7.331 3.645 1.00 65.35 O ATOM 64 NE2 GLN A 398 -3.111 8.626 3.914 1.00 32.14 N ATOM 0 HA GLN A 398 0.477 7.498 5.734 1.00 51.20 H new ATOM 0 HB2 GLN A 398 -0.936 5.542 5.889 1.00 61.40 H new ATOM 0 HB3 GLN A 398 -1.611 6.065 7.419 1.00 61.40 H new ATOM 0 HG2 GLN A 398 -3.232 6.227 5.540 1.00 40.31 H new ATOM 0 HG3 GLN A 398 -2.972 7.761 6.346 1.00 40.31 H new ATOM 0 HE21 GLN A 398 -3.890 8.900 4.513 1.00 32.14 H new ATOM 0 HE22 GLN A 398 -2.997 9.057 2.997 1.00 32.14 H new ATOM 73 N LYS A 399 0.061 9.831 6.596 1.00 21.44 N ATOM 74 CA LYS A 399 -0.083 11.220 7.068 1.00 23.11 C ATOM 75 C LYS A 399 0.241 12.214 5.903 1.00 10.24 C ATOM 76 O LYS A 399 1.379 12.612 5.675 1.00 14.14 O ATOM 77 CB LYS A 399 0.644 11.570 8.435 1.00 52.05 C ATOM 78 CG LYS A 399 2.031 10.946 8.773 1.00 74.41 C ATOM 79 CD LYS A 399 3.095 11.262 7.741 1.00 62.12 C ATOM 80 CE LYS A 399 4.546 11.021 8.222 1.00 3.41 C ATOM 81 NZ LYS A 399 5.002 12.130 9.096 1.00 14.43 N ATOM 0 H LYS A 399 0.518 9.767 5.686 1.00 21.44 H new ATOM 0 HA LYS A 399 -1.130 11.339 7.347 1.00 23.11 H new ATOM 0 HB2 LYS A 399 0.761 12.653 8.469 1.00 52.05 H new ATOM 0 HB3 LYS A 399 -0.037 11.297 9.241 1.00 52.05 H new ATOM 0 HG2 LYS A 399 2.359 11.310 9.747 1.00 74.41 H new ATOM 0 HG3 LYS A 399 1.925 9.864 8.857 1.00 74.41 H new ATOM 0 HD2 LYS A 399 2.914 10.655 6.854 1.00 62.12 H new ATOM 0 HD3 LYS A 399 2.994 12.305 7.440 1.00 62.12 H new ATOM 0 HE2 LYS A 399 4.602 10.077 8.765 1.00 3.41 H new ATOM 0 HE3 LYS A 399 5.209 10.934 7.362 1.00 3.41 H new ATOM 0 HZ1 LYS A 399 5.978 11.948 9.407 1.00 14.43 H new ATOM 0 HZ2 LYS A 399 4.968 13.025 8.567 1.00 14.43 H new ATOM 0 HZ3 LYS A 399 4.380 12.195 9.927 1.00 14.43 H new ATOM 95 N GLU A 400 -0.798 12.540 5.119 1.00 61.13 N ATOM 96 CA GLU A 400 -0.661 13.445 3.924 1.00 35.11 C ATOM 97 C GLU A 400 -0.438 14.936 4.317 1.00 10.04 C ATOM 98 O GLU A 400 -0.648 15.315 5.470 1.00 51.15 O ATOM 99 CB GLU A 400 -1.823 13.359 2.874 1.00 22.13 C ATOM 100 CG GLU A 400 -3.119 13.936 3.356 1.00 51.12 C ATOM 101 CD GLU A 400 -3.966 14.441 2.210 1.00 74.13 C ATOM 102 OE1 GLU A 400 -3.675 15.530 1.690 1.00 23.44 O ATOM 103 OE2 GLU A 400 -4.904 13.718 1.806 1.00 5.12 O ATOM 0 H GLU A 400 -1.747 12.201 5.275 1.00 61.13 H new ATOM 0 HA GLU A 400 0.232 13.055 3.436 1.00 35.11 H new ATOM 0 HB2 GLU A 400 -1.519 13.881 1.967 1.00 22.13 H new ATOM 0 HB3 GLU A 400 -1.979 12.315 2.604 1.00 22.13 H new ATOM 0 HG2 GLU A 400 -3.671 13.177 3.910 1.00 51.12 H new ATOM 0 HG3 GLU A 400 -2.918 14.754 4.048 1.00 51.12 H new ATOM 110 N GLY A 401 -0.016 15.766 3.341 1.00 63.41 N ATOM 111 CA GLY A 401 0.474 17.130 3.653 1.00 20.15 C ATOM 112 C GLY A 401 -0.476 18.242 3.187 1.00 62.35 C ATOM 113 O GLY A 401 -1.420 18.536 3.914 1.00 64.34 O ATOM 0 H GLY A 401 -0.003 15.526 2.350 1.00 63.41 H new ATOM 0 HA2 GLY A 401 0.623 17.217 4.729 1.00 20.15 H new ATOM 0 HA3 GLY A 401 1.447 17.274 3.184 1.00 20.15 H new ATOM 117 N PRO A 402 -0.295 18.907 2.009 1.00 72.42 N ATOM 118 CA PRO A 402 -1.176 20.007 1.627 1.00 3.43 C ATOM 119 C PRO A 402 -2.430 19.521 0.871 1.00 4.45 C ATOM 120 O PRO A 402 -2.534 18.344 0.517 1.00 65.24 O ATOM 121 CB PRO A 402 -0.224 20.848 0.750 1.00 42.34 C ATOM 122 CG PRO A 402 0.480 19.819 -0.037 1.00 44.02 C ATOM 123 CD PRO A 402 0.738 18.680 0.954 1.00 3.33 C ATOM 0 HA PRO A 402 -1.604 20.558 2.465 1.00 3.43 H new ATOM 0 HB2 PRO A 402 -0.769 21.544 0.112 1.00 42.34 H new ATOM 0 HB3 PRO A 402 0.465 21.440 1.352 1.00 42.34 H new ATOM 0 HG2 PRO A 402 -0.125 19.482 -0.879 1.00 44.02 H new ATOM 0 HG3 PRO A 402 1.413 20.205 -0.449 1.00 44.02 H new ATOM 0 HD2 PRO A 402 0.625 17.703 0.483 1.00 3.33 H new ATOM 0 HD3 PRO A 402 1.748 18.722 1.363 1.00 3.33 H new ATOM 131 N GLU A 403 -3.408 20.415 0.715 1.00 20.12 N ATOM 132 CA GLU A 403 -4.516 20.228 -0.214 1.00 32.15 C ATOM 133 C GLU A 403 -3.929 20.010 -1.637 1.00 74.22 C ATOM 134 O GLU A 403 -3.226 20.868 -2.187 1.00 3.20 O ATOM 135 CB GLU A 403 -5.488 21.462 -0.071 1.00 34.02 C ATOM 136 CG GLU A 403 -5.264 22.708 -0.962 1.00 65.24 C ATOM 137 CD GLU A 403 -6.358 22.869 -2.002 1.00 60.10 C ATOM 138 OE1 GLU A 403 -7.454 23.349 -1.633 1.00 64.35 O ATOM 139 OE2 GLU A 403 -6.120 22.522 -3.180 1.00 44.43 O ATOM 0 H GLU A 403 -3.451 21.292 1.234 1.00 20.12 H new ATOM 0 HA GLU A 403 -5.115 19.343 0.001 1.00 32.15 H new ATOM 0 HB2 GLU A 403 -6.501 21.105 -0.256 1.00 34.02 H new ATOM 0 HB3 GLU A 403 -5.450 21.791 0.968 1.00 34.02 H new ATOM 0 HG2 GLU A 403 -5.226 23.599 -0.336 1.00 65.24 H new ATOM 0 HG3 GLU A 403 -4.298 22.628 -1.461 1.00 65.24 H new ATOM 146 N GLY A 404 -4.094 18.801 -2.161 1.00 0.01 N ATOM 147 CA GLY A 404 -3.600 18.510 -3.477 1.00 45.32 C ATOM 148 C GLY A 404 -3.168 17.055 -3.710 1.00 34.35 C ATOM 149 O GLY A 404 -3.826 16.341 -4.463 1.00 41.35 O ATOM 0 H GLY A 404 -4.561 18.024 -1.693 1.00 0.01 H new ATOM 0 HA2 GLY A 404 -4.374 18.762 -4.202 1.00 45.32 H new ATOM 0 HA3 GLY A 404 -2.750 19.161 -3.680 1.00 45.32 H new ATOM 153 N ALA A 405 -2.076 16.595 -3.044 1.00 14.53 N ATOM 154 CA ALA A 405 -1.435 15.325 -3.428 1.00 41.45 C ATOM 155 C ALA A 405 -1.963 14.113 -2.595 1.00 72.01 C ATOM 156 O ALA A 405 -1.681 14.020 -1.395 1.00 11.15 O ATOM 157 CB ALA A 405 0.027 15.477 -3.074 1.00 1.42 C ATOM 0 H ALA A 405 -1.636 17.076 -2.259 1.00 14.53 H new ATOM 0 HA ALA A 405 -1.634 15.133 -4.482 1.00 41.45 H new ATOM 0 HB1 ALA A 405 0.562 14.564 -3.335 1.00 1.42 H new ATOM 0 HB2 ALA A 405 0.450 16.316 -3.627 1.00 1.42 H new ATOM 0 HB3 ALA A 405 0.125 15.661 -2.004 1.00 1.42 H new ATOM 163 N ASN A 406 -2.690 13.175 -3.242 1.00 53.22 N ATOM 164 CA ASN A 406 -3.064 11.814 -2.666 1.00 15.44 C ATOM 165 C ASN A 406 -3.428 10.820 -3.829 1.00 63.24 C ATOM 166 O ASN A 406 -4.434 11.002 -4.523 1.00 35.01 O ATOM 167 CB ASN A 406 -4.224 12.044 -1.616 1.00 63.32 C ATOM 168 CG ASN A 406 -5.111 13.207 -2.001 1.00 70.22 C ATOM 169 OD1 ASN A 406 -5.679 13.248 -3.101 1.00 33.33 O ATOM 170 ND2 ASN A 406 -5.188 14.199 -1.121 1.00 35.12 N ATOM 0 H ASN A 406 -3.048 13.318 -4.186 1.00 53.22 H new ATOM 0 HA ASN A 406 -2.232 11.344 -2.142 1.00 15.44 H new ATOM 0 HB2 ASN A 406 -4.826 11.139 -1.536 1.00 63.32 H new ATOM 0 HB3 ASN A 406 -3.792 12.227 -0.632 1.00 63.32 H new ATOM 0 HD21 ASN A 406 -5.730 15.035 -1.340 1.00 35.12 H new ATOM 0 HD22 ASN A 406 -4.705 14.125 -0.226 1.00 35.12 H new ATOM 177 N LEU A 407 -2.600 9.773 -4.073 1.00 12.00 N ATOM 178 CA LEU A 407 -2.849 8.811 -5.162 1.00 52.22 C ATOM 179 C LEU A 407 -3.107 7.351 -4.601 1.00 34.54 C ATOM 180 O LEU A 407 -2.177 6.781 -4.015 1.00 43.03 O ATOM 181 CB LEU A 407 -1.537 8.816 -5.996 1.00 15.14 C ATOM 182 CG LEU A 407 -1.228 10.023 -6.907 1.00 42.35 C ATOM 183 CD1 LEU A 407 -2.483 10.646 -7.517 1.00 40.24 C ATOM 184 CD2 LEU A 407 -0.409 11.064 -6.165 1.00 33.52 C ATOM 0 H LEU A 407 -1.759 9.579 -3.529 1.00 12.00 H new ATOM 0 HA LEU A 407 -3.732 9.086 -5.739 1.00 52.22 H new ATOM 0 HB2 LEU A 407 -0.705 8.709 -5.300 1.00 15.14 H new ATOM 0 HB3 LEU A 407 -1.544 7.925 -6.623 1.00 15.14 H new ATOM 0 HG LEU A 407 -0.637 9.642 -7.740 1.00 42.35 H new ATOM 0 HD11 LEU A 407 -2.201 11.490 -8.147 1.00 40.24 H new ATOM 0 HD12 LEU A 407 -3.003 9.901 -8.119 1.00 40.24 H new ATOM 0 HD13 LEU A 407 -3.141 10.992 -6.720 1.00 40.24 H new ATOM 0 HD21 LEU A 407 -0.204 11.905 -6.827 1.00 33.52 H new ATOM 0 HD22 LEU A 407 -0.966 11.414 -5.296 1.00 33.52 H new ATOM 0 HD23 LEU A 407 0.532 10.621 -5.838 1.00 33.52 H new ATOM 196 N PHE A 408 -4.325 6.711 -4.752 1.00 33.31 N ATOM 197 CA PHE A 408 -4.496 5.291 -4.258 1.00 74.34 C ATOM 198 C PHE A 408 -4.645 4.275 -5.433 1.00 3.54 C ATOM 199 O PHE A 408 -4.949 4.665 -6.557 1.00 71.11 O ATOM 200 CB PHE A 408 -5.618 5.076 -3.174 1.00 0.24 C ATOM 201 CG PHE A 408 -5.539 5.962 -1.933 1.00 52.51 C ATOM 202 CD1 PHE A 408 -4.325 6.247 -1.304 1.00 64.43 C ATOM 203 CD2 PHE A 408 -6.699 6.493 -1.388 1.00 33.34 C ATOM 204 CE1 PHE A 408 -4.264 7.050 -0.172 1.00 31.25 C ATOM 205 CE2 PHE A 408 -6.649 7.288 -0.254 1.00 2.12 C ATOM 206 CZ PHE A 408 -5.436 7.568 0.348 1.00 11.03 C ATOM 0 H PHE A 408 -5.152 7.125 -5.183 1.00 33.31 H new ATOM 0 HA PHE A 408 -3.563 5.088 -3.733 1.00 74.34 H new ATOM 0 HB2 PHE A 408 -6.586 5.236 -3.648 1.00 0.24 H new ATOM 0 HB3 PHE A 408 -5.589 4.035 -2.853 1.00 0.24 H new ATOM 0 HD1 PHE A 408 -3.412 5.833 -1.707 1.00 64.43 H new ATOM 0 HD2 PHE A 408 -7.651 6.285 -1.853 1.00 33.34 H new ATOM 0 HE1 PHE A 408 -3.315 7.267 0.295 1.00 31.25 H new ATOM 0 HE2 PHE A 408 -7.561 7.691 0.161 1.00 2.12 H new ATOM 0 HZ PHE A 408 -5.404 8.194 1.228 1.00 11.03 H new ATOM 216 N ILE A 409 -4.393 2.963 -5.160 1.00 51.04 N ATOM 217 CA ILE A 409 -4.116 1.938 -6.259 1.00 71.42 C ATOM 218 C ILE A 409 -5.233 0.820 -6.208 1.00 33.14 C ATOM 219 O ILE A 409 -5.321 0.122 -5.191 1.00 61.10 O ATOM 220 CB ILE A 409 -2.647 1.225 -6.236 1.00 32.43 C ATOM 221 CG1 ILE A 409 -1.430 2.175 -6.515 1.00 31.05 C ATOM 222 CG2 ILE A 409 -2.520 0.084 -7.292 1.00 43.12 C ATOM 223 CD1 ILE A 409 -1.330 3.500 -5.802 1.00 74.15 C ATOM 0 H ILE A 409 -4.372 2.577 -4.216 1.00 51.04 H new ATOM 0 HA ILE A 409 -4.130 2.511 -7.186 1.00 71.42 H new ATOM 0 HB ILE A 409 -2.597 0.858 -5.211 1.00 32.43 H new ATOM 0 HG12 ILE A 409 -0.523 1.615 -6.288 1.00 31.05 H new ATOM 0 HG13 ILE A 409 -1.418 2.381 -7.585 1.00 31.05 H new ATOM 0 HG21 ILE A 409 -1.524 -0.356 -7.234 1.00 43.12 H new ATOM 0 HG22 ILE A 409 -3.268 -0.683 -7.091 1.00 43.12 H new ATOM 0 HG23 ILE A 409 -2.679 0.493 -8.290 1.00 43.12 H new ATOM 0 HD11 ILE A 409 -0.425 4.017 -6.121 1.00 74.15 H new ATOM 0 HD12 ILE A 409 -2.201 4.110 -6.043 1.00 74.15 H new ATOM 0 HD13 ILE A 409 -1.292 3.332 -4.726 1.00 74.15 H new ATOM 235 N TYR A 410 -6.099 0.637 -7.269 1.00 52.15 N ATOM 236 CA TYR A 410 -6.978 -0.563 -7.361 1.00 13.23 C ATOM 237 C TYR A 410 -6.229 -1.592 -8.228 1.00 1.14 C ATOM 238 O TYR A 410 -5.504 -1.177 -9.145 1.00 11.33 O ATOM 239 CB TYR A 410 -8.374 -0.240 -8.059 1.00 45.33 C ATOM 240 CG TYR A 410 -9.535 0.436 -7.310 1.00 62.00 C ATOM 241 CD1 TYR A 410 -9.408 1.219 -6.163 1.00 50.41 C ATOM 242 CD2 TYR A 410 -10.822 0.262 -7.823 1.00 43.35 C ATOM 243 CE1 TYR A 410 -10.518 1.782 -5.575 1.00 64.33 C ATOM 244 CE2 TYR A 410 -11.917 0.829 -7.231 1.00 2.44 C ATOM 245 CZ TYR A 410 -11.765 1.588 -6.106 1.00 3.45 C ATOM 246 OH TYR A 410 -12.863 2.160 -5.503 1.00 52.42 O ATOM 0 H TYR A 410 -6.197 1.292 -8.045 1.00 52.15 H new ATOM 0 HA TYR A 410 -7.192 -0.926 -6.356 1.00 13.23 H new ATOM 0 HB2 TYR A 410 -8.153 0.387 -8.923 1.00 45.33 H new ATOM 0 HB3 TYR A 410 -8.758 -1.186 -8.441 1.00 45.33 H new ATOM 0 HD1 TYR A 410 -8.431 1.385 -5.733 1.00 50.41 H new ATOM 0 HD2 TYR A 410 -10.957 -0.337 -8.712 1.00 43.35 H new ATOM 0 HE1 TYR A 410 -10.404 2.383 -4.685 1.00 64.33 H new ATOM 0 HE2 TYR A 410 -12.900 0.677 -7.652 1.00 2.44 H new ATOM 0 HH TYR A 410 -13.671 1.926 -6.005 1.00 52.42 H new ATOM 256 N HIS A 411 -6.376 -2.934 -7.919 1.00 73.23 N ATOM 257 CA HIS A 411 -5.704 -4.023 -8.706 1.00 35.52 C ATOM 258 C HIS A 411 -4.156 -4.079 -8.523 1.00 65.44 C ATOM 259 O HIS A 411 -3.417 -3.703 -9.437 1.00 64.32 O ATOM 260 CB HIS A 411 -6.031 -3.922 -10.196 1.00 3.35 C ATOM 261 CG HIS A 411 -7.479 -4.016 -10.583 1.00 64.13 C ATOM 262 ND1 HIS A 411 -8.509 -4.376 -9.736 1.00 23.31 N ATOM 263 CD2 HIS A 411 -8.062 -3.699 -11.753 1.00 23.34 C ATOM 264 CE1 HIS A 411 -9.658 -4.271 -10.379 1.00 14.32 C ATOM 265 NE2 HIS A 411 -9.414 -3.862 -11.610 1.00 70.51 N ATOM 0 H HIS A 411 -6.945 -3.274 -7.144 1.00 73.23 H new ATOM 0 HA HIS A 411 -6.110 -4.948 -8.297 1.00 35.52 H new ATOM 0 HB2 HIS A 411 -5.643 -2.973 -10.565 1.00 3.35 H new ATOM 0 HB3 HIS A 411 -5.489 -4.712 -10.716 1.00 3.35 H new ATOM 0 HD2 HIS A 411 -7.553 -3.373 -12.648 1.00 23.34 H new ATOM 0 HE1 HIS A 411 -10.633 -4.484 -9.967 1.00 14.32 H new ATOM 0 HE2 HIS A 411 -10.114 -3.695 -12.333 1.00 70.51 H new ATOM 274 N LEU A 412 -3.665 -4.486 -7.342 1.00 43.41 N ATOM 275 CA LEU A 412 -2.221 -4.485 -7.064 1.00 72.11 C ATOM 276 C LEU A 412 -1.573 -5.789 -7.614 1.00 32.41 C ATOM 277 O LEU A 412 -2.000 -6.882 -7.217 1.00 1.32 O ATOM 278 CB LEU A 412 -1.940 -4.245 -5.527 1.00 14.13 C ATOM 279 CG LEU A 412 -0.553 -4.683 -4.955 1.00 13.43 C ATOM 280 CD1 LEU A 412 0.064 -3.612 -4.058 1.00 5.34 C ATOM 281 CD2 LEU A 412 -0.612 -5.993 -4.142 1.00 1.31 C ATOM 0 H LEU A 412 -4.242 -4.818 -6.569 1.00 43.41 H new ATOM 0 HA LEU A 412 -1.750 -3.652 -7.586 1.00 72.11 H new ATOM 0 HB2 LEU A 412 -2.061 -3.180 -5.328 1.00 14.13 H new ATOM 0 HB3 LEU A 412 -2.713 -4.765 -4.961 1.00 14.13 H new ATOM 0 HG LEU A 412 0.064 -4.840 -5.840 1.00 13.43 H new ATOM 0 HD11 LEU A 412 1.026 -3.961 -3.684 1.00 5.34 H new ATOM 0 HD12 LEU A 412 0.208 -2.696 -4.631 1.00 5.34 H new ATOM 0 HD13 LEU A 412 -0.601 -3.413 -3.218 1.00 5.34 H new ATOM 0 HD21 LEU A 412 0.384 -6.238 -3.775 1.00 1.31 H new ATOM 0 HD22 LEU A 412 -1.289 -5.867 -3.297 1.00 1.31 H new ATOM 0 HD23 LEU A 412 -0.973 -6.801 -4.779 1.00 1.31 H new ATOM 293 N PRO A 413 -0.586 -5.718 -8.593 1.00 70.03 N ATOM 294 CA PRO A 413 0.122 -6.911 -9.110 1.00 52.25 C ATOM 295 C PRO A 413 1.005 -7.707 -8.089 1.00 63.51 C ATOM 296 O PRO A 413 1.118 -7.353 -6.914 1.00 20.25 O ATOM 297 CB PRO A 413 0.860 -6.447 -10.345 1.00 72.14 C ATOM 298 CG PRO A 413 1.005 -4.991 -10.228 1.00 42.31 C ATOM 299 CD PRO A 413 -0.114 -4.489 -9.347 1.00 73.11 C ATOM 0 HA PRO A 413 -0.610 -7.683 -9.345 1.00 52.25 H new ATOM 0 HB2 PRO A 413 1.835 -6.928 -10.417 1.00 72.14 H new ATOM 0 HB3 PRO A 413 0.308 -6.710 -11.247 1.00 72.14 H new ATOM 0 HG2 PRO A 413 1.974 -4.736 -9.799 1.00 42.31 H new ATOM 0 HG3 PRO A 413 0.958 -4.522 -11.211 1.00 42.31 H new ATOM 0 HD2 PRO A 413 0.236 -3.715 -8.664 1.00 73.11 H new ATOM 0 HD3 PRO A 413 -0.919 -4.053 -9.938 1.00 73.11 H new ATOM 307 N GLN A 414 1.653 -8.773 -8.617 1.00 13.54 N ATOM 308 CA GLN A 414 1.931 -10.093 -8.010 1.00 71.11 C ATOM 309 C GLN A 414 2.120 -10.281 -6.446 1.00 32.51 C ATOM 310 O GLN A 414 1.250 -10.933 -5.864 1.00 55.22 O ATOM 311 CB GLN A 414 3.267 -10.479 -8.730 1.00 23.34 C ATOM 312 CG GLN A 414 4.233 -9.284 -9.082 1.00 42.13 C ATOM 313 CD GLN A 414 5.421 -9.115 -8.140 1.00 30.22 C ATOM 314 OE1 GLN A 414 5.934 -10.079 -7.601 1.00 44.43 O ATOM 315 NE2 GLN A 414 5.872 -7.877 -7.952 1.00 44.21 N ATOM 0 H GLN A 414 2.028 -8.724 -9.564 1.00 13.54 H new ATOM 0 HA GLN A 414 1.033 -10.697 -8.142 1.00 71.11 H new ATOM 0 HB2 GLN A 414 3.808 -11.183 -8.097 1.00 23.34 H new ATOM 0 HB3 GLN A 414 3.021 -11.005 -9.653 1.00 23.34 H new ATOM 0 HG2 GLN A 414 4.609 -9.427 -10.095 1.00 42.13 H new ATOM 0 HG3 GLN A 414 3.656 -8.359 -9.084 1.00 42.13 H new ATOM 0 HE21 GLN A 414 5.418 -7.092 -8.420 1.00 44.21 H new ATOM 0 HE22 GLN A 414 6.672 -7.713 -7.340 1.00 44.21 H new ATOM 324 N GLU A 415 3.163 -9.798 -5.739 1.00 32.01 N ATOM 325 CA GLU A 415 3.095 -9.699 -4.243 1.00 73.40 C ATOM 326 C GLU A 415 3.283 -8.262 -3.700 1.00 71.55 C ATOM 327 O GLU A 415 3.414 -8.104 -2.474 1.00 5.15 O ATOM 328 CB GLU A 415 3.985 -10.774 -3.507 1.00 53.34 C ATOM 329 CG GLU A 415 5.393 -10.361 -3.039 1.00 30.43 C ATOM 330 CD GLU A 415 6.504 -10.505 -4.073 1.00 51.23 C ATOM 331 OE1 GLU A 415 6.311 -11.238 -5.058 1.00 23.41 O ATOM 332 OE2 GLU A 415 7.591 -9.920 -3.865 1.00 71.41 O ATOM 0 H GLU A 415 4.039 -9.477 -6.150 1.00 32.01 H new ATOM 0 HA GLU A 415 2.066 -9.954 -3.990 1.00 73.40 H new ATOM 0 HB2 GLU A 415 3.433 -11.121 -2.633 1.00 53.34 H new ATOM 0 HB3 GLU A 415 4.094 -11.629 -4.175 1.00 53.34 H new ATOM 0 HG2 GLU A 415 5.357 -9.321 -2.714 1.00 30.43 H new ATOM 0 HG3 GLU A 415 5.655 -10.959 -2.166 1.00 30.43 H new ATOM 339 N PHE A 416 3.072 -7.227 -4.561 1.00 55.51 N ATOM 340 CA PHE A 416 3.836 -5.924 -4.471 1.00 75.53 C ATOM 341 C PHE A 416 3.741 -5.320 -3.015 1.00 2.25 C ATOM 342 O PHE A 416 2.705 -4.772 -2.636 1.00 0.44 O ATOM 343 CB PHE A 416 3.260 -4.846 -5.465 1.00 71.21 C ATOM 344 CG PHE A 416 4.037 -4.301 -6.629 1.00 64.13 C ATOM 345 CD1 PHE A 416 5.096 -4.928 -7.281 1.00 64.31 C ATOM 346 CD2 PHE A 416 3.612 -3.059 -7.093 1.00 42.24 C ATOM 347 CE1 PHE A 416 5.695 -4.326 -8.372 1.00 73.01 C ATOM 348 CE2 PHE A 416 4.214 -2.448 -8.160 1.00 60.20 C ATOM 349 CZ PHE A 416 5.255 -3.079 -8.815 1.00 15.32 C ATOM 0 H PHE A 416 2.391 -7.256 -5.320 1.00 55.51 H new ATOM 0 HA PHE A 416 4.870 -6.153 -4.728 1.00 75.53 H new ATOM 0 HB2 PHE A 416 2.342 -5.266 -5.877 1.00 71.21 H new ATOM 0 HB3 PHE A 416 2.974 -3.988 -4.857 1.00 71.21 H new ATOM 0 HD1 PHE A 416 5.450 -5.887 -6.933 1.00 64.31 H new ATOM 0 HD2 PHE A 416 2.788 -2.566 -6.599 1.00 42.24 H new ATOM 0 HE1 PHE A 416 6.506 -4.823 -8.883 1.00 73.01 H new ATOM 0 HE2 PHE A 416 3.877 -1.476 -8.489 1.00 60.20 H new ATOM 0 HZ PHE A 416 5.725 -2.609 -9.666 1.00 15.32 H new ATOM 359 N GLY A 417 4.819 -5.452 -2.192 1.00 62.33 N ATOM 360 CA GLY A 417 4.780 -5.031 -0.789 1.00 10.22 C ATOM 361 C GLY A 417 5.311 -3.606 -0.554 1.00 50.24 C ATOM 362 O GLY A 417 5.573 -2.878 -1.518 1.00 4.11 O ATOM 0 H GLY A 417 5.713 -5.845 -2.487 1.00 62.33 H new ATOM 0 HA2 GLY A 417 3.752 -5.090 -0.430 1.00 10.22 H new ATOM 0 HA3 GLY A 417 5.366 -5.730 -0.193 1.00 10.22 H new ATOM 366 N ASP A 418 5.497 -3.232 0.741 1.00 52.34 N ATOM 367 CA ASP A 418 6.005 -1.912 1.163 1.00 10.02 C ATOM 368 C ASP A 418 7.356 -1.515 0.550 1.00 53.10 C ATOM 369 O ASP A 418 7.570 -0.330 0.242 1.00 34.23 O ATOM 370 CB ASP A 418 6.125 -1.840 2.704 1.00 0.41 C ATOM 371 CG ASP A 418 4.817 -1.574 3.420 1.00 32.33 C ATOM 372 OD1 ASP A 418 3.871 -2.385 3.273 1.00 62.14 O ATOM 373 OD2 ASP A 418 4.753 -0.588 4.171 1.00 64.31 O ATOM 0 H ASP A 418 5.294 -3.852 1.525 1.00 52.34 H new ATOM 0 HA ASP A 418 5.267 -1.203 0.789 1.00 10.02 H new ATOM 0 HB2 ASP A 418 6.541 -2.779 3.069 1.00 0.41 H new ATOM 0 HB3 ASP A 418 6.835 -1.055 2.965 1.00 0.41 H new ATOM 378 N GLN A 419 8.280 -2.482 0.424 1.00 23.42 N ATOM 379 CA GLN A 419 9.623 -2.224 -0.124 1.00 22.00 C ATOM 380 C GLN A 419 9.598 -1.804 -1.605 1.00 74.35 C ATOM 381 O GLN A 419 10.295 -0.839 -1.946 1.00 64.34 O ATOM 382 CB GLN A 419 10.596 -3.418 0.094 1.00 44.20 C ATOM 383 CG GLN A 419 10.310 -4.651 -0.793 1.00 30.33 C ATOM 384 CD GLN A 419 11.471 -5.017 -1.710 1.00 33.44 C ATOM 385 OE1 GLN A 419 11.658 -6.184 -2.033 1.00 32.43 O ATOM 386 NE2 GLN A 419 12.250 -4.028 -2.164 1.00 54.44 N ATOM 0 H GLN A 419 8.121 -3.452 0.695 1.00 23.42 H new ATOM 0 HA GLN A 419 10.005 -1.377 0.445 1.00 22.00 H new ATOM 0 HB2 GLN A 419 11.614 -3.079 -0.095 1.00 44.20 H new ATOM 0 HB3 GLN A 419 10.550 -3.721 1.140 1.00 44.20 H new ATOM 0 HG2 GLN A 419 10.078 -5.503 -0.154 1.00 30.33 H new ATOM 0 HG3 GLN A 419 9.425 -4.457 -1.399 1.00 30.33 H new ATOM 0 HE21 GLN A 419 12.071 -3.065 -1.878 1.00 54.44 H new ATOM 0 HE22 GLN A 419 13.023 -4.237 -2.796 1.00 54.44 H new ATOM 395 N ASP A 420 8.804 -2.494 -2.475 1.00 42.10 N ATOM 396 CA ASP A 420 8.780 -2.139 -3.906 1.00 23.14 C ATOM 397 C ASP A 420 8.233 -0.720 -4.111 1.00 14.54 C ATOM 398 O ASP A 420 8.826 0.041 -4.873 1.00 31.12 O ATOM 399 CB ASP A 420 8.017 -3.150 -4.810 1.00 3.52 C ATOM 400 CG ASP A 420 6.871 -2.523 -5.533 1.00 22.11 C ATOM 401 OD1 ASP A 420 7.094 -1.991 -6.640 1.00 45.31 O ATOM 402 OD2 ASP A 420 5.774 -2.493 -4.947 1.00 71.03 O ATOM 0 H ASP A 420 8.196 -3.270 -2.213 1.00 42.10 H new ATOM 0 HA ASP A 420 9.821 -2.182 -4.227 1.00 23.14 H new ATOM 0 HB2 ASP A 420 8.709 -3.577 -5.535 1.00 3.52 H new ATOM 0 HB3 ASP A 420 7.649 -3.973 -4.198 1.00 3.52 H new ATOM 407 N ILE A 421 7.088 -0.408 -3.432 1.00 62.14 N ATOM 408 CA ILE A 421 6.358 0.854 -3.608 1.00 51.42 C ATOM 409 C ILE A 421 7.239 2.107 -3.300 1.00 4.12 C ATOM 410 O ILE A 421 6.918 3.220 -3.731 1.00 53.35 O ATOM 411 CB ILE A 421 4.979 0.855 -2.751 1.00 35.42 C ATOM 412 CG1 ILE A 421 3.701 0.847 -3.663 1.00 20.41 C ATOM 413 CG2 ILE A 421 4.899 1.955 -1.680 1.00 60.35 C ATOM 414 CD1 ILE A 421 2.398 1.384 -3.062 1.00 41.03 C ATOM 0 H ILE A 421 6.658 -1.035 -2.751 1.00 62.14 H new ATOM 0 HA ILE A 421 6.094 0.925 -4.663 1.00 51.42 H new ATOM 0 HB ILE A 421 5.001 -0.087 -2.204 1.00 35.42 H new ATOM 0 HG12 ILE A 421 3.923 1.428 -4.558 1.00 20.41 H new ATOM 0 HG13 ILE A 421 3.525 -0.179 -3.985 1.00 20.41 H new ATOM 0 HG21 ILE A 421 3.946 1.883 -1.155 1.00 60.35 H new ATOM 0 HG22 ILE A 421 5.715 1.830 -0.969 1.00 60.35 H new ATOM 0 HG23 ILE A 421 4.978 2.932 -2.156 1.00 60.35 H new ATOM 0 HD11 ILE A 421 1.601 1.318 -3.803 1.00 41.03 H new ATOM 0 HD12 ILE A 421 2.130 0.792 -2.187 1.00 41.03 H new ATOM 0 HD13 ILE A 421 2.535 2.425 -2.768 1.00 41.03 H new ATOM 426 N LEU A 422 8.370 1.903 -2.602 1.00 1.13 N ATOM 427 CA LEU A 422 9.160 2.984 -2.137 1.00 2.30 C ATOM 428 C LEU A 422 10.171 3.362 -3.242 1.00 62.24 C ATOM 429 O LEU A 422 10.474 4.527 -3.446 1.00 65.22 O ATOM 430 CB LEU A 422 9.831 2.663 -0.744 1.00 13.24 C ATOM 431 CG LEU A 422 10.777 3.756 -0.148 1.00 65.15 C ATOM 432 CD1 LEU A 422 10.077 5.112 0.122 1.00 10.54 C ATOM 433 CD2 LEU A 422 11.408 3.337 1.177 1.00 25.23 C ATOM 0 H LEU A 422 8.733 0.981 -2.362 1.00 1.13 H new ATOM 0 HA LEU A 422 8.531 3.853 -1.943 1.00 2.30 H new ATOM 0 HB2 LEU A 422 9.038 2.470 -0.022 1.00 13.24 H new ATOM 0 HB3 LEU A 422 10.401 1.740 -0.846 1.00 13.24 H new ATOM 0 HG LEU A 422 11.533 3.872 -0.925 1.00 65.15 H new ATOM 0 HD11 LEU A 422 10.798 5.818 0.534 1.00 10.54 H new ATOM 0 HD12 LEU A 422 9.676 5.507 -0.812 1.00 10.54 H new ATOM 0 HD13 LEU A 422 9.264 4.966 0.833 1.00 10.54 H new ATOM 0 HD21 LEU A 422 12.054 4.136 1.541 1.00 25.23 H new ATOM 0 HD22 LEU A 422 10.623 3.143 1.908 1.00 25.23 H new ATOM 0 HD23 LEU A 422 11.998 2.433 1.029 1.00 25.23 H new ATOM 445 N GLN A 423 10.639 2.329 -3.966 1.00 1.53 N ATOM 446 CA GLN A 423 11.600 2.485 -5.107 1.00 71.34 C ATOM 447 C GLN A 423 10.924 2.713 -6.476 1.00 3.21 C ATOM 448 O GLN A 423 11.266 3.662 -7.174 1.00 24.22 O ATOM 449 CB GLN A 423 12.528 1.242 -5.279 1.00 5.32 C ATOM 450 CG GLN A 423 13.461 0.869 -4.120 1.00 35.33 C ATOM 451 CD GLN A 423 13.468 -0.639 -3.778 1.00 15.41 C ATOM 452 OE1 GLN A 423 14.483 -1.139 -3.296 1.00 24.50 O ATOM 453 NE2 GLN A 423 12.388 -1.422 -4.053 1.00 61.34 N ATOM 0 H GLN A 423 10.372 1.361 -3.789 1.00 1.53 H new ATOM 0 HA GLN A 423 12.170 3.371 -4.829 1.00 71.34 H new ATOM 0 HB2 GLN A 423 11.895 0.380 -5.487 1.00 5.32 H new ATOM 0 HB3 GLN A 423 13.144 1.406 -6.163 1.00 5.32 H new ATOM 0 HG2 GLN A 423 14.476 1.179 -4.370 1.00 35.33 H new ATOM 0 HG3 GLN A 423 13.165 1.431 -3.234 1.00 35.33 H new ATOM 0 HE21 GLN A 423 11.546 -1.007 -4.453 1.00 61.34 H new ATOM 0 HE22 GLN A 423 12.421 -2.423 -3.859 1.00 61.34 H new ATOM 462 N MET A 424 10.042 1.786 -6.911 1.00 74.05 N ATOM 463 CA MET A 424 9.376 1.892 -8.264 1.00 10.25 C ATOM 464 C MET A 424 8.464 3.168 -8.381 1.00 62.42 C ATOM 465 O MET A 424 8.185 3.622 -9.494 1.00 65.55 O ATOM 466 CB MET A 424 8.601 0.548 -8.675 1.00 23.14 C ATOM 467 CG MET A 424 8.175 0.353 -10.180 1.00 33.54 C ATOM 468 SD MET A 424 9.584 0.416 -11.304 1.00 22.13 S ATOM 469 CE MET A 424 9.374 2.025 -12.067 1.00 64.02 C ATOM 0 H MET A 424 9.767 0.966 -6.371 1.00 74.05 H new ATOM 0 HA MET A 424 10.178 2.016 -8.992 1.00 10.25 H new ATOM 0 HB2 MET A 424 9.232 -0.296 -8.398 1.00 23.14 H new ATOM 0 HB3 MET A 424 7.700 0.486 -8.065 1.00 23.14 H new ATOM 0 HG2 MET A 424 7.668 -0.605 -10.290 1.00 33.54 H new ATOM 0 HG3 MET A 424 7.458 1.127 -10.456 1.00 33.54 H new ATOM 0 HE1 MET A 424 9.973 2.077 -12.976 1.00 64.02 H new ATOM 0 HE2 MET A 424 8.323 2.176 -12.315 1.00 64.02 H new ATOM 0 HE3 MET A 424 9.698 2.801 -11.374 1.00 64.02 H new ATOM 479 N PHE A 425 8.046 3.788 -7.250 1.00 12.35 N ATOM 480 CA PHE A 425 7.220 5.000 -7.300 1.00 63.22 C ATOM 481 C PHE A 425 8.074 6.252 -6.927 1.00 11.51 C ATOM 482 O PHE A 425 7.556 7.359 -6.890 1.00 40.32 O ATOM 483 CB PHE A 425 5.951 4.744 -6.445 1.00 62.14 C ATOM 484 CG PHE A 425 4.616 4.614 -7.183 1.00 61.23 C ATOM 485 CD1 PHE A 425 4.302 3.408 -7.819 1.00 3.34 C ATOM 486 CD2 PHE A 425 3.637 5.640 -7.214 1.00 15.25 C ATOM 487 CE1 PHE A 425 3.094 3.219 -8.445 1.00 64.34 C ATOM 488 CE2 PHE A 425 2.445 5.433 -7.852 1.00 74.20 C ATOM 489 CZ PHE A 425 2.164 4.229 -8.459 1.00 14.51 C ATOM 0 H PHE A 425 8.268 3.467 -6.308 1.00 12.35 H new ATOM 0 HA PHE A 425 6.864 5.230 -8.304 1.00 63.22 H new ATOM 0 HB2 PHE A 425 6.110 3.830 -5.873 1.00 62.14 H new ATOM 0 HB3 PHE A 425 5.860 5.558 -5.726 1.00 62.14 H new ATOM 0 HD1 PHE A 425 5.026 2.607 -7.818 1.00 3.34 H new ATOM 0 HD2 PHE A 425 3.833 6.587 -6.733 1.00 15.25 H new ATOM 0 HE1 PHE A 425 2.876 2.277 -8.926 1.00 64.34 H new ATOM 0 HE2 PHE A 425 1.713 6.226 -7.880 1.00 74.20 H new ATOM 0 HZ PHE A 425 1.212 4.079 -8.946 1.00 14.51 H new ATOM 499 N MET A 426 9.394 6.046 -6.634 1.00 32.53 N ATOM 500 CA MET A 426 10.369 7.112 -6.311 1.00 35.42 C ATOM 501 C MET A 426 10.758 8.105 -7.469 1.00 52.25 C ATOM 502 O MET A 426 10.960 9.269 -7.161 1.00 22.14 O ATOM 503 CB MET A 426 11.709 6.489 -5.869 1.00 4.01 C ATOM 504 CG MET A 426 12.256 7.104 -4.598 1.00 43.21 C ATOM 505 SD MET A 426 13.912 6.529 -4.176 1.00 35.23 S ATOM 506 CE MET A 426 14.186 7.466 -2.676 1.00 4.45 C ATOM 0 H MET A 426 9.808 5.114 -6.618 1.00 32.53 H new ATOM 0 HA MET A 426 9.843 7.680 -5.543 1.00 35.42 H new ATOM 0 HB2 MET A 426 11.574 5.418 -5.719 1.00 4.01 H new ATOM 0 HB3 MET A 426 12.440 6.609 -6.668 1.00 4.01 H new ATOM 0 HG2 MET A 426 12.273 8.188 -4.707 1.00 43.21 H new ATOM 0 HG3 MET A 426 11.580 6.877 -3.774 1.00 43.21 H new ATOM 0 HE1 MET A 426 15.172 7.231 -2.275 1.00 4.45 H new ATOM 0 HE2 MET A 426 14.128 8.532 -2.897 1.00 4.45 H new ATOM 0 HE3 MET A 426 13.425 7.206 -1.941 1.00 4.45 H new ATOM 516 N PRO A 427 10.951 7.681 -8.796 1.00 73.12 N ATOM 517 CA PRO A 427 11.772 8.457 -9.816 1.00 10.03 C ATOM 518 C PRO A 427 11.368 9.946 -10.191 1.00 3.04 C ATOM 519 O PRO A 427 12.065 10.550 -11.005 1.00 64.41 O ATOM 520 CB PRO A 427 11.697 7.507 -11.045 1.00 12.33 C ATOM 521 CG PRO A 427 10.376 6.858 -10.887 1.00 14.31 C ATOM 522 CD PRO A 427 10.421 6.444 -9.454 1.00 41.14 C ATOM 0 HA PRO A 427 12.756 8.671 -9.400 1.00 10.03 H new ATOM 0 HB2 PRO A 427 11.767 8.056 -11.984 1.00 12.33 H new ATOM 0 HB3 PRO A 427 12.507 6.778 -11.041 1.00 12.33 H new ATOM 0 HG2 PRO A 427 9.554 7.544 -11.091 1.00 14.31 H new ATOM 0 HG3 PRO A 427 10.254 6.007 -11.557 1.00 14.31 H new ATOM 0 HD2 PRO A 427 9.436 6.170 -9.076 1.00 41.14 H new ATOM 0 HD3 PRO A 427 11.073 5.585 -9.297 1.00 41.14 H new ATOM 530 N PHE A 428 10.271 10.525 -9.635 1.00 54.31 N ATOM 531 CA PHE A 428 9.987 11.993 -9.769 1.00 2.44 C ATOM 532 C PHE A 428 9.942 12.783 -8.398 1.00 20.02 C ATOM 533 O PHE A 428 9.411 13.896 -8.386 1.00 15.45 O ATOM 534 CB PHE A 428 8.673 12.304 -10.582 1.00 74.33 C ATOM 535 CG PHE A 428 8.301 11.381 -11.738 1.00 52.33 C ATOM 536 CD1 PHE A 428 8.816 11.579 -13.019 1.00 75.54 C ATOM 537 CD2 PHE A 428 7.371 10.359 -11.555 1.00 24.13 C ATOM 538 CE1 PHE A 428 8.417 10.775 -14.081 1.00 52.42 C ATOM 539 CE2 PHE A 428 6.979 9.549 -12.612 1.00 13.11 C ATOM 540 CZ PHE A 428 7.502 9.760 -13.873 1.00 5.11 C ATOM 0 H PHE A 428 9.573 10.013 -9.096 1.00 54.31 H new ATOM 0 HA PHE A 428 10.848 12.353 -10.332 1.00 2.44 H new ATOM 0 HB2 PHE A 428 7.840 12.308 -9.879 1.00 74.33 H new ATOM 0 HB3 PHE A 428 8.760 13.315 -10.979 1.00 74.33 H new ATOM 0 HD1 PHE A 428 9.534 12.367 -13.188 1.00 75.54 H new ATOM 0 HD2 PHE A 428 6.948 10.195 -10.575 1.00 24.13 H new ATOM 0 HE1 PHE A 428 8.822 10.943 -15.068 1.00 52.42 H new ATOM 0 HE2 PHE A 428 6.266 8.755 -12.449 1.00 13.11 H new ATOM 0 HZ PHE A 428 7.196 9.132 -14.697 1.00 5.11 H new ATOM 550 N GLY A 429 10.490 12.264 -7.253 1.00 41.14 N ATOM 551 CA GLY A 429 10.707 13.124 -6.072 1.00 43.44 C ATOM 552 C GLY A 429 10.345 12.503 -4.697 1.00 63.52 C ATOM 553 O GLY A 429 10.307 11.276 -4.565 1.00 52.52 O ATOM 0 H GLY A 429 10.775 11.292 -7.137 1.00 41.14 H new ATOM 0 HA2 GLY A 429 11.757 13.417 -6.050 1.00 43.44 H new ATOM 0 HA3 GLY A 429 10.124 14.036 -6.200 1.00 43.44 H new ATOM 557 N ASN A 430 10.073 13.362 -3.665 1.00 74.43 N ATOM 558 CA ASN A 430 10.087 12.924 -2.240 1.00 32.52 C ATOM 559 C ASN A 430 8.686 12.433 -1.733 1.00 74.34 C ATOM 560 O ASN A 430 7.663 13.101 -1.932 1.00 34.24 O ATOM 561 CB ASN A 430 10.680 14.028 -1.299 1.00 14.33 C ATOM 562 CG ASN A 430 9.859 15.313 -1.177 1.00 14.21 C ATOM 563 OD1 ASN A 430 9.251 15.789 -2.137 1.00 62.12 O ATOM 564 ND2 ASN A 430 9.818 15.876 0.029 1.00 54.13 N ATOM 0 H ASN A 430 9.845 14.348 -3.796 1.00 74.43 H new ATOM 0 HA ASN A 430 10.749 12.059 -2.199 1.00 32.52 H new ATOM 0 HB2 ASN A 430 10.802 13.602 -0.303 1.00 14.33 H new ATOM 0 HB3 ASN A 430 11.675 14.288 -1.659 1.00 14.33 H new ATOM 0 HD21 ASN A 430 9.272 16.725 0.177 1.00 54.13 H new ATOM 0 HD22 ASN A 430 10.332 15.458 0.805 1.00 54.13 H new ATOM 571 N VAL A 431 8.660 11.208 -1.148 1.00 23.34 N ATOM 572 CA VAL A 431 7.424 10.479 -0.791 1.00 5.42 C ATOM 573 C VAL A 431 7.278 10.238 0.787 1.00 53.21 C ATOM 574 O VAL A 431 8.252 9.812 1.408 1.00 62.00 O ATOM 575 CB VAL A 431 7.467 9.196 -1.689 1.00 23.14 C ATOM 576 CG1 VAL A 431 8.740 8.385 -1.503 1.00 4.44 C ATOM 577 CG2 VAL A 431 6.257 8.282 -1.589 1.00 42.42 C ATOM 0 H VAL A 431 9.509 10.696 -0.910 1.00 23.34 H new ATOM 0 HA VAL A 431 6.512 11.041 -0.992 1.00 5.42 H new ATOM 0 HB VAL A 431 7.449 9.614 -2.696 1.00 23.14 H new ATOM 0 HG11 VAL A 431 8.711 7.509 -2.151 1.00 4.44 H new ATOM 0 HG12 VAL A 431 9.603 8.999 -1.760 1.00 4.44 H new ATOM 0 HG13 VAL A 431 8.819 8.065 -0.464 1.00 4.44 H new ATOM 0 HG21 VAL A 431 6.392 7.427 -2.251 1.00 42.42 H new ATOM 0 HG22 VAL A 431 6.149 7.933 -0.562 1.00 42.42 H new ATOM 0 HG23 VAL A 431 5.362 8.830 -1.882 1.00 42.42 H new ATOM 587 N ILE A 432 6.087 10.499 1.457 1.00 63.32 N ATOM 588 CA ILE A 432 6.017 10.483 2.963 1.00 53.50 C ATOM 589 C ILE A 432 5.208 9.253 3.565 1.00 53.24 C ATOM 590 O ILE A 432 5.247 9.025 4.781 1.00 3.43 O ATOM 591 CB ILE A 432 5.393 11.804 3.589 1.00 21.22 C ATOM 592 CG1 ILE A 432 5.450 13.027 2.668 1.00 63.10 C ATOM 593 CG2 ILE A 432 6.081 12.207 4.875 1.00 54.31 C ATOM 594 CD1 ILE A 432 4.870 14.314 3.288 1.00 12.23 C ATOM 0 H ILE A 432 5.204 10.713 0.993 1.00 63.32 H new ATOM 0 HA ILE A 432 7.067 10.399 3.241 1.00 53.50 H new ATOM 0 HB ILE A 432 4.352 11.529 3.760 1.00 21.22 H new ATOM 0 HG12 ILE A 432 6.488 13.208 2.387 1.00 63.10 H new ATOM 0 HG13 ILE A 432 4.906 12.802 1.750 1.00 63.10 H new ATOM 0 HG21 ILE A 432 5.620 13.115 5.265 1.00 54.31 H new ATOM 0 HG22 ILE A 432 5.982 11.406 5.607 1.00 54.31 H new ATOM 0 HG23 ILE A 432 7.137 12.391 4.680 1.00 54.31 H new ATOM 0 HD11 ILE A 432 4.949 15.131 2.571 1.00 12.23 H new ATOM 0 HD12 ILE A 432 3.822 14.155 3.543 1.00 12.23 H new ATOM 0 HD13 ILE A 432 5.428 14.567 4.189 1.00 12.23 H new ATOM 606 N SER A 433 4.450 8.506 2.726 1.00 12.11 N ATOM 607 CA SER A 433 3.546 7.388 3.166 1.00 74.33 C ATOM 608 C SER A 433 3.688 6.121 2.249 1.00 11.43 C ATOM 609 O SER A 433 3.572 6.220 1.025 1.00 13.12 O ATOM 610 CB SER A 433 2.057 7.913 3.161 1.00 51.41 C ATOM 611 OG SER A 433 1.936 9.139 3.878 1.00 4.34 O ATOM 0 H SER A 433 4.441 8.654 1.717 1.00 12.11 H new ATOM 0 HA SER A 433 3.833 7.080 4.171 1.00 74.33 H new ATOM 0 HB2 SER A 433 1.723 8.056 2.133 1.00 51.41 H new ATOM 0 HB3 SER A 433 1.404 7.163 3.607 1.00 51.41 H new ATOM 0 HG SER A 433 1.047 9.522 3.724 1.00 4.34 H new ATOM 617 N ALA A 434 3.952 4.936 2.877 1.00 40.30 N ATOM 618 CA ALA A 434 3.870 3.591 2.208 1.00 74.54 C ATOM 619 C ALA A 434 3.306 2.498 3.213 1.00 21.44 C ATOM 620 O ALA A 434 3.889 2.352 4.287 1.00 30.23 O ATOM 621 CB ALA A 434 5.256 3.141 1.694 1.00 44.53 C ATOM 0 H ALA A 434 4.227 4.882 3.858 1.00 40.30 H new ATOM 0 HA ALA A 434 3.191 3.688 1.361 1.00 74.54 H new ATOM 0 HB1 ALA A 434 5.167 2.166 1.215 1.00 44.53 H new ATOM 0 HB2 ALA A 434 5.630 3.867 0.972 1.00 44.53 H new ATOM 0 HB3 ALA A 434 5.950 3.072 2.532 1.00 44.53 H new ATOM 627 N LYS A 435 2.156 1.781 2.912 1.00 60.24 N ATOM 628 CA LYS A 435 1.701 0.587 3.679 1.00 22.45 C ATOM 629 C LYS A 435 0.807 -0.333 2.752 1.00 73.21 C ATOM 630 O LYS A 435 0.033 0.212 1.952 1.00 52.22 O ATOM 631 CB LYS A 435 1.001 0.958 5.060 1.00 51.21 C ATOM 632 CG LYS A 435 -0.222 1.871 5.104 1.00 41.41 C ATOM 633 CD LYS A 435 -1.477 1.174 4.578 1.00 52.11 C ATOM 634 CE LYS A 435 -2.799 1.770 5.055 1.00 64.52 C ATOM 635 NZ LYS A 435 -2.723 3.213 5.426 1.00 51.34 N ATOM 0 H LYS A 435 1.538 2.025 2.138 1.00 60.24 H new ATOM 0 HA LYS A 435 2.582 0.016 3.973 1.00 22.45 H new ATOM 0 HB2 LYS A 435 0.715 0.019 5.535 1.00 51.21 H new ATOM 0 HB3 LYS A 435 1.763 1.415 5.691 1.00 51.21 H new ATOM 0 HG2 LYS A 435 -0.393 2.199 6.129 1.00 41.41 H new ATOM 0 HG3 LYS A 435 -0.028 2.765 4.511 1.00 41.41 H new ATOM 0 HD2 LYS A 435 -1.458 1.199 3.488 1.00 52.11 H new ATOM 0 HD3 LYS A 435 -1.442 0.125 4.873 1.00 52.11 H new ATOM 0 HE2 LYS A 435 -3.544 1.648 4.269 1.00 64.52 H new ATOM 0 HE3 LYS A 435 -3.150 1.203 5.917 1.00 64.52 H new ATOM 0 HZ1 LYS A 435 -3.684 3.606 5.492 1.00 51.34 H new ATOM 0 HZ2 LYS A 435 -2.245 3.311 6.345 1.00 51.34 H new ATOM 0 HZ3 LYS A 435 -2.187 3.730 4.700 1.00 51.34 H new ATOM 649 N VAL A 436 0.932 -1.700 2.780 1.00 63.24 N ATOM 650 CA VAL A 436 -0.182 -2.553 2.223 1.00 42.03 C ATOM 651 C VAL A 436 -0.957 -3.193 3.436 1.00 45.12 C ATOM 652 O VAL A 436 -0.698 -4.310 3.890 1.00 4.13 O ATOM 653 CB VAL A 436 0.372 -3.637 1.135 1.00 45.51 C ATOM 654 CG1 VAL A 436 -0.558 -4.822 0.803 1.00 41.14 C ATOM 655 CG2 VAL A 436 0.760 -3.047 -0.241 1.00 12.02 C ATOM 0 H VAL A 436 1.732 -2.210 3.154 1.00 63.24 H new ATOM 0 HA VAL A 436 -0.886 -1.945 1.655 1.00 42.03 H new ATOM 0 HB VAL A 436 1.244 -3.987 1.688 1.00 45.51 H new ATOM 0 HG11 VAL A 436 -0.076 -5.468 0.070 1.00 41.14 H new ATOM 0 HG12 VAL A 436 -0.761 -5.391 1.710 1.00 41.14 H new ATOM 0 HG13 VAL A 436 -1.496 -4.445 0.394 1.00 41.14 H new ATOM 0 HG21 VAL A 436 1.115 -3.846 -0.892 1.00 12.02 H new ATOM 0 HG22 VAL A 436 -0.111 -2.572 -0.692 1.00 12.02 H new ATOM 0 HG23 VAL A 436 1.550 -2.307 -0.110 1.00 12.02 H new ATOM 665 N PHE A 437 -1.828 -2.333 4.029 1.00 63.04 N ATOM 666 CA PHE A 437 -3.049 -2.661 4.807 1.00 4.43 C ATOM 667 C PHE A 437 -4.327 -2.028 4.187 1.00 24.23 C ATOM 668 O PHE A 437 -4.246 -1.026 3.472 1.00 71.32 O ATOM 669 CB PHE A 437 -2.971 -2.261 6.309 1.00 73.41 C ATOM 670 CG PHE A 437 -2.442 -3.321 7.257 1.00 52.32 C ATOM 671 CD1 PHE A 437 -3.273 -4.327 7.758 1.00 33.12 C ATOM 672 CD2 PHE A 437 -1.120 -3.299 7.669 1.00 13.22 C ATOM 673 CE1 PHE A 437 -2.780 -5.283 8.629 1.00 21.41 C ATOM 674 CE2 PHE A 437 -0.628 -4.254 8.540 1.00 43.22 C ATOM 675 CZ PHE A 437 -1.458 -5.248 9.013 1.00 4.23 C ATOM 0 H PHE A 437 -1.684 -1.325 3.971 1.00 63.04 H new ATOM 0 HA PHE A 437 -3.111 -3.748 4.755 1.00 4.43 H new ATOM 0 HB2 PHE A 437 -2.339 -1.377 6.396 1.00 73.41 H new ATOM 0 HB3 PHE A 437 -3.969 -1.973 6.639 1.00 73.41 H new ATOM 0 HD1 PHE A 437 -4.311 -4.359 7.462 1.00 33.12 H new ATOM 0 HD2 PHE A 437 -0.463 -2.524 7.304 1.00 13.22 H new ATOM 0 HE1 PHE A 437 -3.432 -6.056 9.007 1.00 21.41 H new ATOM 0 HE2 PHE A 437 0.406 -4.221 8.850 1.00 43.22 H new ATOM 0 HZ PHE A 437 -1.071 -6.000 9.685 1.00 4.23 H new ATOM 866 N GLY A 449 -3.313 -0.620 -2.039 1.00 72.24 N ATOM 867 CA GLY A 449 -2.225 0.236 -1.406 1.00 64.23 C ATOM 868 C GLY A 449 -2.251 1.740 -1.591 1.00 53.44 C ATOM 869 O GLY A 449 -2.857 2.290 -2.522 1.00 63.53 O ATOM 0 HA2 GLY A 449 -2.238 0.039 -0.334 1.00 64.23 H new ATOM 0 HA3 GLY A 449 -1.267 -0.122 -1.784 1.00 64.23 H new ATOM 873 N PHE A 450 -1.559 2.377 -0.593 1.00 52.04 N ATOM 874 CA PHE A 450 -1.588 3.847 -0.330 1.00 31.12 C ATOM 875 C PHE A 450 -0.189 4.548 -0.682 1.00 12.22 C ATOM 876 O PHE A 450 0.804 4.187 -0.040 1.00 55.24 O ATOM 877 CB PHE A 450 -1.922 3.959 1.209 1.00 31.25 C ATOM 878 CG PHE A 450 -3.316 3.563 1.599 1.00 53.51 C ATOM 879 CD1 PHE A 450 -3.776 2.257 1.480 1.00 4.31 C ATOM 880 CD2 PHE A 450 -4.171 4.504 2.113 1.00 21.42 C ATOM 881 CE1 PHE A 450 -5.039 1.896 1.855 1.00 62.14 C ATOM 882 CE2 PHE A 450 -5.445 4.153 2.499 1.00 51.41 C ATOM 883 CZ PHE A 450 -5.870 2.839 2.365 1.00 4.42 C ATOM 0 H PHE A 450 -0.958 1.872 0.058 1.00 52.04 H new ATOM 0 HA PHE A 450 -2.320 4.360 -0.954 1.00 31.12 H new ATOM 0 HB2 PHE A 450 -1.218 3.337 1.762 1.00 31.25 H new ATOM 0 HB3 PHE A 450 -1.754 4.988 1.525 1.00 31.25 H new ATOM 0 HD1 PHE A 450 -3.114 1.504 1.078 1.00 4.31 H new ATOM 0 HD2 PHE A 450 -3.843 5.528 2.216 1.00 21.42 H new ATOM 0 HE1 PHE A 450 -5.371 0.874 1.747 1.00 62.14 H new ATOM 0 HE2 PHE A 450 -6.112 4.899 2.905 1.00 51.41 H new ATOM 0 HZ PHE A 450 -6.870 2.565 2.669 1.00 4.42 H new ATOM 893 N VAL A 451 -0.070 5.515 -1.696 1.00 52.22 N ATOM 894 CA VAL A 451 1.229 6.284 -1.909 1.00 41.35 C ATOM 895 C VAL A 451 0.937 7.828 -1.931 1.00 71.22 C ATOM 896 O VAL A 451 0.179 8.269 -2.790 1.00 3.11 O ATOM 897 CB VAL A 451 1.951 5.970 -3.293 1.00 14.53 C ATOM 898 CG1 VAL A 451 3.467 5.868 -3.180 1.00 51.31 C ATOM 899 CG2 VAL A 451 1.346 4.805 -4.064 1.00 21.40 C ATOM 0 H VAL A 451 -0.820 5.763 -2.341 1.00 52.22 H new ATOM 0 HA VAL A 451 1.875 5.974 -1.088 1.00 41.35 H new ATOM 0 HB VAL A 451 1.751 6.853 -3.900 1.00 14.53 H new ATOM 0 HG11 VAL A 451 3.891 5.653 -4.161 1.00 51.31 H new ATOM 0 HG12 VAL A 451 3.869 6.811 -2.810 1.00 51.31 H new ATOM 0 HG13 VAL A 451 3.727 5.067 -2.488 1.00 51.31 H new ATOM 0 HG21 VAL A 451 1.896 4.659 -4.993 1.00 21.40 H new ATOM 0 HG22 VAL A 451 1.406 3.899 -3.461 1.00 21.40 H new ATOM 0 HG23 VAL A 451 0.302 5.022 -4.291 1.00 21.40 H new ATOM 909 N SER A 452 1.528 8.667 -1.024 1.00 0.34 N ATOM 910 CA SER A 452 1.197 10.092 -0.942 1.00 0.12 C ATOM 911 C SER A 452 2.558 10.985 -1.136 1.00 1.33 C ATOM 912 O SER A 452 3.571 10.643 -0.519 1.00 73.35 O ATOM 913 CB SER A 452 0.471 10.214 0.450 1.00 55.22 C ATOM 914 OG SER A 452 0.011 8.946 0.906 1.00 23.22 O ATOM 0 H SER A 452 2.231 8.364 -0.350 1.00 0.34 H new ATOM 0 HA SER A 452 0.542 10.478 -1.723 1.00 0.12 H new ATOM 0 HB2 SER A 452 1.155 10.640 1.183 1.00 55.22 H new ATOM 0 HB3 SER A 452 -0.372 10.900 0.364 1.00 55.22 H new ATOM 0 HG SER A 452 -0.434 9.052 1.773 1.00 23.22 H new ATOM 920 N TYR A 453 2.608 12.102 -2.016 1.00 72.13 N ATOM 921 CA TYR A 453 3.868 12.939 -2.301 1.00 3.35 C ATOM 922 C TYR A 453 3.765 14.365 -1.628 1.00 51.51 C ATOM 923 O TYR A 453 2.720 14.649 -1.032 1.00 71.13 O ATOM 924 CB TYR A 453 4.023 13.211 -3.831 1.00 14.43 C ATOM 925 CG TYR A 453 4.469 12.084 -4.788 1.00 71.34 C ATOM 926 CD1 TYR A 453 5.794 11.590 -4.880 1.00 62.40 C ATOM 927 CD2 TYR A 453 3.541 11.551 -5.675 1.00 72.32 C ATOM 928 CE1 TYR A 453 6.113 10.615 -5.816 1.00 34.51 C ATOM 929 CE2 TYR A 453 3.866 10.591 -6.587 1.00 60.03 C ATOM 930 CZ TYR A 453 5.142 10.121 -6.656 1.00 43.35 C ATOM 931 OH TYR A 453 5.459 9.164 -7.585 1.00 34.23 O ATOM 0 H TYR A 453 1.789 12.429 -2.529 1.00 72.13 H new ATOM 0 HA TYR A 453 4.708 12.368 -1.906 1.00 3.35 H new ATOM 0 HB2 TYR A 453 3.062 13.577 -4.191 1.00 14.43 H new ATOM 0 HB3 TYR A 453 4.736 14.028 -3.942 1.00 14.43 H new ATOM 0 HD1 TYR A 453 6.558 11.973 -4.220 1.00 62.40 H new ATOM 0 HD2 TYR A 453 2.523 11.911 -5.640 1.00 72.32 H new ATOM 0 HE1 TYR A 453 7.125 10.244 -5.885 1.00 34.51 H new ATOM 0 HE2 TYR A 453 3.111 10.203 -7.255 1.00 60.03 H new ATOM 0 HH TYR A 453 6.188 8.605 -7.243 1.00 34.23 H new ATOM 941 N ASP A 454 4.829 15.274 -1.712 1.00 50.24 N ATOM 942 CA ASP A 454 4.746 16.598 -1.000 1.00 34.41 C ATOM 943 C ASP A 454 4.082 17.779 -1.796 1.00 41.11 C ATOM 944 O ASP A 454 3.591 18.702 -1.142 1.00 14.41 O ATOM 945 CB ASP A 454 6.096 17.126 -0.339 1.00 24.11 C ATOM 946 CG ASP A 454 5.863 17.744 1.041 1.00 34.33 C ATOM 947 OD1 ASP A 454 4.981 17.260 1.775 1.00 23.22 O ATOM 948 OD2 ASP A 454 6.583 18.709 1.395 1.00 34.31 O ATOM 0 H ASP A 454 5.691 15.115 -2.233 1.00 50.24 H new ATOM 0 HA ASP A 454 4.065 16.309 -0.199 1.00 34.41 H new ATOM 0 HB2 ASP A 454 6.802 16.300 -0.250 1.00 24.11 H new ATOM 0 HB3 ASP A 454 6.553 17.867 -0.994 1.00 24.11 H new ATOM 953 N ASN A 455 4.030 17.809 -3.171 1.00 55.52 N ATOM 954 CA ASN A 455 3.492 19.022 -3.857 1.00 41.40 C ATOM 955 C ASN A 455 2.797 18.792 -5.235 1.00 23.32 C ATOM 956 O ASN A 455 3.349 18.050 -6.040 1.00 53.13 O ATOM 957 CB ASN A 455 4.487 20.208 -3.876 1.00 50.00 C ATOM 958 CG ASN A 455 6.023 19.957 -3.996 1.00 64.42 C ATOM 959 OD1 ASN A 455 6.792 20.869 -3.689 1.00 73.32 O ATOM 960 ND2 ASN A 455 6.502 18.748 -4.293 1.00 33.12 N ATOM 0 H ASN A 455 4.335 17.055 -3.787 1.00 55.52 H new ATOM 0 HA ASN A 455 2.664 19.309 -3.209 1.00 41.40 H new ATOM 0 HB2 ASN A 455 4.201 20.853 -4.707 1.00 50.00 H new ATOM 0 HB3 ASN A 455 4.325 20.777 -2.960 1.00 50.00 H new ATOM 0 HD21 ASN A 455 7.507 18.577 -4.266 1.00 33.12 H new ATOM 0 HD22 ASN A 455 5.863 17.995 -4.547 1.00 33.12 H new ATOM 967 N PRO A 456 1.530 19.407 -5.517 1.00 33.42 N ATOM 968 CA PRO A 456 0.664 19.065 -6.684 1.00 25.21 C ATOM 969 C PRO A 456 1.286 19.006 -8.148 1.00 30.21 C ATOM 970 O PRO A 456 0.638 18.444 -9.035 1.00 24.22 O ATOM 971 CB PRO A 456 -0.544 20.061 -6.579 1.00 70.34 C ATOM 972 CG PRO A 456 -0.183 21.066 -5.558 1.00 22.13 C ATOM 973 CD PRO A 456 0.705 20.297 -4.639 1.00 14.04 C ATOM 0 HA PRO A 456 0.407 18.010 -6.593 1.00 25.21 H new ATOM 0 HB2 PRO A 456 -0.736 20.538 -7.540 1.00 70.34 H new ATOM 0 HB3 PRO A 456 -1.456 19.534 -6.297 1.00 70.34 H new ATOM 0 HG2 PRO A 456 0.331 21.921 -5.996 1.00 22.13 H new ATOM 0 HG3 PRO A 456 -1.062 21.453 -5.042 1.00 22.13 H new ATOM 0 HD2 PRO A 456 1.338 20.966 -4.056 1.00 14.04 H new ATOM 0 HD3 PRO A 456 0.120 19.712 -3.929 1.00 14.04 H new ATOM 981 N VAL A 457 2.520 19.547 -8.419 1.00 14.05 N ATOM 982 CA VAL A 457 3.181 19.417 -9.783 1.00 20.22 C ATOM 983 C VAL A 457 3.643 17.932 -10.049 1.00 11.52 C ATOM 984 O VAL A 457 3.474 17.442 -11.167 1.00 22.32 O ATOM 985 CB VAL A 457 4.401 20.458 -10.016 1.00 43.51 C ATOM 986 CG1 VAL A 457 5.111 20.271 -11.375 1.00 4.24 C ATOM 987 CG2 VAL A 457 3.979 21.948 -9.998 1.00 12.32 C ATOM 0 H VAL A 457 3.072 20.066 -7.736 1.00 14.05 H new ATOM 0 HA VAL A 457 2.417 19.684 -10.513 1.00 20.22 H new ATOM 0 HB VAL A 457 5.057 20.228 -9.176 1.00 43.51 H new ATOM 0 HG11 VAL A 457 5.917 20.999 -11.468 1.00 4.24 H new ATOM 0 HG12 VAL A 457 5.523 19.264 -11.435 1.00 4.24 H new ATOM 0 HG13 VAL A 457 4.395 20.419 -12.183 1.00 4.24 H new ATOM 0 HG21 VAL A 457 4.855 22.576 -10.161 1.00 12.32 H new ATOM 0 HG22 VAL A 457 3.250 22.129 -10.788 1.00 12.32 H new ATOM 0 HG23 VAL A 457 3.535 22.189 -9.032 1.00 12.32 H new ATOM 997 N SER A 458 4.141 17.185 -9.013 1.00 22.50 N ATOM 998 CA SER A 458 4.658 15.785 -9.216 1.00 73.55 C ATOM 999 C SER A 458 3.535 14.706 -9.436 1.00 45.54 C ATOM 1000 O SER A 458 3.813 13.651 -10.016 1.00 1.41 O ATOM 1001 CB SER A 458 5.633 15.348 -8.068 1.00 34.23 C ATOM 1002 OG SER A 458 5.124 15.673 -6.785 1.00 71.43 O ATOM 0 H SER A 458 4.196 17.517 -8.050 1.00 22.50 H new ATOM 0 HA SER A 458 5.218 15.830 -10.150 1.00 73.55 H new ATOM 0 HB2 SER A 458 5.805 14.273 -8.128 1.00 34.23 H new ATOM 0 HB3 SER A 458 6.599 15.834 -8.208 1.00 34.23 H new ATOM 0 HG SER A 458 5.760 15.383 -6.098 1.00 71.43 H new ATOM 1008 N ALA A 459 2.276 14.970 -8.983 1.00 55.31 N ATOM 1009 CA ALA A 459 1.119 14.036 -9.208 1.00 1.33 C ATOM 1010 C ALA A 459 0.711 13.866 -10.699 1.00 24.43 C ATOM 1011 O ALA A 459 0.341 12.760 -11.094 1.00 51.22 O ATOM 1012 CB ALA A 459 -0.130 14.346 -8.374 1.00 33.23 C ATOM 0 H ALA A 459 2.032 15.813 -8.463 1.00 55.31 H new ATOM 0 HA ALA A 459 1.527 13.089 -8.856 1.00 1.33 H new ATOM 0 HB1 ALA A 459 -0.910 13.620 -8.604 1.00 33.23 H new ATOM 0 HB2 ALA A 459 0.117 14.289 -7.314 1.00 33.23 H new ATOM 0 HB3 ALA A 459 -0.486 15.349 -8.611 1.00 33.23 H new ATOM 1018 N GLN A 460 0.796 14.944 -11.532 1.00 23.45 N ATOM 1019 CA GLN A 460 0.310 14.897 -12.930 1.00 10.33 C ATOM 1020 C GLN A 460 1.226 14.031 -13.827 1.00 72.25 C ATOM 1021 O GLN A 460 0.724 13.352 -14.731 1.00 71.32 O ATOM 1022 CB GLN A 460 0.089 16.308 -13.542 1.00 41.35 C ATOM 1023 CG GLN A 460 -0.963 17.175 -12.796 1.00 11.21 C ATOM 1024 CD GLN A 460 -2.168 16.415 -12.237 1.00 71.32 C ATOM 1025 OE1 GLN A 460 -3.145 16.164 -12.939 1.00 72.34 O ATOM 1026 NE2 GLN A 460 -2.121 16.103 -10.944 1.00 3.12 N ATOM 0 H GLN A 460 1.193 15.843 -11.257 1.00 23.45 H new ATOM 0 HA GLN A 460 -0.669 14.419 -12.893 1.00 10.33 H new ATOM 0 HB2 GLN A 460 1.040 16.840 -13.550 1.00 41.35 H new ATOM 0 HB3 GLN A 460 -0.222 16.195 -14.581 1.00 41.35 H new ATOM 0 HG2 GLN A 460 -0.466 17.689 -11.973 1.00 11.21 H new ATOM 0 HG3 GLN A 460 -1.325 17.943 -13.479 1.00 11.21 H new ATOM 0 HE21 GLN A 460 -1.291 16.328 -10.395 1.00 3.12 H new ATOM 0 HE22 GLN A 460 -2.915 15.639 -10.502 1.00 3.12 H new ATOM 1035 N ALA A 461 2.560 14.034 -13.560 1.00 52.43 N ATOM 1036 CA ALA A 461 3.503 13.147 -14.293 1.00 22.35 C ATOM 1037 C ALA A 461 3.354 11.641 -13.913 1.00 55.42 C ATOM 1038 O ALA A 461 3.491 10.794 -14.806 1.00 71.45 O ATOM 1039 CB ALA A 461 4.973 13.628 -14.198 1.00 20.43 C ATOM 0 H ALA A 461 2.999 14.628 -12.857 1.00 52.43 H new ATOM 0 HA ALA A 461 3.215 13.224 -15.341 1.00 22.35 H new ATOM 0 HB1 ALA A 461 5.616 12.943 -14.751 1.00 20.43 H new ATOM 0 HB2 ALA A 461 5.057 14.628 -14.623 1.00 20.43 H new ATOM 0 HB3 ALA A 461 5.281 13.651 -13.153 1.00 20.43 H new ATOM 1045 N ALA A 462 3.061 11.283 -12.622 1.00 3.45 N ATOM 1046 CA ALA A 462 2.817 9.862 -12.267 1.00 53.03 C ATOM 1047 C ALA A 462 1.525 9.279 -12.889 1.00 24.33 C ATOM 1048 O ALA A 462 1.584 8.156 -13.357 1.00 33.13 O ATOM 1049 CB ALA A 462 2.881 9.560 -10.755 1.00 1.11 C ATOM 0 H ALA A 462 2.992 11.938 -11.843 1.00 3.45 H new ATOM 0 HA ALA A 462 3.662 9.345 -12.722 1.00 53.03 H new ATOM 0 HB1 ALA A 462 2.691 8.500 -10.587 1.00 1.11 H new ATOM 0 HB2 ALA A 462 3.870 9.816 -10.374 1.00 1.11 H new ATOM 0 HB3 ALA A 462 2.127 10.150 -10.234 1.00 1.11 H new ATOM 1055 N ILE A 463 0.381 10.038 -12.958 1.00 54.44 N ATOM 1056 CA ILE A 463 -0.872 9.521 -13.543 1.00 24.23 C ATOM 1057 C ILE A 463 -0.652 9.077 -15.035 1.00 22.02 C ATOM 1058 O ILE A 463 -1.200 8.055 -15.411 1.00 24.11 O ATOM 1059 CB ILE A 463 -2.090 10.551 -13.318 1.00 10.13 C ATOM 1060 CG1 ILE A 463 -2.394 10.750 -11.755 1.00 55.34 C ATOM 1061 CG2 ILE A 463 -3.388 10.134 -14.060 1.00 64.12 C ATOM 1062 CD1 ILE A 463 -3.575 11.656 -11.360 1.00 53.01 C ATOM 0 H ILE A 463 0.317 10.997 -12.616 1.00 54.44 H new ATOM 0 HA ILE A 463 -1.170 8.616 -13.014 1.00 24.23 H new ATOM 0 HB ILE A 463 -1.764 11.498 -13.748 1.00 10.13 H new ATOM 0 HG12 ILE A 463 -2.568 9.766 -11.320 1.00 55.34 H new ATOM 0 HG13 ILE A 463 -1.494 11.151 -11.288 1.00 55.34 H new ATOM 0 HG21 ILE A 463 -4.169 10.869 -13.867 1.00 64.12 H new ATOM 0 HG22 ILE A 463 -3.194 10.083 -15.131 1.00 64.12 H new ATOM 0 HG23 ILE A 463 -3.713 9.157 -13.703 1.00 64.12 H new ATOM 0 HD11 ILE A 463 -3.657 11.694 -10.274 1.00 53.01 H new ATOM 0 HD12 ILE A 463 -3.408 12.661 -11.747 1.00 53.01 H new ATOM 0 HD13 ILE A 463 -4.498 11.255 -11.780 1.00 53.01 H new ATOM 1074 N GLN A 464 0.218 9.773 -15.846 1.00 1.34 N ATOM 1075 CA GLN A 464 0.629 9.251 -17.204 1.00 1.43 C ATOM 1076 C GLN A 464 1.447 7.899 -17.179 1.00 20.41 C ATOM 1077 O GLN A 464 1.013 6.943 -17.818 1.00 63.24 O ATOM 1078 CB GLN A 464 1.406 10.345 -18.054 1.00 34.24 C ATOM 1079 CG GLN A 464 0.602 11.144 -19.121 1.00 72.24 C ATOM 1080 CD GLN A 464 -0.788 11.726 -18.726 1.00 31.43 C ATOM 1081 OE1 GLN A 464 -1.805 11.044 -18.859 1.00 41.53 O ATOM 1082 NE2 GLN A 464 -0.837 13.001 -18.281 1.00 42.34 N ATOM 0 H GLN A 464 0.637 10.668 -15.595 1.00 1.34 H new ATOM 0 HA GLN A 464 -0.318 9.021 -17.692 1.00 1.43 H new ATOM 0 HB2 GLN A 464 1.842 11.062 -17.358 1.00 34.24 H new ATOM 0 HB3 GLN A 464 2.234 9.849 -18.561 1.00 34.24 H new ATOM 0 HG2 GLN A 464 1.226 11.974 -19.453 1.00 72.24 H new ATOM 0 HG3 GLN A 464 0.455 10.492 -19.982 1.00 72.24 H new ATOM 0 HE21 GLN A 464 0.023 13.540 -18.182 1.00 42.34 H new ATOM 0 HE22 GLN A 464 -1.734 13.424 -18.044 1.00 42.34 H new ATOM 1091 N ALA A 465 2.608 7.801 -16.471 1.00 34.11 N ATOM 1092 CA ALA A 465 3.460 6.533 -16.472 1.00 13.22 C ATOM 1093 C ALA A 465 2.880 5.364 -15.565 1.00 44.51 C ATOM 1094 O ALA A 465 3.474 4.284 -15.487 1.00 31.14 O ATOM 1095 CB ALA A 465 4.962 6.827 -16.138 1.00 62.33 C ATOM 0 H ALA A 465 2.986 8.556 -15.898 1.00 34.11 H new ATOM 0 HA ALA A 465 3.413 6.165 -17.497 1.00 13.22 H new ATOM 0 HB1 ALA A 465 5.527 5.895 -16.151 1.00 62.33 H new ATOM 0 HB2 ALA A 465 5.373 7.510 -16.881 1.00 62.33 H new ATOM 0 HB3 ALA A 465 5.033 7.281 -15.149 1.00 62.33 H new ATOM 1101 N MET A 466 1.720 5.610 -14.906 1.00 12.12 N ATOM 1102 CA MET A 466 1.041 4.699 -13.913 1.00 21.30 C ATOM 1103 C MET A 466 -0.402 4.319 -14.338 1.00 52.21 C ATOM 1104 O MET A 466 -0.953 3.379 -13.767 1.00 11.12 O ATOM 1105 CB MET A 466 1.014 5.257 -12.444 1.00 53.13 C ATOM 1106 CG MET A 466 2.317 5.134 -11.630 1.00 34.52 C ATOM 1107 SD MET A 466 3.761 5.985 -12.307 1.00 42.32 S ATOM 1108 CE MET A 466 4.943 5.718 -10.987 1.00 2.13 C ATOM 0 H MET A 466 1.202 6.477 -15.047 1.00 12.12 H new ATOM 0 HA MET A 466 1.664 3.805 -13.916 1.00 21.30 H new ATOM 0 HB2 MET A 466 0.738 6.311 -12.486 1.00 53.13 H new ATOM 0 HB3 MET A 466 0.223 4.741 -11.899 1.00 53.13 H new ATOM 0 HG2 MET A 466 2.132 5.517 -10.627 1.00 34.52 H new ATOM 0 HG3 MET A 466 2.559 4.076 -11.528 1.00 34.52 H new ATOM 0 HE1 MET A 466 5.893 6.184 -11.249 1.00 2.13 H new ATOM 0 HE2 MET A 466 4.565 6.160 -10.065 1.00 2.13 H new ATOM 0 HE3 MET A 466 5.091 4.648 -10.842 1.00 2.13 H new ATOM 1118 N ASN A 467 -1.050 5.016 -15.308 1.00 14.22 N ATOM 1119 CA ASN A 467 -2.264 4.445 -15.884 1.00 64.03 C ATOM 1120 C ASN A 467 -1.800 3.389 -16.953 1.00 32.31 C ATOM 1121 O ASN A 467 -0.944 3.733 -17.778 1.00 1.55 O ATOM 1122 CB ASN A 467 -3.313 5.496 -16.447 1.00 62.22 C ATOM 1123 CG ASN A 467 -2.863 6.592 -17.427 1.00 51.11 C ATOM 1124 OD1 ASN A 467 -3.434 7.675 -17.400 1.00 3.53 O ATOM 1125 ND2 ASN A 467 -1.903 6.370 -18.312 1.00 65.02 N ATOM 0 H ASN A 467 -0.763 5.921 -15.681 1.00 14.22 H new ATOM 0 HA ASN A 467 -2.842 3.972 -15.090 1.00 64.03 H new ATOM 0 HB2 ASN A 467 -4.105 4.930 -16.937 1.00 62.22 H new ATOM 0 HB3 ASN A 467 -3.762 5.995 -15.588 1.00 62.22 H new ATOM 0 HD21 ASN A 467 -1.639 7.101 -18.972 1.00 65.02 H new ATOM 0 HD22 ASN A 467 -1.428 5.468 -18.334 1.00 65.02 H new ATOM 1132 N GLY A 468 -2.295 2.114 -16.952 1.00 32.33 N ATOM 1133 CA GLY A 468 -1.804 1.128 -17.938 1.00 43.14 C ATOM 1134 C GLY A 468 -0.608 0.191 -17.590 1.00 35.31 C ATOM 1135 O GLY A 468 -0.124 -0.434 -18.532 1.00 61.52 O ATOM 0 H GLY A 468 -3.003 1.765 -16.305 1.00 32.33 H new ATOM 0 HA2 GLY A 468 -2.647 0.489 -18.202 1.00 43.14 H new ATOM 0 HA3 GLY A 468 -1.529 1.681 -18.836 1.00 43.14 H new ATOM 1139 N PHE A 469 -0.108 0.041 -16.324 1.00 23.01 N ATOM 1140 CA PHE A 469 1.177 -0.722 -16.134 1.00 73.21 C ATOM 1141 C PHE A 469 0.884 -2.274 -16.203 1.00 4.15 C ATOM 1142 O PHE A 469 0.216 -2.819 -15.318 1.00 25.50 O ATOM 1143 CB PHE A 469 1.924 -0.321 -14.791 1.00 31.15 C ATOM 1144 CG PHE A 469 3.459 -0.282 -14.852 1.00 32.12 C ATOM 1145 CD1 PHE A 469 4.221 -1.415 -15.124 1.00 45.21 C ATOM 1146 CD2 PHE A 469 4.144 0.906 -14.605 1.00 21.12 C ATOM 1147 CE1 PHE A 469 5.609 -1.351 -15.152 1.00 73.41 C ATOM 1148 CE2 PHE A 469 5.527 0.964 -14.632 1.00 74.40 C ATOM 1149 CZ PHE A 469 6.252 -0.164 -14.906 1.00 50.55 C ATOM 0 H PHE A 469 -0.535 0.407 -15.473 1.00 23.01 H new ATOM 0 HA PHE A 469 1.857 -0.455 -16.943 1.00 73.21 H new ATOM 0 HB2 PHE A 469 1.569 0.662 -14.482 1.00 31.15 H new ATOM 0 HB3 PHE A 469 1.630 -1.025 -14.013 1.00 31.15 H new ATOM 0 HD1 PHE A 469 3.727 -2.356 -15.316 1.00 45.21 H new ATOM 0 HD2 PHE A 469 3.583 1.803 -14.387 1.00 21.12 H new ATOM 0 HE1 PHE A 469 6.184 -2.239 -15.368 1.00 73.41 H new ATOM 0 HE2 PHE A 469 6.033 1.898 -14.437 1.00 74.40 H new ATOM 0 HZ PHE A 469 7.331 -0.120 -14.929 1.00 50.55 H new ATOM 1159 N GLN A 470 1.365 -2.980 -17.273 1.00 60.25 N ATOM 1160 CA GLN A 470 1.005 -4.404 -17.534 1.00 50.35 C ATOM 1161 C GLN A 470 2.179 -5.390 -17.122 1.00 32.20 C ATOM 1162 O GLN A 470 3.284 -5.256 -17.643 1.00 64.14 O ATOM 1163 CB GLN A 470 0.653 -4.447 -19.062 1.00 30.11 C ATOM 1164 CG GLN A 470 0.175 -5.784 -19.680 1.00 12.12 C ATOM 1165 CD GLN A 470 -1.210 -5.682 -20.260 1.00 2.03 C ATOM 1166 OE1 GLN A 470 -1.556 -4.697 -20.906 1.00 52.15 O ATOM 1167 NE2 GLN A 470 -2.036 -6.653 -19.926 1.00 1.20 N ATOM 0 H GLN A 470 2.001 -2.583 -17.965 1.00 60.25 H new ATOM 0 HA GLN A 470 0.162 -4.745 -16.933 1.00 50.35 H new ATOM 0 HB2 GLN A 470 -0.123 -3.704 -19.243 1.00 30.11 H new ATOM 0 HB3 GLN A 470 1.537 -4.126 -19.613 1.00 30.11 H new ATOM 0 HG2 GLN A 470 0.872 -6.091 -20.460 1.00 12.12 H new ATOM 0 HG3 GLN A 470 0.190 -6.561 -18.916 1.00 12.12 H new ATOM 0 HE21 GLN A 470 -1.695 -7.450 -19.388 1.00 1.20 H new ATOM 0 HE22 GLN A 470 -3.016 -6.608 -20.206 1.00 1.20 H new ATOM 1176 N ILE A 471 1.944 -6.368 -16.157 1.00 43.34 N ATOM 1177 CA ILE A 471 3.031 -7.294 -15.594 1.00 71.11 C ATOM 1178 C ILE A 471 2.389 -8.691 -15.291 1.00 11.21 C ATOM 1179 O ILE A 471 1.825 -8.841 -14.199 1.00 15.45 O ATOM 1180 CB ILE A 471 3.649 -6.782 -14.197 1.00 3.11 C ATOM 1181 CG1 ILE A 471 3.612 -5.235 -14.150 1.00 3.03 C ATOM 1182 CG2 ILE A 471 5.087 -7.292 -13.919 1.00 4.03 C ATOM 1183 CD1 ILE A 471 4.144 -4.550 -12.890 1.00 50.01 C ATOM 0 H ILE A 471 1.022 -6.536 -15.755 1.00 43.34 H new ATOM 0 HA ILE A 471 3.823 -7.326 -16.342 1.00 71.11 H new ATOM 0 HB ILE A 471 3.026 -7.205 -13.409 1.00 3.11 H new ATOM 0 HG12 ILE A 471 4.180 -4.860 -15.001 1.00 3.03 H new ATOM 0 HG13 ILE A 471 2.578 -4.920 -14.292 1.00 3.03 H new ATOM 0 HG21 ILE A 471 5.432 -6.904 -12.961 1.00 4.03 H new ATOM 0 HG22 ILE A 471 5.087 -8.382 -13.891 1.00 4.03 H new ATOM 0 HG23 ILE A 471 5.754 -6.949 -14.710 1.00 4.03 H new ATOM 0 HD11 ILE A 471 4.056 -3.469 -12.999 1.00 50.01 H new ATOM 0 HD12 ILE A 471 3.565 -4.876 -12.026 1.00 50.01 H new ATOM 0 HD13 ILE A 471 5.191 -4.816 -12.746 1.00 50.01 H new ATOM 1195 N GLY A 472 2.420 -9.715 -16.213 1.00 14.34 N ATOM 1196 CA GLY A 472 1.725 -10.989 -15.921 1.00 52.30 C ATOM 1197 C GLY A 472 0.170 -10.837 -16.021 1.00 42.33 C ATOM 1198 O GLY A 472 -0.311 -10.014 -16.808 1.00 1.40 O ATOM 0 H GLY A 472 2.896 -9.675 -17.114 1.00 14.34 H new ATOM 0 HA2 GLY A 472 2.061 -11.755 -16.619 1.00 52.30 H new ATOM 0 HA3 GLY A 472 1.994 -11.329 -14.921 1.00 52.30 H new ATOM 1202 N MET A 473 -0.613 -11.598 -15.221 1.00 31.05 N ATOM 1203 CA MET A 473 -2.140 -11.573 -15.282 1.00 50.23 C ATOM 1204 C MET A 473 -2.831 -10.430 -14.445 1.00 74.23 C ATOM 1205 O MET A 473 -3.983 -10.585 -14.032 1.00 71.00 O ATOM 1206 CB MET A 473 -2.717 -13.013 -14.955 1.00 43.34 C ATOM 1207 CG MET A 473 -2.575 -13.559 -13.516 1.00 42.45 C ATOM 1208 SD MET A 473 -3.084 -15.278 -13.364 1.00 73.14 S ATOM 1209 CE MET A 473 -2.500 -15.646 -11.706 1.00 62.42 C ATOM 0 H MET A 473 -0.240 -12.241 -14.522 1.00 31.05 H new ATOM 0 HA MET A 473 -2.400 -11.310 -16.307 1.00 50.23 H new ATOM 0 HB2 MET A 473 -3.778 -13.008 -15.204 1.00 43.34 H new ATOM 0 HB3 MET A 473 -2.235 -13.723 -15.627 1.00 43.34 H new ATOM 0 HG2 MET A 473 -1.537 -13.464 -13.198 1.00 42.45 H new ATOM 0 HG3 MET A 473 -3.173 -12.947 -12.840 1.00 42.45 H new ATOM 0 HE1 MET A 473 -2.739 -16.680 -11.457 1.00 62.42 H new ATOM 0 HE2 MET A 473 -1.421 -15.502 -11.660 1.00 62.42 H new ATOM 0 HE3 MET A 473 -2.986 -14.980 -10.993 1.00 62.42 H new ATOM 1219 N LYS A 474 -2.164 -9.252 -14.259 1.00 30.32 N ATOM 1220 CA LYS A 474 -2.785 -8.082 -13.594 1.00 54.10 C ATOM 1221 C LYS A 474 -2.368 -6.741 -14.284 1.00 62.11 C ATOM 1222 O LYS A 474 -1.214 -6.613 -14.711 1.00 74.12 O ATOM 1223 CB LYS A 474 -2.459 -7.981 -12.072 1.00 71.52 C ATOM 1224 CG LYS A 474 -3.348 -8.904 -11.144 1.00 4.04 C ATOM 1225 CD LYS A 474 -3.825 -8.245 -9.822 1.00 73.14 C ATOM 1226 CE LYS A 474 -4.947 -9.022 -9.085 1.00 15.33 C ATOM 1227 NZ LYS A 474 -4.714 -9.032 -7.611 1.00 33.40 N ATOM 0 H LYS A 474 -1.202 -9.096 -14.561 1.00 30.32 H new ATOM 0 HA LYS A 474 -3.858 -8.241 -13.697 1.00 54.10 H new ATOM 0 HB2 LYS A 474 -1.411 -8.239 -11.921 1.00 71.52 H new ATOM 0 HB3 LYS A 474 -2.581 -6.945 -11.756 1.00 71.52 H new ATOM 0 HG2 LYS A 474 -4.224 -9.224 -11.709 1.00 4.04 H new ATOM 0 HG3 LYS A 474 -2.780 -9.802 -10.900 1.00 4.04 H new ATOM 0 HD2 LYS A 474 -2.971 -8.143 -9.153 1.00 73.14 H new ATOM 0 HD3 LYS A 474 -4.181 -7.238 -10.040 1.00 73.14 H new ATOM 0 HE2 LYS A 474 -5.913 -8.564 -9.301 1.00 15.33 H new ATOM 0 HE3 LYS A 474 -4.989 -10.046 -9.457 1.00 15.33 H new ATOM 0 HZ1 LYS A 474 -5.479 -9.558 -7.142 1.00 33.40 H new ATOM 0 HZ2 LYS A 474 -3.803 -9.490 -7.407 1.00 33.40 H new ATOM 0 HZ3 LYS A 474 -4.698 -8.055 -7.255 1.00 33.40 H new ATOM 1241 N ARG A 475 -3.291 -5.759 -14.406 1.00 64.01 N ATOM 1242 CA ARG A 475 -2.915 -4.355 -14.686 1.00 3.43 C ATOM 1243 C ARG A 475 -2.873 -3.513 -13.353 1.00 34.22 C ATOM 1244 O ARG A 475 -3.615 -3.825 -12.426 1.00 72.41 O ATOM 1245 CB ARG A 475 -3.924 -3.595 -15.634 1.00 23.44 C ATOM 1246 CG ARG A 475 -3.935 -3.904 -17.122 1.00 14.12 C ATOM 1247 CD ARG A 475 -3.272 -2.747 -17.910 1.00 21.21 C ATOM 1248 NE ARG A 475 -3.273 -2.970 -19.352 1.00 33.42 N ATOM 1249 CZ ARG A 475 -4.158 -2.445 -20.210 1.00 71.11 C ATOM 1250 NH1 ARG A 475 -5.155 -1.624 -19.807 1.00 13.43 N ATOM 1251 NH2 ARG A 475 -4.039 -2.739 -21.489 1.00 65.40 N ATOM 0 H ARG A 475 -4.295 -5.912 -14.315 1.00 64.01 H new ATOM 0 HA ARG A 475 -1.943 -4.430 -15.173 1.00 3.43 H new ATOM 0 HB2 ARG A 475 -4.929 -3.780 -15.255 1.00 23.44 H new ATOM 0 HB3 ARG A 475 -3.733 -2.527 -15.524 1.00 23.44 H new ATOM 0 HG2 ARG A 475 -3.402 -4.836 -17.312 1.00 14.12 H new ATOM 0 HG3 ARG A 475 -4.960 -4.047 -17.464 1.00 14.12 H new ATOM 0 HD2 ARG A 475 -3.797 -1.817 -17.691 1.00 21.21 H new ATOM 0 HD3 ARG A 475 -2.245 -2.622 -17.567 1.00 21.21 H new ATOM 0 HE ARG A 475 -2.544 -3.572 -19.736 1.00 33.42 H new ATOM 0 HH11 ARG A 475 -5.252 -1.385 -18.820 1.00 13.43 H new ATOM 0 HH12 ARG A 475 -5.810 -1.244 -20.490 1.00 13.43 H new ATOM 0 HH21 ARG A 475 -3.287 -3.352 -21.804 1.00 65.40 H new ATOM 0 HH22 ARG A 475 -4.699 -2.353 -22.164 1.00 65.40 H new ATOM 1265 N LEU A 476 -1.977 -2.493 -13.249 1.00 24.24 N ATOM 1266 CA LEU A 476 -2.128 -1.353 -12.280 1.00 63.43 C ATOM 1267 C LEU A 476 -3.316 -0.392 -12.747 1.00 53.53 C ATOM 1268 O LEU A 476 -3.349 -0.049 -13.930 1.00 54.41 O ATOM 1269 CB LEU A 476 -0.800 -0.506 -12.250 1.00 71.23 C ATOM 1270 CG LEU A 476 -0.461 0.322 -10.994 1.00 15.23 C ATOM 1271 CD1 LEU A 476 0.374 -0.455 -9.956 1.00 44.53 C ATOM 1272 CD2 LEU A 476 0.324 1.566 -11.364 1.00 74.21 C ATOM 0 H LEU A 476 -1.137 -2.431 -13.824 1.00 24.24 H new ATOM 0 HA LEU A 476 -2.343 -1.763 -11.293 1.00 63.43 H new ATOM 0 HB2 LEU A 476 0.030 -1.191 -12.424 1.00 71.23 H new ATOM 0 HB3 LEU A 476 -0.830 0.180 -13.096 1.00 71.23 H new ATOM 0 HG LEU A 476 -1.424 0.575 -10.552 1.00 15.23 H new ATOM 0 HD11 LEU A 476 0.577 0.186 -9.098 1.00 44.53 H new ATOM 0 HD12 LEU A 476 -0.180 -1.335 -9.628 1.00 44.53 H new ATOM 0 HD13 LEU A 476 1.316 -0.767 -10.407 1.00 44.53 H new ATOM 0 HD21 LEU A 476 0.552 2.134 -10.462 1.00 74.21 H new ATOM 0 HD22 LEU A 476 1.253 1.277 -11.855 1.00 74.21 H new ATOM 0 HD23 LEU A 476 -0.268 2.182 -12.041 1.00 74.21 H new ATOM 1284 N LYS A 477 -4.293 0.035 -11.863 1.00 34.34 N ATOM 1285 CA LYS A 477 -5.274 1.172 -12.242 1.00 3.01 C ATOM 1286 C LYS A 477 -5.310 2.288 -11.098 1.00 14.25 C ATOM 1287 O LYS A 477 -5.758 1.992 -9.987 1.00 24.54 O ATOM 1288 CB LYS A 477 -6.726 0.655 -12.722 1.00 54.43 C ATOM 1289 CG LYS A 477 -7.950 1.685 -12.984 1.00 54.13 C ATOM 1290 CD LYS A 477 -7.576 3.063 -13.575 1.00 75.15 C ATOM 1291 CE LYS A 477 -8.794 4.019 -13.725 1.00 3.23 C ATOM 1292 NZ LYS A 477 -8.339 5.434 -13.712 1.00 42.04 N ATOM 0 H LYS A 477 -4.433 -0.354 -10.931 1.00 34.34 H new ATOM 0 HA LYS A 477 -4.884 1.654 -13.139 1.00 3.01 H new ATOM 0 HB2 LYS A 477 -6.574 0.102 -13.649 1.00 54.43 H new ATOM 0 HB3 LYS A 477 -7.069 -0.061 -11.976 1.00 54.43 H new ATOM 0 HG2 LYS A 477 -8.661 1.206 -13.658 1.00 54.13 H new ATOM 0 HG3 LYS A 477 -8.467 1.848 -12.038 1.00 54.13 H new ATOM 0 HD2 LYS A 477 -6.830 3.534 -12.936 1.00 75.15 H new ATOM 0 HD3 LYS A 477 -7.114 2.919 -14.552 1.00 75.15 H new ATOM 0 HE2 LYS A 477 -9.320 3.807 -14.656 1.00 3.23 H new ATOM 0 HE3 LYS A 477 -9.501 3.849 -12.913 1.00 3.23 H new ATOM 0 HZ1 LYS A 477 -9.166 6.064 -13.676 1.00 42.04 H new ATOM 0 HZ2 LYS A 477 -7.741 5.599 -12.877 1.00 42.04 H new ATOM 0 HZ3 LYS A 477 -7.791 5.630 -14.574 1.00 42.04 H new ATOM 1306 N VAL A 478 -4.843 3.581 -11.369 1.00 25.14 N ATOM 1307 CA VAL A 478 -4.632 4.624 -10.320 1.00 24.23 C ATOM 1308 C VAL A 478 -5.922 5.534 -10.130 1.00 4.31 C ATOM 1309 O VAL A 478 -6.549 5.900 -11.135 1.00 14.52 O ATOM 1310 CB VAL A 478 -3.322 5.496 -10.711 1.00 54.23 C ATOM 1311 CG1 VAL A 478 -3.421 7.017 -10.565 1.00 2.30 C ATOM 1312 CG2 VAL A 478 -2.061 5.090 -9.952 1.00 54.15 C ATOM 0 H VAL A 478 -4.613 3.901 -12.310 1.00 25.14 H new ATOM 0 HA VAL A 478 -4.463 4.142 -9.357 1.00 24.23 H new ATOM 0 HB VAL A 478 -3.263 5.255 -11.772 1.00 54.23 H new ATOM 0 HG11 VAL A 478 -2.476 7.473 -10.860 1.00 2.30 H new ATOM 0 HG12 VAL A 478 -4.220 7.393 -11.204 1.00 2.30 H new ATOM 0 HG13 VAL A 478 -3.638 7.270 -9.527 1.00 2.30 H new ATOM 0 HG21 VAL A 478 -1.228 5.718 -10.268 1.00 54.15 H new ATOM 0 HG22 VAL A 478 -2.224 5.215 -8.882 1.00 54.15 H new ATOM 0 HG23 VAL A 478 -1.829 4.046 -10.164 1.00 54.15 H new ATOM 1322 N GLN A 479 -6.343 5.884 -8.856 1.00 63.40 N ATOM 1323 CA GLN A 479 -7.509 6.751 -8.607 1.00 51.50 C ATOM 1324 C GLN A 479 -7.095 7.936 -7.650 1.00 12.23 C ATOM 1325 O GLN A 479 -6.349 7.694 -6.700 1.00 33.43 O ATOM 1326 CB GLN A 479 -8.723 5.901 -8.019 1.00 14.12 C ATOM 1327 CG GLN A 479 -8.327 4.774 -7.017 1.00 72.00 C ATOM 1328 CD GLN A 479 -8.526 5.145 -5.537 1.00 42.23 C ATOM 1329 OE1 GLN A 479 -8.507 6.315 -5.160 1.00 24.32 O ATOM 1330 NE2 GLN A 479 -8.621 4.136 -4.662 1.00 0.12 N ATOM 0 H GLN A 479 -5.877 5.567 -8.006 1.00 63.40 H new ATOM 0 HA GLN A 479 -7.850 7.183 -9.548 1.00 51.50 H new ATOM 0 HB2 GLN A 479 -9.413 6.582 -7.520 1.00 14.12 H new ATOM 0 HB3 GLN A 479 -9.265 5.451 -8.850 1.00 14.12 H new ATOM 0 HG2 GLN A 479 -8.915 3.884 -7.239 1.00 72.00 H new ATOM 0 HG3 GLN A 479 -7.281 4.513 -7.177 1.00 72.00 H new ATOM 0 HE21 GLN A 479 -8.635 3.172 -4.995 1.00 0.12 H new ATOM 0 HE22 GLN A 479 -8.679 4.331 -3.663 1.00 0.12 H new