USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=10 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 398 GLN : amide:sc= -0.0624 K(o=0.021,f=-1!) USER MOD Set 1.2: A 435 LYS NZ :NH3+ -145:sc= 0.0834 (180deg=-0.0129) USER MOD Set 2.1: A 419 GLN : amide:sc= -1.22 K(o=-3.1,f=-0.27) USER MOD Set 2.2: A 423 GLN : amide:sc= -1.85 K(o=-3.1,f=-0.27) USER MOD Single : A 399 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.101) USER MOD Single : A 406 ASN : amide:sc= 0.385 X(o=0.38,f=0.27) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=-0.18) USER MOD Single : A 414 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.3!) USER MOD Single : A 424 MET CE :methyl -151:sc= -0.0222 (180deg=-0.302) USER MOD Single : A 426 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 433 SER OG : rot 180:sc= -0.0816 USER MOD Single : A 452 SER OG : rot 171:sc= -2.36! USER MOD Single : A 453 TYR OH : rot -1:sc= 0.476 USER MOD Single : A 455 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.062) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 460 GLN : amide:sc=-0.00101 K(o=-0.001,f=-0.65) USER MOD Single : A 464 GLN : amide:sc= -0.842 K(o=-0.84,f=-0.1) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= 0.734 K(o=0.73,f=-0.094) USER MOD Single : A 470 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.0059) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 168:sc= 0.115 (180deg=-0.159) USER MOD Single : A 477 LYS NZ :NH3+ -154:sc= 0.00589 (180deg=0) USER MOD Single : A 479 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 0.769 6.897 7.725 1.00 41.33 N ATOM 57 CA GLN A 398 -0.082 7.611 6.707 1.00 64.33 C ATOM 58 C GLN A 398 -0.610 8.976 7.225 1.00 43.30 C ATOM 59 O GLN A 398 -1.648 9.062 7.890 1.00 33.11 O ATOM 60 CB GLN A 398 -1.212 6.680 6.105 1.00 20.25 C ATOM 61 CG GLN A 398 -2.575 7.270 5.515 1.00 74.33 C ATOM 62 CD GLN A 398 -3.259 6.245 4.618 1.00 53.40 C ATOM 63 OE1 GLN A 398 -2.587 5.409 4.026 1.00 25.53 O ATOM 64 NE2 GLN A 398 -4.594 6.294 4.508 1.00 30.52 N ATOM 0 HA GLN A 398 0.570 7.855 5.868 1.00 64.33 H new ATOM 0 HB2 GLN A 398 -0.749 6.101 5.306 1.00 20.25 H new ATOM 0 HB3 GLN A 398 -1.489 5.976 6.889 1.00 20.25 H new ATOM 0 HG2 GLN A 398 -3.241 7.548 6.332 1.00 74.33 H new ATOM 0 HG3 GLN A 398 -2.369 8.178 4.948 1.00 74.33 H new ATOM 0 HE21 GLN A 398 -5.122 7.004 5.016 1.00 30.52 H new ATOM 0 HE22 GLN A 398 -5.082 5.621 3.917 1.00 30.52 H new ATOM 73 N LYS A 399 0.189 10.036 6.994 1.00 63.42 N ATOM 74 CA LYS A 399 -0.230 11.421 7.183 1.00 12.54 C ATOM 75 C LYS A 399 0.075 12.290 5.910 1.00 74.14 C ATOM 76 O LYS A 399 1.224 12.600 5.607 1.00 1.15 O ATOM 77 CB LYS A 399 0.370 12.042 8.490 1.00 11.41 C ATOM 78 CG LYS A 399 1.734 11.488 9.007 1.00 74.34 C ATOM 79 CD LYS A 399 2.888 11.734 8.041 1.00 1.41 C ATOM 80 CE LYS A 399 4.256 11.230 8.550 1.00 53.23 C ATOM 81 NZ LYS A 399 5.241 12.331 8.477 1.00 32.10 N ATOM 0 H LYS A 399 1.151 9.944 6.668 1.00 63.42 H new ATOM 0 HA LYS A 399 -1.312 11.420 7.315 1.00 12.54 H new ATOM 0 HB2 LYS A 399 0.485 13.114 8.328 1.00 11.41 H new ATOM 0 HB3 LYS A 399 -0.364 11.917 9.286 1.00 11.41 H new ATOM 0 HG2 LYS A 399 1.967 11.951 9.966 1.00 74.34 H new ATOM 0 HG3 LYS A 399 1.640 10.417 9.185 1.00 74.34 H new ATOM 0 HD2 LYS A 399 2.664 11.246 7.092 1.00 1.41 H new ATOM 0 HD3 LYS A 399 2.958 12.803 7.841 1.00 1.41 H new ATOM 0 HE2 LYS A 399 4.166 10.874 9.576 1.00 53.23 H new ATOM 0 HE3 LYS A 399 4.592 10.386 7.948 1.00 53.23 H new ATOM 0 HZ1 LYS A 399 6.198 11.951 8.622 1.00 32.10 H new ATOM 0 HZ2 LYS A 399 5.186 12.784 7.543 1.00 32.10 H new ATOM 0 HZ3 LYS A 399 5.032 13.033 9.215 1.00 32.10 H new ATOM 95 N GLU A 400 -0.973 12.619 5.139 1.00 71.14 N ATOM 96 CA GLU A 400 -0.870 13.512 3.931 1.00 54.15 C ATOM 97 C GLU A 400 -0.689 15.018 4.288 1.00 70.40 C ATOM 98 O GLU A 400 -0.878 15.409 5.441 1.00 42.14 O ATOM 99 CB GLU A 400 -2.033 13.324 2.907 1.00 30.43 C ATOM 100 CG GLU A 400 -3.439 13.363 3.513 1.00 13.33 C ATOM 101 CD GLU A 400 -4.263 14.558 3.080 1.00 22.44 C ATOM 102 OE1 GLU A 400 -4.055 15.665 3.617 1.00 71.43 O ATOM 103 OE2 GLU A 400 -5.149 14.374 2.218 1.00 42.42 O ATOM 0 H GLU A 400 -1.920 12.285 5.318 1.00 71.14 H new ATOM 0 HA GLU A 400 0.044 13.180 3.439 1.00 54.15 H new ATOM 0 HB2 GLU A 400 -1.959 14.103 2.148 1.00 30.43 H new ATOM 0 HB3 GLU A 400 -1.899 12.369 2.398 1.00 30.43 H new ATOM 0 HG2 GLU A 400 -3.968 12.451 3.237 1.00 13.33 H new ATOM 0 HG3 GLU A 400 -3.355 13.367 4.600 1.00 13.33 H new ATOM 110 N GLY A 401 -0.294 15.850 3.291 1.00 51.33 N ATOM 111 CA GLY A 401 0.171 17.235 3.578 1.00 33.25 C ATOM 112 C GLY A 401 -0.811 18.316 3.104 1.00 54.23 C ATOM 113 O GLY A 401 -1.728 18.634 3.865 1.00 54.44 O ATOM 0 H GLY A 401 -0.287 15.596 2.303 1.00 51.33 H new ATOM 0 HA2 GLY A 401 0.329 17.343 4.651 1.00 33.25 H new ATOM 0 HA3 GLY A 401 1.136 17.394 3.096 1.00 33.25 H new ATOM 117 N PRO A 402 -0.675 18.952 1.888 1.00 61.22 N ATOM 118 CA PRO A 402 -1.626 19.981 1.472 1.00 11.30 C ATOM 119 C PRO A 402 -2.801 19.437 0.652 1.00 23.10 C ATOM 120 O PRO A 402 -2.782 18.279 0.206 1.00 13.23 O ATOM 121 CB PRO A 402 -0.731 20.910 0.643 1.00 24.32 C ATOM 122 CG PRO A 402 0.198 20.003 -0.071 1.00 14.41 C ATOM 123 CD PRO A 402 0.393 18.795 0.839 1.00 31.14 C ATOM 0 HA PRO A 402 -2.124 20.463 2.314 1.00 11.30 H new ATOM 0 HB2 PRO A 402 -1.319 21.505 -0.056 1.00 24.32 H new ATOM 0 HB3 PRO A 402 -0.189 21.609 1.280 1.00 24.32 H new ATOM 0 HG2 PRO A 402 -0.214 19.703 -1.034 1.00 14.41 H new ATOM 0 HG3 PRO A 402 1.149 20.498 -0.271 1.00 14.41 H new ATOM 0 HD2 PRO A 402 0.279 17.860 0.291 1.00 31.14 H new ATOM 0 HD3 PRO A 402 1.389 18.786 1.282 1.00 31.14 H new ATOM 131 N GLU A 403 -3.861 20.255 0.549 1.00 63.33 N ATOM 132 CA GLU A 403 -4.873 20.110 -0.477 1.00 62.42 C ATOM 133 C GLU A 403 -4.182 20.005 -1.875 1.00 50.42 C ATOM 134 O GLU A 403 -3.562 20.953 -2.365 1.00 20.34 O ATOM 135 CB GLU A 403 -5.834 21.328 -0.364 1.00 53.33 C ATOM 136 CG GLU A 403 -5.237 22.715 -0.665 1.00 34.45 C ATOM 137 CD GLU A 403 -6.298 23.778 -0.800 1.00 61.24 C ATOM 138 OE1 GLU A 403 -6.959 23.830 -1.849 1.00 10.24 O ATOM 139 OE2 GLU A 403 -6.470 24.563 0.142 1.00 10.31 O ATOM 0 H GLU A 403 -4.029 21.035 1.184 1.00 63.33 H new ATOM 0 HA GLU A 403 -5.457 19.199 -0.350 1.00 62.42 H new ATOM 0 HB2 GLU A 403 -6.671 21.164 -1.043 1.00 53.33 H new ATOM 0 HB3 GLU A 403 -6.242 21.346 0.647 1.00 53.33 H new ATOM 0 HG2 GLU A 403 -4.548 22.992 0.133 1.00 34.45 H new ATOM 0 HG3 GLU A 403 -4.656 22.666 -1.586 1.00 34.45 H new ATOM 146 N GLY A 404 -4.237 18.827 -2.479 1.00 14.33 N ATOM 147 CA GLY A 404 -3.594 18.646 -3.738 1.00 61.24 C ATOM 148 C GLY A 404 -3.109 17.209 -4.004 1.00 21.33 C ATOM 149 O GLY A 404 -3.637 16.540 -4.892 1.00 55.42 O ATOM 0 H GLY A 404 -4.716 18.005 -2.112 1.00 14.33 H new ATOM 0 HA2 GLY A 404 -4.285 18.936 -4.530 1.00 61.24 H new ATOM 0 HA3 GLY A 404 -2.740 19.321 -3.797 1.00 61.24 H new ATOM 153 N ALA A 405 -2.116 16.710 -3.243 1.00 4.21 N ATOM 154 CA ALA A 405 -1.531 15.398 -3.537 1.00 60.41 C ATOM 155 C ALA A 405 -2.173 14.274 -2.654 1.00 43.31 C ATOM 156 O ALA A 405 -1.963 14.256 -1.435 1.00 0.33 O ATOM 157 CB ALA A 405 -0.078 15.521 -3.131 1.00 52.33 C ATOM 0 H ALA A 405 -1.712 17.188 -2.437 1.00 4.21 H new ATOM 0 HA ALA A 405 -1.684 15.136 -4.584 1.00 60.41 H new ATOM 0 HB1 ALA A 405 0.434 14.577 -3.320 1.00 52.33 H new ATOM 0 HB2 ALA A 405 0.396 16.313 -3.711 1.00 52.33 H new ATOM 0 HB3 ALA A 405 -0.016 15.762 -2.070 1.00 52.33 H new ATOM 163 N ASN A 406 -2.945 13.341 -3.262 1.00 4.01 N ATOM 164 CA ASN A 406 -3.260 11.959 -2.683 1.00 33.12 C ATOM 165 C ASN A 406 -3.670 10.944 -3.812 1.00 44.10 C ATOM 166 O ASN A 406 -4.719 11.111 -4.437 1.00 61.24 O ATOM 167 CB ASN A 406 -4.343 12.127 -1.513 1.00 42.44 C ATOM 168 CG ASN A 406 -5.383 13.230 -1.730 1.00 43.33 C ATOM 169 OD1 ASN A 406 -5.906 13.391 -2.820 1.00 32.14 O ATOM 170 ND2 ASN A 406 -5.661 14.044 -0.690 1.00 63.33 N ATOM 0 H ASN A 406 -3.380 13.500 -4.171 1.00 4.01 H new ATOM 0 HA ASN A 406 -2.369 11.518 -2.236 1.00 33.12 H new ATOM 0 HB2 ASN A 406 -4.866 11.179 -1.387 1.00 42.44 H new ATOM 0 HB3 ASN A 406 -3.816 12.327 -0.580 1.00 42.44 H new ATOM 0 HD21 ASN A 406 -6.321 14.813 -0.807 1.00 63.33 H new ATOM 0 HD22 ASN A 406 -5.211 13.890 0.213 1.00 63.33 H new ATOM 177 N LEU A 407 -2.828 9.882 -4.081 1.00 31.44 N ATOM 178 CA LEU A 407 -3.120 8.856 -5.119 1.00 10.24 C ATOM 179 C LEU A 407 -3.341 7.436 -4.465 1.00 64.21 C ATOM 180 O LEU A 407 -2.379 6.902 -3.901 1.00 74.22 O ATOM 181 CB LEU A 407 -1.870 8.753 -6.053 1.00 11.14 C ATOM 182 CG LEU A 407 -1.399 10.005 -6.811 1.00 45.52 C ATOM 183 CD1 LEU A 407 -2.567 10.802 -7.411 1.00 42.51 C ATOM 184 CD2 LEU A 407 -0.519 10.874 -5.935 1.00 71.41 C ATOM 0 H LEU A 407 -1.949 9.728 -3.587 1.00 31.44 H new ATOM 0 HA LEU A 407 -4.020 9.146 -5.660 1.00 10.24 H new ATOM 0 HB2 LEU A 407 -1.035 8.402 -5.447 1.00 11.14 H new ATOM 0 HB3 LEU A 407 -2.075 7.979 -6.792 1.00 11.14 H new ATOM 0 HG LEU A 407 -0.798 9.661 -7.653 1.00 45.52 H new ATOM 0 HD11 LEU A 407 -2.180 11.676 -7.935 1.00 42.51 H new ATOM 0 HD12 LEU A 407 -3.116 10.172 -8.111 1.00 42.51 H new ATOM 0 HD13 LEU A 407 -3.235 11.125 -6.613 1.00 42.51 H new ATOM 0 HD21 LEU A 407 -0.200 11.752 -6.497 1.00 71.41 H new ATOM 0 HD22 LEU A 407 -1.080 11.190 -5.055 1.00 71.41 H new ATOM 0 HD23 LEU A 407 0.357 10.306 -5.622 1.00 71.41 H new ATOM 196 N PHE A 408 -4.555 6.794 -4.507 1.00 14.22 N ATOM 197 CA PHE A 408 -4.647 5.367 -4.031 1.00 11.41 C ATOM 198 C PHE A 408 -4.787 4.380 -5.219 1.00 74.13 C ATOM 199 O PHE A 408 -5.192 4.779 -6.316 1.00 54.32 O ATOM 200 CB PHE A 408 -5.693 5.087 -2.883 1.00 40.34 C ATOM 201 CG PHE A 408 -5.552 5.993 -1.652 1.00 63.52 C ATOM 202 CD1 PHE A 408 -4.295 6.328 -1.117 1.00 60.43 C ATOM 203 CD2 PHE A 408 -6.676 6.525 -1.041 1.00 74.43 C ATOM 204 CE1 PHE A 408 -4.171 7.189 -0.025 1.00 61.12 C ATOM 205 CE2 PHE A 408 -6.560 7.366 0.056 1.00 40.11 C ATOM 206 CZ PHE A 408 -5.313 7.696 0.563 1.00 33.22 C ATOM 0 H PHE A 408 -5.427 7.205 -4.840 1.00 14.22 H new ATOM 0 HA PHE A 408 -3.691 5.183 -3.541 1.00 11.41 H new ATOM 0 HB2 PHE A 408 -6.698 5.203 -3.289 1.00 40.34 H new ATOM 0 HB3 PHE A 408 -5.595 4.049 -2.566 1.00 40.34 H new ATOM 0 HD1 PHE A 408 -3.404 5.909 -1.562 1.00 60.43 H new ATOM 0 HD2 PHE A 408 -7.656 6.282 -1.424 1.00 74.43 H new ATOM 0 HE1 PHE A 408 -3.195 7.455 0.355 1.00 61.12 H new ATOM 0 HE2 PHE A 408 -7.449 7.767 0.519 1.00 40.11 H new ATOM 0 HZ PHE A 408 -5.234 8.350 1.419 1.00 33.22 H new ATOM 216 N ILE A 409 -4.439 3.089 -4.997 1.00 1.40 N ATOM 217 CA ILE A 409 -4.108 2.139 -6.144 1.00 72.52 C ATOM 218 C ILE A 409 -5.120 0.918 -6.069 1.00 50.53 C ATOM 219 O ILE A 409 -5.093 0.204 -5.068 1.00 64.22 O ATOM 220 CB ILE A 409 -2.571 1.558 -6.213 1.00 43.43 C ATOM 221 CG1 ILE A 409 -1.389 2.575 -6.520 1.00 74.04 C ATOM 222 CG2 ILE A 409 -2.440 0.523 -7.361 1.00 63.05 C ATOM 223 CD1 ILE A 409 -1.289 3.961 -5.892 1.00 50.41 C ATOM 0 H ILE A 409 -4.374 2.668 -4.070 1.00 1.40 H new ATOM 0 HA ILE A 409 -4.204 2.737 -7.050 1.00 72.52 H new ATOM 0 HB ILE A 409 -2.450 1.186 -5.196 1.00 43.43 H new ATOM 0 HG12 ILE A 409 -0.464 2.056 -6.268 1.00 74.04 H new ATOM 0 HG13 ILE A 409 -1.386 2.726 -7.600 1.00 74.04 H new ATOM 0 HG21 ILE A 409 -1.418 0.146 -7.396 1.00 63.05 H new ATOM 0 HG22 ILE A 409 -3.126 -0.305 -7.184 1.00 63.05 H new ATOM 0 HG23 ILE A 409 -2.684 1.000 -8.310 1.00 63.05 H new ATOM 0 HD11 ILE A 409 -0.394 4.463 -6.259 1.00 50.41 H new ATOM 0 HD12 ILE A 409 -2.169 4.546 -6.160 1.00 50.41 H new ATOM 0 HD13 ILE A 409 -1.233 3.866 -4.808 1.00 50.41 H new ATOM 235 N TYR A 410 -6.018 0.659 -7.092 1.00 21.53 N ATOM 236 CA TYR A 410 -6.845 -0.595 -7.114 1.00 42.44 C ATOM 237 C TYR A 410 -6.119 -1.648 -8.009 1.00 32.01 C ATOM 238 O TYR A 410 -5.458 -1.236 -8.972 1.00 3.33 O ATOM 239 CB TYR A 410 -8.280 -0.350 -7.735 1.00 63.35 C ATOM 240 CG TYR A 410 -9.423 0.354 -6.983 1.00 43.52 C ATOM 241 CD1 TYR A 410 -9.304 1.188 -5.868 1.00 3.24 C ATOM 242 CD2 TYR A 410 -10.705 0.181 -7.508 1.00 0.32 C ATOM 243 CE1 TYR A 410 -10.424 1.798 -5.323 1.00 42.12 C ATOM 244 CE2 TYR A 410 -11.805 0.784 -6.952 1.00 21.13 C ATOM 245 CZ TYR A 410 -11.667 1.591 -5.869 1.00 2.44 C ATOM 246 OH TYR A 410 -12.774 2.221 -5.334 1.00 63.13 O ATOM 0 H TYR A 410 -6.178 1.284 -7.882 1.00 21.53 H new ATOM 0 HA TYR A 410 -6.963 -0.936 -6.085 1.00 42.44 H new ATOM 0 HB2 TYR A 410 -8.124 0.215 -8.654 1.00 63.35 H new ATOM 0 HB3 TYR A 410 -8.661 -1.330 -8.024 1.00 63.35 H new ATOM 0 HD1 TYR A 410 -8.333 1.359 -5.427 1.00 3.24 H new ATOM 0 HD2 TYR A 410 -10.835 -0.446 -8.378 1.00 0.32 H new ATOM 0 HE1 TYR A 410 -10.318 2.441 -4.462 1.00 42.12 H new ATOM 0 HE2 TYR A 410 -12.783 0.616 -7.377 1.00 21.13 H new ATOM 0 HH TYR A 410 -13.573 1.965 -5.841 1.00 63.13 H new ATOM 256 N HIS A 411 -6.227 -2.996 -7.671 1.00 21.42 N ATOM 257 CA HIS A 411 -5.623 -4.121 -8.475 1.00 52.23 C ATOM 258 C HIS A 411 -4.095 -4.235 -8.348 1.00 41.53 C ATOM 259 O HIS A 411 -3.363 -3.853 -9.268 1.00 31.44 O ATOM 260 CB HIS A 411 -6.009 -4.093 -9.948 1.00 44.23 C ATOM 261 CG HIS A 411 -7.454 -4.368 -10.238 1.00 31.42 C ATOM 262 ND1 HIS A 411 -8.297 -5.058 -9.391 1.00 31.10 N ATOM 263 CD2 HIS A 411 -8.215 -3.991 -11.286 1.00 45.30 C ATOM 264 CE1 HIS A 411 -9.517 -5.061 -9.898 1.00 41.53 C ATOM 265 NE2 HIS A 411 -9.492 -4.424 -11.046 1.00 32.43 N ATOM 0 H HIS A 411 -6.730 -3.318 -6.844 1.00 21.42 H new ATOM 0 HA HIS A 411 -6.061 -5.010 -8.022 1.00 52.23 H new ATOM 0 HB2 HIS A 411 -5.754 -3.114 -10.355 1.00 44.23 H new ATOM 0 HB3 HIS A 411 -5.403 -4.827 -10.479 1.00 44.23 H new ATOM 0 HD2 HIS A 411 -7.879 -3.447 -12.156 1.00 45.30 H new ATOM 0 HE1 HIS A 411 -10.388 -5.511 -9.445 1.00 41.53 H new ATOM 0 HE2 HIS A 411 -10.293 -4.276 -11.659 1.00 32.43 H new ATOM 274 N LEU A 412 -3.609 -4.690 -7.185 1.00 30.42 N ATOM 275 CA LEU A 412 -2.178 -4.691 -6.907 1.00 53.24 C ATOM 276 C LEU A 412 -1.545 -5.894 -7.624 1.00 0.14 C ATOM 277 O LEU A 412 -1.992 -7.031 -7.389 1.00 62.41 O ATOM 278 CB LEU A 412 -1.903 -4.760 -5.363 1.00 4.42 C ATOM 279 CG LEU A 412 -0.422 -4.909 -4.935 1.00 54.14 C ATOM 280 CD1 LEU A 412 0.111 -3.683 -4.183 1.00 54.23 C ATOM 281 CD2 LEU A 412 -0.227 -6.174 -4.074 1.00 35.24 C ATOM 0 H LEU A 412 -4.187 -5.059 -6.430 1.00 30.42 H new ATOM 0 HA LEU A 412 -1.735 -3.765 -7.273 1.00 53.24 H new ATOM 0 HB2 LEU A 412 -2.302 -3.856 -4.904 1.00 4.42 H new ATOM 0 HB3 LEU A 412 -2.464 -5.600 -4.953 1.00 4.42 H new ATOM 0 HG LEU A 412 0.154 -4.999 -5.856 1.00 54.14 H new ATOM 0 HD11 LEU A 412 1.153 -3.848 -3.910 1.00 54.23 H new ATOM 0 HD12 LEU A 412 0.039 -2.804 -4.823 1.00 54.23 H new ATOM 0 HD13 LEU A 412 -0.480 -3.524 -3.281 1.00 54.23 H new ATOM 0 HD21 LEU A 412 0.820 -6.259 -3.784 1.00 35.24 H new ATOM 0 HD22 LEU A 412 -0.846 -6.104 -3.180 1.00 35.24 H new ATOM 0 HD23 LEU A 412 -0.517 -7.054 -4.649 1.00 35.24 H new ATOM 293 N PRO A 413 -0.555 -5.704 -8.550 1.00 43.31 N ATOM 294 CA PRO A 413 0.119 -6.836 -9.179 1.00 44.35 C ATOM 295 C PRO A 413 1.075 -7.644 -8.252 1.00 52.23 C ATOM 296 O PRO A 413 1.282 -7.296 -7.091 1.00 0.12 O ATOM 297 CB PRO A 413 0.764 -6.280 -10.404 1.00 42.21 C ATOM 298 CG PRO A 413 1.013 -4.858 -10.142 1.00 73.52 C ATOM 299 CD PRO A 413 -0.004 -4.398 -9.122 1.00 62.40 C ATOM 0 HA PRO A 413 -0.602 -7.613 -9.432 1.00 44.35 H new ATOM 0 HB2 PRO A 413 1.696 -6.802 -10.622 1.00 42.21 H new ATOM 0 HB3 PRO A 413 0.118 -6.406 -11.273 1.00 42.21 H new ATOM 0 HG2 PRO A 413 2.026 -4.709 -9.768 1.00 73.52 H new ATOM 0 HG3 PRO A 413 0.924 -4.278 -11.060 1.00 73.52 H new ATOM 0 HD2 PRO A 413 0.455 -3.783 -8.348 1.00 62.40 H new ATOM 0 HD3 PRO A 413 -0.790 -3.798 -9.581 1.00 62.40 H new ATOM 307 N GLN A 414 1.681 -8.683 -8.843 1.00 20.25 N ATOM 308 CA GLN A 414 1.978 -10.011 -8.283 1.00 14.41 C ATOM 309 C GLN A 414 2.191 -10.239 -6.738 1.00 21.02 C ATOM 310 O GLN A 414 1.338 -10.909 -6.161 1.00 44.04 O ATOM 311 CB GLN A 414 3.297 -10.398 -9.028 1.00 4.34 C ATOM 312 CG GLN A 414 4.266 -9.216 -9.396 1.00 4.21 C ATOM 313 CD GLN A 414 5.424 -9.009 -8.417 1.00 74.35 C ATOM 314 OE1 GLN A 414 5.890 -9.940 -7.783 1.00 62.43 O ATOM 315 NE2 GLN A 414 5.901 -7.773 -8.306 1.00 5.23 N ATOM 0 H GLN A 414 2.004 -8.611 -9.808 1.00 20.25 H new ATOM 0 HA GLN A 414 1.075 -10.604 -8.426 1.00 14.41 H new ATOM 0 HB2 GLN A 414 3.844 -11.107 -8.407 1.00 4.34 H new ATOM 0 HB3 GLN A 414 3.030 -10.919 -9.947 1.00 4.34 H new ATOM 0 HG2 GLN A 414 4.676 -9.397 -10.390 1.00 4.21 H new ATOM 0 HG3 GLN A 414 3.687 -8.294 -9.453 1.00 4.21 H new ATOM 0 HE21 GLN A 414 5.488 -7.016 -8.851 1.00 5.23 H new ATOM 0 HE22 GLN A 414 6.680 -7.582 -7.676 1.00 5.23 H new ATOM 324 N GLU A 415 3.234 -9.754 -6.039 1.00 12.53 N ATOM 325 CA GLU A 415 3.201 -9.774 -4.541 1.00 62.41 C ATOM 326 C GLU A 415 3.309 -8.372 -3.896 1.00 52.11 C ATOM 327 O GLU A 415 3.324 -8.301 -2.661 1.00 4.41 O ATOM 328 CB GLU A 415 4.195 -10.852 -3.933 1.00 62.34 C ATOM 329 CG GLU A 415 5.411 -10.351 -3.130 1.00 11.20 C ATOM 330 CD GLU A 415 6.707 -11.020 -3.502 1.00 4.11 C ATOM 331 OE1 GLU A 415 7.183 -10.815 -4.629 1.00 21.34 O ATOM 332 OE2 GLU A 415 7.262 -11.727 -2.646 1.00 73.24 O ATOM 0 H GLU A 415 4.079 -9.358 -6.451 1.00 12.53 H new ATOM 0 HA GLU A 415 2.202 -10.109 -4.263 1.00 62.41 H new ATOM 0 HB2 GLU A 415 3.616 -11.510 -3.285 1.00 62.34 H new ATOM 0 HB3 GLU A 415 4.568 -11.462 -4.756 1.00 62.34 H new ATOM 0 HG2 GLU A 415 5.513 -9.276 -3.278 1.00 11.20 H new ATOM 0 HG3 GLU A 415 5.223 -10.510 -2.068 1.00 11.20 H new ATOM 339 N PHE A 416 3.115 -7.279 -4.688 1.00 71.52 N ATOM 340 CA PHE A 416 3.934 -6.013 -4.511 1.00 41.30 C ATOM 341 C PHE A 416 3.878 -5.510 -3.014 1.00 41.24 C ATOM 342 O PHE A 416 2.866 -4.944 -2.598 1.00 10.33 O ATOM 343 CB PHE A 416 3.397 -4.829 -5.416 1.00 12.43 C ATOM 344 CG PHE A 416 4.108 -4.299 -6.651 1.00 24.40 C ATOM 345 CD1 PHE A 416 5.125 -4.932 -7.368 1.00 2.33 C ATOM 346 CD2 PHE A 416 3.682 -3.041 -7.086 1.00 11.54 C ATOM 347 CE1 PHE A 416 5.672 -4.325 -8.492 1.00 34.05 C ATOM 348 CE2 PHE A 416 4.217 -2.441 -8.208 1.00 63.05 C ATOM 349 CZ PHE A 416 5.218 -3.084 -8.915 1.00 62.21 C ATOM 0 H PHE A 416 2.424 -7.233 -5.437 1.00 71.52 H new ATOM 0 HA PHE A 416 4.953 -6.271 -4.800 1.00 41.30 H new ATOM 0 HB2 PHE A 416 2.402 -5.128 -5.745 1.00 12.43 H new ATOM 0 HB3 PHE A 416 3.269 -3.975 -4.751 1.00 12.43 H new ATOM 0 HD1 PHE A 416 5.488 -5.897 -7.048 1.00 2.33 H new ATOM 0 HD2 PHE A 416 2.914 -2.525 -6.529 1.00 11.54 H new ATOM 0 HE1 PHE A 416 6.457 -4.823 -9.041 1.00 34.05 H new ATOM 0 HE2 PHE A 416 3.857 -1.476 -8.532 1.00 63.05 H new ATOM 0 HZ PHE A 416 5.644 -2.621 -9.793 1.00 62.21 H new ATOM 359 N GLY A 417 4.952 -5.754 -2.193 1.00 74.14 N ATOM 360 CA GLY A 417 4.926 -5.426 -0.761 1.00 33.25 C ATOM 361 C GLY A 417 5.651 -4.101 -0.420 1.00 32.23 C ATOM 362 O GLY A 417 5.994 -3.365 -1.352 1.00 63.10 O ATOM 0 H GLY A 417 5.826 -6.172 -2.512 1.00 74.14 H new ATOM 0 HA2 GLY A 417 3.890 -5.360 -0.430 1.00 33.25 H new ATOM 0 HA3 GLY A 417 5.388 -6.239 -0.201 1.00 33.25 H new ATOM 366 N ASP A 418 5.867 -3.795 0.907 1.00 14.11 N ATOM 367 CA ASP A 418 6.430 -2.469 1.394 1.00 34.55 C ATOM 368 C ASP A 418 7.696 -1.992 0.625 1.00 24.41 C ATOM 369 O ASP A 418 7.740 -0.837 0.179 1.00 72.11 O ATOM 370 CB ASP A 418 6.704 -2.420 2.958 1.00 73.35 C ATOM 371 CG ASP A 418 7.332 -1.111 3.409 1.00 65.20 C ATOM 372 OD1 ASP A 418 6.616 -0.092 3.457 1.00 12.14 O ATOM 373 OD2 ASP A 418 8.540 -1.118 3.743 1.00 22.11 O ATOM 0 H ASP A 418 5.661 -4.447 1.664 1.00 14.11 H new ATOM 0 HA ASP A 418 5.624 -1.769 1.171 1.00 34.55 H new ATOM 0 HB2 ASP A 418 5.765 -2.569 3.491 1.00 73.35 H new ATOM 0 HB3 ASP A 418 7.361 -3.246 3.233 1.00 73.35 H new ATOM 378 N GLN A 419 8.686 -2.890 0.450 1.00 35.43 N ATOM 379 CA GLN A 419 9.967 -2.555 -0.186 1.00 33.00 C ATOM 380 C GLN A 419 9.825 -2.052 -1.633 1.00 70.21 C ATOM 381 O GLN A 419 10.496 -1.083 -1.988 1.00 1.31 O ATOM 382 CB GLN A 419 10.986 -3.726 -0.121 1.00 0.42 C ATOM 383 CG GLN A 419 10.660 -4.950 -1.033 1.00 54.34 C ATOM 384 CD GLN A 419 11.749 -5.297 -2.048 1.00 32.25 C ATOM 385 OE1 GLN A 419 11.901 -6.464 -2.407 1.00 11.54 O ATOM 386 NE2 GLN A 419 12.490 -4.310 -2.545 1.00 72.14 N ATOM 0 H GLN A 419 8.616 -3.864 0.746 1.00 35.43 H new ATOM 0 HA GLN A 419 10.358 -1.726 0.404 1.00 33.00 H new ATOM 0 HB2 GLN A 419 11.970 -3.344 -0.393 1.00 0.42 H new ATOM 0 HB3 GLN A 419 11.052 -4.071 0.911 1.00 0.42 H new ATOM 0 HG2 GLN A 419 10.481 -5.820 -0.401 1.00 54.34 H new ATOM 0 HG3 GLN A 419 9.733 -4.750 -1.569 1.00 54.34 H new ATOM 0 HE21 GLN A 419 12.342 -3.352 -2.229 1.00 72.14 H new ATOM 0 HE22 GLN A 419 13.206 -4.512 -3.242 1.00 72.14 H new ATOM 395 N ASP A 420 8.952 -2.677 -2.459 1.00 14.32 N ATOM 396 CA ASP A 420 8.860 -2.283 -3.878 1.00 22.21 C ATOM 397 C ASP A 420 8.323 -0.858 -4.067 1.00 14.33 C ATOM 398 O ASP A 420 8.907 -0.105 -4.849 1.00 50.42 O ATOM 399 CB ASP A 420 8.060 -3.265 -4.763 1.00 1.34 C ATOM 400 CG ASP A 420 6.877 -2.647 -5.445 1.00 34.40 C ATOM 401 OD1 ASP A 420 5.798 -2.614 -4.819 1.00 62.14 O ATOM 402 OD2 ASP A 420 7.044 -2.156 -6.577 1.00 72.24 O ATOM 0 H ASP A 420 8.324 -3.429 -2.177 1.00 14.32 H new ATOM 0 HA ASP A 420 9.895 -2.317 -4.219 1.00 22.21 H new ATOM 0 HB2 ASP A 420 8.726 -3.681 -5.519 1.00 1.34 H new ATOM 0 HB3 ASP A 420 7.718 -4.097 -4.147 1.00 1.34 H new ATOM 407 N ILE A 421 7.203 -0.508 -3.366 1.00 30.11 N ATOM 408 CA ILE A 421 6.458 0.751 -3.618 1.00 53.23 C ATOM 409 C ILE A 421 7.332 1.996 -3.341 1.00 24.34 C ATOM 410 O ILE A 421 7.045 3.098 -3.831 1.00 34.33 O ATOM 411 CB ILE A 421 5.056 0.797 -2.801 1.00 61.01 C ATOM 412 CG1 ILE A 421 3.806 0.879 -3.748 1.00 15.52 C ATOM 413 CG2 ILE A 421 4.963 1.867 -1.698 1.00 25.31 C ATOM 414 CD1 ILE A 421 2.512 1.521 -3.209 1.00 50.40 C ATOM 0 H ILE A 421 6.802 -1.083 -2.625 1.00 30.11 H new ATOM 0 HA ILE A 421 6.205 0.769 -4.678 1.00 53.23 H new ATOM 0 HB ILE A 421 5.046 -0.161 -2.281 1.00 61.01 H new ATOM 0 HG12 ILE A 421 4.102 1.431 -4.640 1.00 15.52 H new ATOM 0 HG13 ILE A 421 3.565 -0.135 -4.066 1.00 15.52 H new ATOM 0 HG21 ILE A 421 3.987 1.810 -1.217 1.00 25.31 H new ATOM 0 HG22 ILE A 421 5.743 1.694 -0.957 1.00 25.31 H new ATOM 0 HG23 ILE A 421 5.093 2.856 -2.138 1.00 25.31 H new ATOM 0 HD11 ILE A 421 1.745 1.500 -3.984 1.00 50.40 H new ATOM 0 HD12 ILE A 421 2.164 0.964 -2.339 1.00 50.40 H new ATOM 0 HD13 ILE A 421 2.710 2.554 -2.922 1.00 50.40 H new ATOM 426 N LEU A 422 8.448 1.791 -2.622 1.00 31.22 N ATOM 427 CA LEU A 422 9.262 2.869 -2.168 1.00 51.14 C ATOM 428 C LEU A 422 10.271 3.240 -3.299 1.00 3.11 C ATOM 429 O LEU A 422 10.636 4.400 -3.474 1.00 45.14 O ATOM 430 CB LEU A 422 9.958 2.510 -0.784 1.00 4.44 C ATOM 431 CG LEU A 422 10.977 3.539 -0.201 1.00 31.34 C ATOM 432 CD1 LEU A 422 10.396 4.946 0.032 1.00 30.10 C ATOM 433 CD2 LEU A 422 11.566 3.089 1.136 1.00 20.14 C ATOM 0 H LEU A 422 8.788 0.868 -2.354 1.00 31.22 H new ATOM 0 HA LEU A 422 8.654 3.750 -1.963 1.00 51.14 H new ATOM 0 HB2 LEU A 422 9.174 2.357 -0.043 1.00 4.44 H new ATOM 0 HB3 LEU A 422 10.474 1.557 -0.904 1.00 4.44 H new ATOM 0 HG LEU A 422 11.742 3.586 -0.976 1.00 31.34 H new ATOM 0 HD11 LEU A 422 11.170 5.597 0.438 1.00 30.10 H new ATOM 0 HD12 LEU A 422 10.039 5.353 -0.914 1.00 30.10 H new ATOM 0 HD13 LEU A 422 9.567 4.885 0.737 1.00 30.10 H new ATOM 0 HD21 LEU A 422 12.268 3.841 1.496 1.00 20.14 H new ATOM 0 HD22 LEU A 422 10.764 2.964 1.863 1.00 20.14 H new ATOM 0 HD23 LEU A 422 12.087 2.141 1.003 1.00 20.14 H new ATOM 445 N GLN A 423 10.679 2.217 -4.069 1.00 73.01 N ATOM 446 CA GLN A 423 11.613 2.368 -5.237 1.00 2.11 C ATOM 447 C GLN A 423 10.891 2.648 -6.573 1.00 72.11 C ATOM 448 O GLN A 423 11.292 3.554 -7.298 1.00 22.33 O ATOM 449 CB GLN A 423 12.496 1.097 -5.477 1.00 21.33 C ATOM 450 CG GLN A 423 13.463 0.682 -4.361 1.00 24.01 C ATOM 451 CD GLN A 423 13.473 -0.839 -4.063 1.00 71.32 C ATOM 452 OE1 GLN A 423 14.506 -1.358 -3.634 1.00 75.13 O ATOM 453 NE2 GLN A 423 12.364 -1.597 -4.274 1.00 50.32 N ATOM 0 H GLN A 423 10.380 1.254 -3.913 1.00 73.01 H new ATOM 0 HA GLN A 423 12.227 3.223 -4.955 1.00 2.11 H new ATOM 0 HB2 GLN A 423 11.829 0.257 -5.673 1.00 21.33 H new ATOM 0 HB3 GLN A 423 13.079 1.260 -6.383 1.00 21.33 H new ATOM 0 HG2 GLN A 423 14.471 0.994 -4.634 1.00 24.01 H new ATOM 0 HG3 GLN A 423 13.199 1.218 -3.449 1.00 24.01 H new ATOM 0 HE21 GLN A 423 11.511 -1.165 -4.629 1.00 50.32 H new ATOM 0 HE22 GLN A 423 12.385 -2.598 -4.077 1.00 50.32 H new ATOM 462 N MET A 424 9.882 1.830 -6.931 1.00 50.33 N ATOM 463 CA MET A 424 9.233 1.937 -8.290 1.00 13.13 C ATOM 464 C MET A 424 8.438 3.288 -8.448 1.00 74.12 C ATOM 465 O MET A 424 8.096 3.666 -9.566 1.00 54.13 O ATOM 466 CB MET A 424 8.377 0.644 -8.727 1.00 2.33 C ATOM 467 CG MET A 424 8.012 0.476 -10.265 1.00 74.14 C ATOM 468 SD MET A 424 9.471 0.405 -11.341 1.00 22.14 S ATOM 469 CE MET A 424 9.640 2.100 -11.914 1.00 33.03 C ATOM 0 H MET A 424 9.494 1.102 -6.331 1.00 50.33 H new ATOM 0 HA MET A 424 10.054 1.959 -9.006 1.00 13.13 H new ATOM 0 HB2 MET A 424 8.929 -0.243 -8.416 1.00 2.33 H new ATOM 0 HB3 MET A 424 7.445 0.654 -8.162 1.00 2.33 H new ATOM 0 HG2 MET A 424 7.427 -0.435 -10.396 1.00 74.14 H new ATOM 0 HG3 MET A 424 7.380 1.308 -10.575 1.00 74.14 H new ATOM 0 HE1 MET A 424 10.104 2.106 -12.900 1.00 33.03 H new ATOM 0 HE2 MET A 424 8.655 2.564 -11.973 1.00 33.03 H new ATOM 0 HE3 MET A 424 10.263 2.659 -11.216 1.00 33.03 H new ATOM 479 N PHE A 425 8.140 4.034 -7.349 1.00 62.01 N ATOM 480 CA PHE A 425 7.529 5.370 -7.496 1.00 52.32 C ATOM 481 C PHE A 425 8.577 6.526 -7.243 1.00 32.03 C ATOM 482 O PHE A 425 8.236 7.695 -7.348 1.00 72.12 O ATOM 483 CB PHE A 425 6.246 5.434 -6.618 1.00 73.30 C ATOM 484 CG PHE A 425 4.887 5.159 -7.325 1.00 73.21 C ATOM 485 CD1 PHE A 425 4.506 3.861 -7.723 1.00 3.02 C ATOM 486 CD2 PHE A 425 3.964 6.199 -7.596 1.00 30.44 C ATOM 487 CE1 PHE A 425 3.287 3.622 -8.343 1.00 20.25 C ATOM 488 CE2 PHE A 425 2.764 5.932 -8.206 1.00 63.40 C ATOM 489 CZ PHE A 425 2.434 4.661 -8.581 1.00 13.11 C ATOM 0 H PHE A 425 8.308 3.740 -6.387 1.00 62.01 H new ATOM 0 HA PHE A 425 7.214 5.536 -8.526 1.00 52.32 H new ATOM 0 HB2 PHE A 425 6.356 4.715 -5.806 1.00 73.30 H new ATOM 0 HB3 PHE A 425 6.196 6.423 -6.164 1.00 73.30 H new ATOM 0 HD1 PHE A 425 5.177 3.035 -7.542 1.00 3.02 H new ATOM 0 HD2 PHE A 425 4.208 7.214 -7.319 1.00 30.44 H new ATOM 0 HE1 PHE A 425 3.015 2.619 -8.636 1.00 20.25 H new ATOM 0 HE2 PHE A 425 2.071 6.739 -8.392 1.00 63.40 H new ATOM 0 HZ PHE A 425 1.489 4.476 -9.070 1.00 13.11 H new ATOM 499 N MET A 426 9.862 6.172 -6.925 1.00 53.04 N ATOM 500 CA MET A 426 10.909 7.120 -6.454 1.00 14.45 C ATOM 501 C MET A 426 11.413 8.175 -7.494 1.00 62.12 C ATOM 502 O MET A 426 11.579 9.326 -7.084 1.00 32.23 O ATOM 503 CB MET A 426 12.137 6.336 -5.940 1.00 24.23 C ATOM 504 CG MET A 426 12.746 6.827 -4.631 1.00 11.02 C ATOM 505 SD MET A 426 13.591 8.425 -4.730 1.00 42.33 S ATOM 506 CE MET A 426 12.538 9.436 -3.685 1.00 51.53 C ATOM 0 H MET A 426 10.196 5.211 -6.991 1.00 53.04 H new ATOM 0 HA MET A 426 10.409 7.688 -5.670 1.00 14.45 H new ATOM 0 HB2 MET A 426 11.850 5.292 -5.815 1.00 24.23 H new ATOM 0 HB3 MET A 426 12.909 6.364 -6.709 1.00 24.23 H new ATOM 0 HG2 MET A 426 11.955 6.897 -3.884 1.00 11.02 H new ATOM 0 HG3 MET A 426 13.455 6.080 -4.275 1.00 11.02 H new ATOM 0 HE1 MET A 426 12.931 10.452 -3.647 1.00 51.53 H new ATOM 0 HE2 MET A 426 11.528 9.452 -4.094 1.00 51.53 H new ATOM 0 HE3 MET A 426 12.515 9.018 -2.679 1.00 51.53 H new ATOM 516 N PRO A 427 11.733 7.839 -8.819 1.00 34.15 N ATOM 517 CA PRO A 427 12.320 8.804 -9.827 1.00 32.32 C ATOM 518 C PRO A 427 11.526 10.151 -10.080 1.00 62.23 C ATOM 519 O PRO A 427 11.925 10.908 -10.953 1.00 31.53 O ATOM 520 CB PRO A 427 12.411 7.921 -11.109 1.00 75.35 C ATOM 521 CG PRO A 427 11.360 6.912 -10.890 1.00 73.22 C ATOM 522 CD PRO A 427 11.632 6.510 -9.485 1.00 51.12 C ATOM 0 HA PRO A 427 13.267 9.207 -9.467 1.00 32.32 H new ATOM 0 HB2 PRO A 427 12.231 8.502 -12.013 1.00 75.35 H new ATOM 0 HB3 PRO A 427 13.395 7.463 -11.215 1.00 75.35 H new ATOM 0 HG2 PRO A 427 10.360 7.327 -11.013 1.00 73.22 H new ATOM 0 HG3 PRO A 427 11.444 6.074 -11.581 1.00 73.22 H new ATOM 0 HD2 PRO A 427 10.830 5.901 -9.069 1.00 51.12 H new ATOM 0 HD3 PRO A 427 12.552 5.932 -9.393 1.00 51.12 H new ATOM 530 N PHE A 428 10.412 10.432 -9.351 1.00 23.22 N ATOM 531 CA PHE A 428 9.748 11.779 -9.387 1.00 32.33 C ATOM 532 C PHE A 428 9.750 12.619 -8.032 1.00 21.13 C ATOM 533 O PHE A 428 9.279 13.757 -8.073 1.00 72.21 O ATOM 534 CB PHE A 428 8.303 11.779 -10.016 1.00 32.33 C ATOM 535 CG PHE A 428 7.825 10.548 -10.787 1.00 22.01 C ATOM 536 CD1 PHE A 428 8.018 10.458 -12.167 1.00 0.03 C ATOM 537 CD2 PHE A 428 7.096 9.539 -10.163 1.00 74.34 C ATOM 538 CE1 PHE A 428 7.505 9.386 -12.892 1.00 40.11 C ATOM 539 CE2 PHE A 428 6.596 8.458 -10.886 1.00 34.53 C ATOM 540 CZ PHE A 428 6.794 8.393 -12.248 1.00 20.22 C ATOM 0 H PHE A 428 9.954 9.758 -8.737 1.00 23.22 H new ATOM 0 HA PHE A 428 10.422 12.305 -10.063 1.00 32.33 H new ATOM 0 HB2 PHE A 428 7.593 11.956 -9.208 1.00 32.33 H new ATOM 0 HB3 PHE A 428 8.238 12.634 -10.690 1.00 32.33 H new ATOM 0 HD1 PHE A 428 8.573 11.230 -12.679 1.00 0.03 H new ATOM 0 HD2 PHE A 428 6.915 9.595 -9.100 1.00 74.34 H new ATOM 0 HE1 PHE A 428 7.663 9.331 -13.959 1.00 40.11 H new ATOM 0 HE2 PHE A 428 6.054 7.673 -10.380 1.00 34.53 H new ATOM 0 HZ PHE A 428 6.393 7.564 -12.812 1.00 20.22 H new ATOM 550 N GLY A 429 10.256 12.134 -6.850 1.00 3.12 N ATOM 551 CA GLY A 429 10.594 13.051 -5.741 1.00 13.31 C ATOM 552 C GLY A 429 10.140 12.614 -4.333 1.00 23.12 C ATOM 553 O GLY A 429 9.819 11.441 -4.133 1.00 71.04 O ATOM 0 H GLY A 429 10.429 11.147 -6.658 1.00 3.12 H new ATOM 0 HA2 GLY A 429 11.676 13.186 -5.726 1.00 13.31 H new ATOM 0 HA3 GLY A 429 10.154 14.025 -5.956 1.00 13.31 H new ATOM 557 N ASN A 430 10.107 13.571 -3.357 1.00 72.21 N ATOM 558 CA ASN A 430 10.113 13.233 -1.904 1.00 74.50 C ATOM 559 C ASN A 430 8.750 12.655 -1.398 1.00 3.53 C ATOM 560 O ASN A 430 7.690 13.275 -1.552 1.00 50.45 O ATOM 561 CB ASN A 430 10.585 14.431 -1.008 1.00 54.31 C ATOM 562 CG ASN A 430 9.649 15.635 -0.945 1.00 34.44 C ATOM 563 OD1 ASN A 430 9.022 16.024 -1.935 1.00 21.04 O ATOM 564 ND2 ASN A 430 9.533 16.223 0.247 1.00 34.20 N ATOM 0 H ASN A 430 10.076 14.572 -3.550 1.00 72.21 H new ATOM 0 HA ASN A 430 10.850 12.436 -1.802 1.00 74.50 H new ATOM 0 HB2 ASN A 430 10.737 14.061 0.006 1.00 54.31 H new ATOM 0 HB3 ASN A 430 11.555 14.770 -1.372 1.00 54.31 H new ATOM 0 HD21 ASN A 430 8.910 17.022 0.363 1.00 34.20 H new ATOM 0 HD22 ASN A 430 10.067 15.873 1.042 1.00 34.20 H new ATOM 571 N VAL A 431 8.795 11.427 -0.844 1.00 22.40 N ATOM 572 CA VAL A 431 7.590 10.638 -0.524 1.00 23.23 C ATOM 573 C VAL A 431 7.392 10.419 1.030 1.00 23.31 C ATOM 574 O VAL A 431 8.359 10.074 1.714 1.00 24.45 O ATOM 575 CB VAL A 431 7.710 9.343 -1.393 1.00 35.11 C ATOM 576 CG1 VAL A 431 9.004 8.600 -1.192 1.00 71.31 C ATOM 577 CG2 VAL A 431 6.571 8.348 -1.273 1.00 4.14 C ATOM 0 H VAL A 431 9.667 10.955 -0.606 1.00 22.40 H new ATOM 0 HA VAL A 431 6.666 11.157 -0.777 1.00 23.23 H new ATOM 0 HB VAL A 431 7.668 9.763 -2.398 1.00 35.11 H new ATOM 0 HG11 VAL A 431 9.017 7.714 -1.826 1.00 71.31 H new ATOM 0 HG12 VAL A 431 9.840 9.247 -1.456 1.00 71.31 H new ATOM 0 HG13 VAL A 431 9.093 8.300 -0.148 1.00 71.31 H new ATOM 0 HG21 VAL A 431 6.765 7.493 -1.920 1.00 4.14 H new ATOM 0 HG22 VAL A 431 6.490 8.010 -0.240 1.00 4.14 H new ATOM 0 HG23 VAL A 431 5.638 8.825 -1.572 1.00 4.14 H new ATOM 587 N ILE A 432 6.150 10.626 1.606 1.00 1.31 N ATOM 588 CA ILE A 432 5.963 10.633 3.087 1.00 13.41 C ATOM 589 C ILE A 432 5.217 9.347 3.658 1.00 21.20 C ATOM 590 O ILE A 432 5.348 9.054 4.853 1.00 52.23 O ATOM 591 CB ILE A 432 5.187 11.916 3.641 1.00 4.21 C ATOM 592 CG1 ILE A 432 5.167 13.150 2.706 1.00 25.04 C ATOM 593 CG2 ILE A 432 5.792 12.379 4.950 1.00 71.12 C ATOM 594 CD1 ILE A 432 4.507 14.416 3.312 1.00 54.23 C ATOM 0 H ILE A 432 5.295 10.785 1.073 1.00 1.31 H new ATOM 0 HA ILE A 432 6.993 10.645 3.444 1.00 13.41 H new ATOM 0 HB ILE A 432 4.161 11.563 3.742 1.00 4.21 H new ATOM 0 HG12 ILE A 432 6.192 13.391 2.425 1.00 25.04 H new ATOM 0 HG13 ILE A 432 4.639 12.885 1.790 1.00 25.04 H new ATOM 0 HG21 ILE A 432 5.251 13.253 5.312 1.00 71.12 H new ATOM 0 HG22 ILE A 432 5.722 11.578 5.686 1.00 71.12 H new ATOM 0 HG23 ILE A 432 6.839 12.639 4.795 1.00 71.12 H new ATOM 0 HD11 ILE A 432 4.540 15.227 2.585 1.00 54.23 H new ATOM 0 HD12 ILE A 432 3.470 14.199 3.567 1.00 54.23 H new ATOM 0 HD13 ILE A 432 5.047 14.713 4.211 1.00 54.23 H new ATOM 606 N SER A 433 4.431 8.598 2.826 1.00 4.52 N ATOM 607 CA SER A 433 3.599 7.435 3.273 1.00 74.51 C ATOM 608 C SER A 433 3.737 6.195 2.321 1.00 23.14 C ATOM 609 O SER A 433 3.591 6.324 1.101 1.00 1.14 O ATOM 610 CB SER A 433 2.111 7.933 3.307 1.00 61.24 C ATOM 611 OG SER A 433 1.960 9.035 4.192 1.00 32.21 O ATOM 0 H SER A 433 4.356 8.784 1.826 1.00 4.52 H new ATOM 0 HA SER A 433 3.937 7.098 4.253 1.00 74.51 H new ATOM 0 HB2 SER A 433 1.798 8.223 2.304 1.00 61.24 H new ATOM 0 HB3 SER A 433 1.459 7.118 3.621 1.00 61.24 H new ATOM 0 HG SER A 433 1.025 9.327 4.194 1.00 32.21 H new ATOM 617 N ALA A 434 4.049 5.001 2.922 1.00 34.13 N ATOM 618 CA ALA A 434 3.997 3.657 2.228 1.00 2.53 C ATOM 619 C ALA A 434 3.424 2.514 3.185 1.00 73.13 C ATOM 620 O ALA A 434 4.046 2.249 4.210 1.00 62.10 O ATOM 621 CB ALA A 434 5.396 3.247 1.707 1.00 23.41 C ATOM 0 H ALA A 434 4.343 4.937 3.897 1.00 34.13 H new ATOM 0 HA ALA A 434 3.318 3.765 1.382 1.00 2.53 H new ATOM 0 HB1 ALA A 434 5.330 2.278 1.213 1.00 23.41 H new ATOM 0 HB2 ALA A 434 5.753 3.993 0.997 1.00 23.41 H new ATOM 0 HB3 ALA A 434 6.091 3.181 2.544 1.00 23.41 H new ATOM 627 N LYS A 435 2.239 1.853 2.881 1.00 65.12 N ATOM 628 CA LYS A 435 1.716 0.680 3.676 1.00 61.40 C ATOM 629 C LYS A 435 0.786 -0.252 2.780 1.00 32.13 C ATOM 630 O LYS A 435 0.003 0.275 1.983 1.00 53.31 O ATOM 631 CB LYS A 435 0.996 1.128 5.028 1.00 23.05 C ATOM 632 CG LYS A 435 -0.314 1.944 4.994 1.00 64.33 C ATOM 633 CD LYS A 435 -1.545 1.050 4.820 1.00 12.02 C ATOM 634 CE LYS A 435 -2.893 1.783 4.809 1.00 21.14 C ATOM 635 NZ LYS A 435 -3.050 2.811 5.881 1.00 4.23 N ATOM 0 H LYS A 435 1.640 2.116 2.098 1.00 65.12 H new ATOM 0 HA LYS A 435 2.580 0.088 3.979 1.00 61.40 H new ATOM 0 HB2 LYS A 435 0.794 0.221 5.598 1.00 23.05 H new ATOM 0 HB3 LYS A 435 1.720 1.709 5.599 1.00 23.05 H new ATOM 0 HG2 LYS A 435 -0.409 2.515 5.918 1.00 64.33 H new ATOM 0 HG3 LYS A 435 -0.271 2.664 4.177 1.00 64.33 H new ATOM 0 HD2 LYS A 435 -1.443 0.498 3.886 1.00 12.02 H new ATOM 0 HD3 LYS A 435 -1.556 0.315 5.625 1.00 12.02 H new ATOM 0 HE2 LYS A 435 -3.022 2.265 3.840 1.00 21.14 H new ATOM 0 HE3 LYS A 435 -3.692 1.048 4.908 1.00 21.14 H new ATOM 0 HZ1 LYS A 435 -4.039 2.829 6.203 1.00 4.23 H new ATOM 0 HZ2 LYS A 435 -2.429 2.575 6.681 1.00 4.23 H new ATOM 0 HZ3 LYS A 435 -2.792 3.746 5.506 1.00 4.23 H new ATOM 649 N VAL A 436 0.893 -1.630 2.870 1.00 25.02 N ATOM 650 CA VAL A 436 -0.164 -2.554 2.313 1.00 65.20 C ATOM 651 C VAL A 436 -0.946 -3.157 3.544 1.00 74.50 C ATOM 652 O VAL A 436 -0.624 -4.216 4.079 1.00 22.50 O ATOM 653 CB VAL A 436 0.492 -3.691 1.336 1.00 34.41 C ATOM 654 CG1 VAL A 436 -0.371 -4.953 1.094 1.00 21.34 C ATOM 655 CG2 VAL A 436 0.858 -3.185 -0.080 1.00 1.54 C ATOM 0 H VAL A 436 1.678 -2.110 3.310 1.00 25.02 H new ATOM 0 HA VAL A 436 -0.864 -2.016 1.674 1.00 65.20 H new ATOM 0 HB VAL A 436 1.378 -3.944 1.918 1.00 34.41 H new ATOM 0 HG11 VAL A 436 0.162 -5.637 0.433 1.00 21.34 H new ATOM 0 HG12 VAL A 436 -0.568 -5.447 2.045 1.00 21.34 H new ATOM 0 HG13 VAL A 436 -1.316 -4.665 0.633 1.00 21.34 H new ATOM 0 HG21 VAL A 436 1.286 -4.003 -0.659 1.00 1.54 H new ATOM 0 HG22 VAL A 436 -0.039 -2.818 -0.578 1.00 1.54 H new ATOM 0 HG23 VAL A 436 1.585 -2.377 -0.001 1.00 1.54 H new ATOM 665 N PHE A 437 -1.881 -2.326 4.079 1.00 32.51 N ATOM 666 CA PHE A 437 -3.077 -2.699 4.886 1.00 4.11 C ATOM 667 C PHE A 437 -4.390 -2.103 4.292 1.00 72.24 C ATOM 668 O PHE A 437 -4.338 -1.094 3.594 1.00 5.44 O ATOM 669 CB PHE A 437 -2.953 -2.298 6.379 1.00 41.34 C ATOM 670 CG PHE A 437 -2.517 -3.416 7.326 1.00 45.43 C ATOM 671 CD1 PHE A 437 -3.413 -4.393 7.782 1.00 32.13 C ATOM 672 CD2 PHE A 437 -1.207 -3.476 7.782 1.00 62.51 C ATOM 673 CE1 PHE A 437 -2.995 -5.392 8.655 1.00 60.22 C ATOM 674 CE2 PHE A 437 -0.795 -4.472 8.648 1.00 62.35 C ATOM 675 CZ PHE A 437 -1.688 -5.427 9.078 1.00 75.31 C ATOM 0 H PHE A 437 -1.817 -1.316 3.951 1.00 32.51 H new ATOM 0 HA PHE A 437 -3.127 -3.787 4.837 1.00 4.11 H new ATOM 0 HB2 PHE A 437 -2.239 -1.478 6.459 1.00 41.34 H new ATOM 0 HB3 PHE A 437 -3.916 -1.915 6.716 1.00 41.34 H new ATOM 0 HD1 PHE A 437 -4.441 -4.370 7.451 1.00 32.13 H new ATOM 0 HD2 PHE A 437 -0.497 -2.731 7.454 1.00 62.51 H new ATOM 0 HE1 PHE A 437 -3.696 -6.138 8.999 1.00 60.22 H new ATOM 0 HE2 PHE A 437 0.230 -4.501 8.988 1.00 62.35 H new ATOM 0 HZ PHE A 437 -1.360 -6.206 9.750 1.00 75.31 H new ATOM 866 N GLY A 449 -2.940 -0.682 -2.124 1.00 5.34 N ATOM 867 CA GLY A 449 -1.776 0.103 -1.560 1.00 14.51 C ATOM 868 C GLY A 449 -1.764 1.608 -1.778 1.00 52.03 C ATOM 869 O GLY A 449 -2.238 2.129 -2.784 1.00 1.24 O ATOM 0 HA2 GLY A 449 -1.737 -0.080 -0.486 1.00 14.51 H new ATOM 0 HA3 GLY A 449 -0.859 -0.305 -1.986 1.00 14.51 H new ATOM 873 N PHE A 450 -1.195 2.292 -0.748 1.00 10.32 N ATOM 874 CA PHE A 450 -1.311 3.758 -0.561 1.00 61.10 C ATOM 875 C PHE A 450 0.066 4.510 -0.819 1.00 62.13 C ATOM 876 O PHE A 450 1.008 4.264 -0.059 1.00 2.00 O ATOM 877 CB PHE A 450 -1.818 3.945 0.913 1.00 62.40 C ATOM 878 CG PHE A 450 -3.222 3.412 1.201 1.00 61.02 C ATOM 879 CD1 PHE A 450 -3.523 2.069 1.115 1.00 61.21 C ATOM 880 CD2 PHE A 450 -4.228 4.256 1.611 1.00 73.31 C ATOM 881 CE1 PHE A 450 -4.753 1.574 1.404 1.00 54.30 C ATOM 882 CE2 PHE A 450 -5.474 3.764 1.894 1.00 3.45 C ATOM 883 CZ PHE A 450 -5.729 2.420 1.794 1.00 52.12 C ATOM 0 H PHE A 450 -0.641 1.836 -0.023 1.00 10.32 H new ATOM 0 HA PHE A 450 -2.000 4.198 -1.282 1.00 61.10 H new ATOM 0 HB2 PHE A 450 -1.116 3.451 1.585 1.00 62.40 H new ATOM 0 HB3 PHE A 450 -1.796 5.008 1.154 1.00 62.40 H new ATOM 0 HD1 PHE A 450 -2.748 1.383 0.805 1.00 61.21 H new ATOM 0 HD2 PHE A 450 -4.034 5.314 1.710 1.00 73.31 H new ATOM 0 HE1 PHE A 450 -4.948 0.515 1.323 1.00 54.30 H new ATOM 0 HE2 PHE A 450 -6.261 4.438 2.198 1.00 3.45 H new ATOM 0 HZ PHE A 450 -6.712 2.039 2.028 1.00 52.12 H new ATOM 893 N VAL A 451 0.219 5.415 -1.881 1.00 53.21 N ATOM 894 CA VAL A 451 1.448 6.264 -2.007 1.00 0.14 C ATOM 895 C VAL A 451 1.033 7.771 -1.993 1.00 62.11 C ATOM 896 O VAL A 451 0.131 8.155 -2.741 1.00 0.44 O ATOM 897 CB VAL A 451 2.262 6.046 -3.343 1.00 44.52 C ATOM 898 CG1 VAL A 451 3.687 5.610 -3.084 1.00 35.42 C ATOM 899 CG2 VAL A 451 1.568 5.145 -4.349 1.00 34.00 C ATOM 0 H VAL A 451 -0.472 5.555 -2.618 1.00 53.21 H new ATOM 0 HA VAL A 451 2.082 5.975 -1.169 1.00 0.14 H new ATOM 0 HB VAL A 451 2.302 7.029 -3.812 1.00 44.52 H new ATOM 0 HG11 VAL A 451 4.204 5.474 -4.034 1.00 35.42 H new ATOM 0 HG12 VAL A 451 4.200 6.372 -2.498 1.00 35.42 H new ATOM 0 HG13 VAL A 451 3.685 4.669 -2.533 1.00 35.42 H new ATOM 0 HG21 VAL A 451 2.190 5.045 -5.238 1.00 34.00 H new ATOM 0 HG22 VAL A 451 1.407 4.162 -3.907 1.00 34.00 H new ATOM 0 HG23 VAL A 451 0.608 5.580 -4.625 1.00 34.00 H new ATOM 909 N SER A 452 1.669 8.642 -1.172 1.00 22.10 N ATOM 910 CA SER A 452 1.262 10.043 -1.059 1.00 62.41 C ATOM 911 C SER A 452 2.554 11.016 -1.166 1.00 24.31 C ATOM 912 O SER A 452 3.539 10.748 -0.462 1.00 14.34 O ATOM 913 CB SER A 452 0.461 10.121 0.294 1.00 12.12 C ATOM 914 OG SER A 452 0.431 8.868 0.942 1.00 5.01 O ATOM 0 H SER A 452 2.463 8.389 -0.584 1.00 22.10 H new ATOM 0 HA SER A 452 0.621 10.391 -1.869 1.00 62.41 H new ATOM 0 HB2 SER A 452 0.920 10.861 0.949 1.00 12.12 H new ATOM 0 HB3 SER A 452 -0.557 10.457 0.098 1.00 12.12 H new ATOM 0 HG SER A 452 0.057 8.974 1.842 1.00 5.01 H new ATOM 920 N TYR A 453 2.586 12.129 -2.043 1.00 51.33 N ATOM 921 CA TYR A 453 3.831 12.999 -2.269 1.00 25.22 C ATOM 922 C TYR A 453 3.648 14.442 -1.654 1.00 3.32 C ATOM 923 O TYR A 453 2.559 14.720 -1.144 1.00 65.14 O ATOM 924 CB TYR A 453 4.079 13.205 -3.790 1.00 44.15 C ATOM 925 CG TYR A 453 4.572 12.036 -4.657 1.00 31.02 C ATOM 926 CD1 TYR A 453 5.879 11.489 -4.617 1.00 13.22 C ATOM 927 CD2 TYR A 453 3.697 11.502 -5.582 1.00 2.52 C ATOM 928 CE1 TYR A 453 6.233 10.453 -5.473 1.00 14.44 C ATOM 929 CE2 TYR A 453 4.047 10.489 -6.417 1.00 44.45 C ATOM 930 CZ TYR A 453 5.306 9.960 -6.366 1.00 20.14 C ATOM 931 OH TYR A 453 5.643 8.944 -7.216 1.00 40.24 O ATOM 0 H TYR A 453 1.777 12.429 -2.587 1.00 51.33 H new ATOM 0 HA TYR A 453 4.662 12.480 -1.791 1.00 25.22 H new ATOM 0 HB2 TYR A 453 3.144 13.559 -4.225 1.00 44.15 H new ATOM 0 HB3 TYR A 453 4.804 14.012 -3.893 1.00 44.15 H new ATOM 0 HD1 TYR A 453 6.604 11.879 -3.918 1.00 13.22 H new ATOM 0 HD2 TYR A 453 2.697 11.905 -5.644 1.00 2.52 H new ATOM 0 HE1 TYR A 453 7.229 10.037 -5.439 1.00 14.44 H new ATOM 0 HE2 TYR A 453 3.328 10.101 -7.123 1.00 44.45 H new ATOM 0 HH TYR A 453 6.580 8.695 -7.073 1.00 40.24 H new ATOM 941 N ASP A 454 4.695 15.376 -1.681 1.00 50.13 N ATOM 942 CA ASP A 454 4.519 16.714 -1.033 1.00 15.33 C ATOM 943 C ASP A 454 3.865 17.833 -1.925 1.00 30.22 C ATOM 944 O ASP A 454 3.261 18.737 -1.353 1.00 33.01 O ATOM 945 CB ASP A 454 5.817 17.291 -0.341 1.00 53.04 C ATOM 946 CG ASP A 454 5.492 18.089 0.923 1.00 61.40 C ATOM 947 OD1 ASP A 454 4.861 17.529 1.841 1.00 54.51 O ATOM 948 OD2 ASP A 454 5.911 19.269 1.007 1.00 22.03 O ATOM 0 H ASP A 454 5.603 15.221 -2.120 1.00 50.13 H new ATOM 0 HA ASP A 454 3.796 16.462 -0.257 1.00 15.33 H new ATOM 0 HB2 ASP A 454 6.487 16.470 -0.088 1.00 53.04 H new ATOM 0 HB3 ASP A 454 6.349 17.930 -1.046 1.00 53.04 H new ATOM 953 N ASN A 455 3.909 17.802 -3.306 1.00 23.32 N ATOM 954 CA ASN A 455 3.410 18.975 -4.090 1.00 75.33 C ATOM 955 C ASN A 455 2.778 18.654 -5.480 1.00 44.44 C ATOM 956 O ASN A 455 3.362 17.866 -6.227 1.00 40.10 O ATOM 957 CB ASN A 455 4.411 20.176 -4.113 1.00 55.52 C ATOM 958 CG ASN A 455 5.927 19.927 -4.295 1.00 21.54 C ATOM 959 OD1 ASN A 455 6.699 20.887 -4.260 1.00 12.31 O ATOM 960 ND2 ASN A 455 6.403 18.691 -4.415 1.00 51.43 N ATOM 0 H ASN A 455 4.264 17.024 -3.862 1.00 23.32 H new ATOM 0 HA ASN A 455 2.549 19.310 -3.512 1.00 75.33 H new ATOM 0 HB2 ASN A 455 4.095 20.843 -4.915 1.00 55.52 H new ATOM 0 HB3 ASN A 455 4.284 20.720 -3.177 1.00 55.52 H new ATOM 0 HD21 ASN A 455 7.409 18.536 -4.478 1.00 51.43 H new ATOM 0 HD22 ASN A 455 5.762 17.898 -4.444 1.00 51.43 H new ATOM 967 N PRO A 456 1.523 19.226 -5.836 1.00 72.20 N ATOM 968 CA PRO A 456 0.705 18.844 -7.028 1.00 73.02 C ATOM 969 C PRO A 456 1.386 18.760 -8.460 1.00 14.41 C ATOM 970 O PRO A 456 0.783 18.168 -9.351 1.00 0.13 O ATOM 971 CB PRO A 456 -0.505 19.845 -6.994 1.00 22.52 C ATOM 972 CG PRO A 456 -0.174 20.878 -6.010 1.00 73.53 C ATOM 973 CD PRO A 456 0.658 20.140 -5.021 1.00 75.43 C ATOM 0 HA PRO A 456 0.447 17.790 -6.924 1.00 73.02 H new ATOM 0 HB2 PRO A 456 -0.669 20.286 -7.977 1.00 22.52 H new ATOM 0 HB3 PRO A 456 -1.425 19.330 -6.718 1.00 22.52 H new ATOM 0 HG2 PRO A 456 0.374 21.705 -6.461 1.00 73.53 H new ATOM 0 HG3 PRO A 456 -1.068 21.300 -5.551 1.00 73.53 H new ATOM 0 HD2 PRO A 456 1.261 20.825 -4.425 1.00 75.43 H new ATOM 0 HD3 PRO A 456 0.036 19.576 -4.326 1.00 75.43 H new ATOM 981 N VAL A 457 2.625 19.313 -8.691 1.00 40.51 N ATOM 982 CA VAL A 457 3.342 19.151 -10.014 1.00 12.43 C ATOM 983 C VAL A 457 3.851 17.665 -10.193 1.00 3.22 C ATOM 984 O VAL A 457 3.760 17.125 -11.294 1.00 40.32 O ATOM 985 CB VAL A 457 4.541 20.201 -10.254 1.00 1.23 C ATOM 986 CG1 VAL A 457 5.291 19.961 -11.578 1.00 60.44 C ATOM 987 CG2 VAL A 457 4.086 21.672 -10.327 1.00 12.03 C ATOM 0 H VAL A 457 3.139 19.861 -8.001 1.00 40.51 H new ATOM 0 HA VAL A 457 2.601 19.378 -10.780 1.00 12.43 H new ATOM 0 HB VAL A 457 5.175 20.032 -9.384 1.00 1.23 H new ATOM 0 HG11 VAL A 457 6.087 20.698 -11.684 1.00 60.44 H new ATOM 0 HG12 VAL A 457 5.722 18.960 -11.576 1.00 60.44 H new ATOM 0 HG13 VAL A 457 4.596 20.055 -12.412 1.00 60.44 H new ATOM 0 HG21 VAL A 457 4.952 22.313 -10.490 1.00 12.03 H new ATOM 0 HG22 VAL A 457 3.383 21.795 -11.151 1.00 12.03 H new ATOM 0 HG23 VAL A 457 3.600 21.949 -9.391 1.00 12.03 H new ATOM 997 N SER A 458 4.313 16.974 -9.099 1.00 53.11 N ATOM 998 CA SER A 458 4.831 15.567 -9.221 1.00 52.14 C ATOM 999 C SER A 458 3.697 14.519 -9.490 1.00 52.01 C ATOM 1000 O SER A 458 3.965 13.486 -10.114 1.00 13.31 O ATOM 1001 CB SER A 458 5.717 15.124 -8.008 1.00 1.32 C ATOM 1002 OG SER A 458 5.089 15.391 -6.766 1.00 22.34 O ATOM 0 H SER A 458 4.338 17.353 -8.152 1.00 53.11 H new ATOM 0 HA SER A 458 5.476 15.588 -10.100 1.00 52.14 H new ATOM 0 HB2 SER A 458 5.930 14.058 -8.085 1.00 1.32 H new ATOM 0 HB3 SER A 458 6.674 15.644 -8.049 1.00 1.32 H new ATOM 0 HG SER A 458 5.673 15.099 -6.035 1.00 22.34 H new ATOM 1008 N ALA A 459 2.435 14.787 -9.035 1.00 61.44 N ATOM 1009 CA ALA A 459 1.279 13.882 -9.330 1.00 71.02 C ATOM 1010 C ALA A 459 0.930 13.819 -10.854 1.00 42.44 C ATOM 1011 O ALA A 459 0.520 12.763 -11.335 1.00 3.45 O ATOM 1012 CB ALA A 459 0.010 14.129 -8.512 1.00 73.32 C ATOM 0 H ALA A 459 2.195 15.605 -8.474 1.00 61.44 H new ATOM 0 HA ALA A 459 1.654 12.911 -9.006 1.00 71.02 H new ATOM 0 HB1 ALA A 459 -0.759 13.417 -8.810 1.00 73.32 H new ATOM 0 HB2 ALA A 459 0.230 14.003 -7.452 1.00 73.32 H new ATOM 0 HB3 ALA A 459 -0.346 15.143 -8.691 1.00 73.32 H new ATOM 1018 N GLN A 460 1.118 14.959 -11.607 1.00 55.14 N ATOM 1019 CA GLN A 460 0.865 15.044 -13.077 1.00 42.12 C ATOM 1020 C GLN A 460 1.771 14.085 -13.886 1.00 24.03 C ATOM 1021 O GLN A 460 1.306 13.505 -14.870 1.00 14.52 O ATOM 1022 CB GLN A 460 0.984 16.523 -13.602 1.00 74.11 C ATOM 1023 CG GLN A 460 -0.141 17.468 -13.111 1.00 53.10 C ATOM 1024 CD GLN A 460 0.329 18.839 -12.723 1.00 14.34 C ATOM 1025 OE1 GLN A 460 1.363 19.336 -13.163 1.00 14.03 O ATOM 1026 NE2 GLN A 460 -0.506 19.488 -11.945 1.00 14.24 N ATOM 0 H GLN A 460 1.448 15.836 -11.204 1.00 55.14 H new ATOM 0 HA GLN A 460 -0.163 14.718 -13.235 1.00 42.12 H new ATOM 0 HB2 GLN A 460 1.946 16.930 -13.290 1.00 74.11 H new ATOM 0 HB3 GLN A 460 0.981 16.510 -14.692 1.00 74.11 H new ATOM 0 HG2 GLN A 460 -0.889 17.562 -13.898 1.00 53.10 H new ATOM 0 HG3 GLN A 460 -0.636 17.010 -12.254 1.00 53.10 H new ATOM 0 HE21 GLN A 460 -1.351 19.027 -11.607 1.00 14.24 H new ATOM 0 HE22 GLN A 460 -0.310 20.453 -11.678 1.00 14.24 H new ATOM 1035 N ALA A 461 3.046 13.902 -13.484 1.00 4.31 N ATOM 1036 CA ALA A 461 3.921 12.934 -14.169 1.00 50.12 C ATOM 1037 C ALA A 461 3.684 11.445 -13.763 1.00 63.43 C ATOM 1038 O ALA A 461 3.880 10.573 -14.613 1.00 54.53 O ATOM 1039 CB ALA A 461 5.409 13.319 -14.080 1.00 31.44 C ATOM 0 H ALA A 461 3.482 14.399 -12.708 1.00 4.31 H new ATOM 0 HA ALA A 461 3.625 12.996 -15.216 1.00 50.12 H new ATOM 0 HB1 ALA A 461 6.010 12.573 -14.600 1.00 31.44 H new ATOM 0 HB2 ALA A 461 5.561 14.294 -14.543 1.00 31.44 H new ATOM 0 HB3 ALA A 461 5.712 13.363 -13.034 1.00 31.44 H new ATOM 1045 N ALA A 462 3.283 11.125 -12.495 1.00 4.40 N ATOM 1046 CA ALA A 462 2.950 9.718 -12.148 1.00 44.30 C ATOM 1047 C ALA A 462 1.659 9.209 -12.789 1.00 0.54 C ATOM 1048 O ALA A 462 1.700 8.123 -13.328 1.00 44.43 O ATOM 1049 CB ALA A 462 2.950 9.384 -10.642 1.00 62.20 C ATOM 0 H ALA A 462 3.187 11.793 -11.731 1.00 4.40 H new ATOM 0 HA ALA A 462 3.791 9.180 -12.586 1.00 44.30 H new ATOM 0 HB1 ALA A 462 2.695 8.334 -10.502 1.00 62.20 H new ATOM 0 HB2 ALA A 462 3.940 9.575 -10.227 1.00 62.20 H new ATOM 0 HB3 ALA A 462 2.216 10.007 -10.131 1.00 62.20 H new ATOM 1055 N ILE A 463 0.540 9.986 -12.769 1.00 73.32 N ATOM 1056 CA ILE A 463 -0.753 9.533 -13.319 1.00 32.24 C ATOM 1057 C ILE A 463 -0.594 9.100 -14.824 1.00 15.12 C ATOM 1058 O ILE A 463 -1.167 8.094 -15.178 1.00 41.40 O ATOM 1059 CB ILE A 463 -1.926 10.611 -13.069 1.00 0.35 C ATOM 1060 CG1 ILE A 463 -2.268 10.743 -11.512 1.00 10.24 C ATOM 1061 CG2 ILE A 463 -3.237 10.305 -13.857 1.00 43.12 C ATOM 1062 CD1 ILE A 463 -3.107 11.954 -11.064 1.00 11.01 C ATOM 0 H ILE A 463 0.516 10.927 -12.376 1.00 73.32 H new ATOM 0 HA ILE A 463 -1.070 8.643 -12.775 1.00 32.24 H new ATOM 0 HB ILE A 463 -1.532 11.554 -13.447 1.00 0.35 H new ATOM 0 HG12 ILE A 463 -2.794 9.839 -11.206 1.00 10.24 H new ATOM 0 HG13 ILE A 463 -1.327 10.765 -10.963 1.00 10.24 H new ATOM 0 HG21 ILE A 463 -3.980 11.072 -13.639 1.00 43.12 H new ATOM 0 HG22 ILE A 463 -3.026 10.298 -14.926 1.00 43.12 H new ATOM 0 HG23 ILE A 463 -3.623 9.331 -13.557 1.00 43.12 H new ATOM 0 HD11 ILE A 463 -3.260 11.912 -9.986 1.00 11.01 H new ATOM 0 HD12 ILE A 463 -2.583 12.875 -11.321 1.00 11.01 H new ATOM 0 HD13 ILE A 463 -4.073 11.934 -11.568 1.00 11.01 H new ATOM 1074 N GLN A 464 0.253 9.782 -15.679 1.00 0.33 N ATOM 1075 CA GLN A 464 0.478 9.295 -17.088 1.00 25.31 C ATOM 1076 C GLN A 464 1.357 7.991 -17.224 1.00 4.02 C ATOM 1077 O GLN A 464 0.979 7.111 -17.998 1.00 74.41 O ATOM 1078 CB GLN A 464 0.994 10.433 -18.037 1.00 12.22 C ATOM 1079 CG GLN A 464 0.561 10.265 -19.503 1.00 20.33 C ATOM 1080 CD GLN A 464 -0.412 11.347 -19.983 1.00 21.41 C ATOM 1081 OE1 GLN A 464 -0.448 11.643 -21.169 1.00 42.04 O ATOM 1082 NE2 GLN A 464 -1.202 11.943 -19.081 1.00 13.51 N ATOM 0 H GLN A 464 0.766 10.628 -15.430 1.00 0.33 H new ATOM 0 HA GLN A 464 -0.517 8.995 -17.417 1.00 25.31 H new ATOM 0 HB2 GLN A 464 0.631 11.392 -17.669 1.00 12.22 H new ATOM 0 HB3 GLN A 464 2.083 10.465 -17.991 1.00 12.22 H new ATOM 0 HG2 GLN A 464 1.447 10.277 -20.138 1.00 20.33 H new ATOM 0 HG3 GLN A 464 0.094 9.288 -19.625 1.00 20.33 H new ATOM 0 HE21 GLN A 464 -1.148 11.674 -18.099 1.00 13.51 H new ATOM 0 HE22 GLN A 464 -1.858 12.666 -19.376 1.00 13.51 H new ATOM 1091 N ALA A 465 2.505 7.845 -16.517 1.00 34.21 N ATOM 1092 CA ALA A 465 3.331 6.581 -16.598 1.00 1.31 C ATOM 1093 C ALA A 465 2.748 5.376 -15.737 1.00 22.02 C ATOM 1094 O ALA A 465 3.288 4.267 -15.760 1.00 52.31 O ATOM 1095 CB ALA A 465 4.822 6.872 -16.272 1.00 53.31 C ATOM 0 H ALA A 465 2.886 8.558 -15.895 1.00 34.21 H new ATOM 0 HA ALA A 465 3.271 6.239 -17.631 1.00 1.31 H new ATOM 0 HB1 ALA A 465 5.396 5.947 -16.337 1.00 53.31 H new ATOM 0 HB2 ALA A 465 5.216 7.595 -16.986 1.00 53.31 H new ATOM 0 HB3 ALA A 465 4.901 7.278 -15.264 1.00 53.31 H new ATOM 1101 N MET A 466 1.629 5.630 -15.017 1.00 73.21 N ATOM 1102 CA MET A 466 0.959 4.693 -14.043 1.00 61.24 C ATOM 1103 C MET A 466 -0.491 4.343 -14.426 1.00 55.33 C ATOM 1104 O MET A 466 -1.028 3.373 -13.886 1.00 4.24 O ATOM 1105 CB MET A 466 0.979 5.225 -12.575 1.00 32.22 C ATOM 1106 CG MET A 466 2.263 4.944 -11.776 1.00 51.24 C ATOM 1107 SD MET A 466 3.803 5.435 -12.571 1.00 14.05 S ATOM 1108 CE MET A 466 4.991 4.558 -11.560 1.00 25.42 C ATOM 0 H MET A 466 1.139 6.522 -15.091 1.00 73.21 H new ATOM 0 HA MET A 466 1.558 3.784 -14.100 1.00 61.24 H new ATOM 0 HB2 MET A 466 0.817 6.303 -12.597 1.00 32.22 H new ATOM 0 HB3 MET A 466 0.137 4.787 -12.039 1.00 32.22 H new ATOM 0 HG2 MET A 466 2.191 5.457 -10.817 1.00 51.24 H new ATOM 0 HG3 MET A 466 2.310 3.876 -11.564 1.00 51.24 H new ATOM 0 HE1 MET A 466 5.998 4.759 -11.925 1.00 25.42 H new ATOM 0 HE2 MET A 466 4.906 4.892 -10.526 1.00 25.42 H new ATOM 0 HE3 MET A 466 4.793 3.487 -11.612 1.00 25.42 H new ATOM 1118 N ASN A 467 -1.158 5.090 -15.328 1.00 30.44 N ATOM 1119 CA ASN A 467 -2.392 4.571 -15.892 1.00 22.11 C ATOM 1120 C ASN A 467 -1.987 3.552 -17.025 1.00 74.33 C ATOM 1121 O ASN A 467 -1.211 3.926 -17.907 1.00 60.02 O ATOM 1122 CB ASN A 467 -3.399 5.677 -16.373 1.00 3.01 C ATOM 1123 CG ASN A 467 -2.923 6.838 -17.271 1.00 73.13 C ATOM 1124 OD1 ASN A 467 -3.436 7.944 -17.120 1.00 75.44 O ATOM 1125 ND2 ASN A 467 -2.009 6.655 -18.214 1.00 62.41 N ATOM 0 H ASN A 467 -0.871 6.010 -15.661 1.00 30.44 H new ATOM 0 HA ASN A 467 -2.961 4.063 -15.113 1.00 22.11 H new ATOM 0 HB2 ASN A 467 -4.203 5.169 -16.905 1.00 3.01 H new ATOM 0 HB3 ASN A 467 -3.838 6.121 -15.480 1.00 3.01 H new ATOM 0 HD21 ASN A 467 -1.732 7.432 -18.814 1.00 62.41 H new ATOM 0 HD22 ASN A 467 -1.583 5.737 -18.340 1.00 62.41 H new ATOM 1132 N GLY A 468 -2.442 2.272 -17.016 1.00 62.31 N ATOM 1133 CA GLY A 468 -1.953 1.320 -18.054 1.00 42.22 C ATOM 1134 C GLY A 468 -0.762 0.369 -17.742 1.00 31.43 C ATOM 1135 O GLY A 468 -0.216 -0.159 -18.713 1.00 32.24 O ATOM 0 H GLY A 468 -3.108 1.889 -16.345 1.00 62.31 H new ATOM 0 HA2 GLY A 468 -2.798 0.696 -18.344 1.00 42.22 H new ATOM 0 HA3 GLY A 468 -1.676 1.909 -18.929 1.00 42.22 H new ATOM 1139 N PHE A 469 -0.312 0.112 -16.479 1.00 20.52 N ATOM 1140 CA PHE A 469 0.962 -0.662 -16.314 1.00 71.50 C ATOM 1141 C PHE A 469 0.653 -2.207 -16.387 1.00 74.23 C ATOM 1142 O PHE A 469 -0.005 -2.743 -15.492 1.00 3.50 O ATOM 1143 CB PHE A 469 1.731 -0.292 -14.973 1.00 2.13 C ATOM 1144 CG PHE A 469 3.269 -0.263 -15.054 1.00 5.32 C ATOM 1145 CD1 PHE A 469 4.001 -1.387 -15.431 1.00 61.32 C ATOM 1146 CD2 PHE A 469 3.989 0.887 -14.723 1.00 0.14 C ATOM 1147 CE1 PHE A 469 5.391 -1.357 -15.480 1.00 61.24 C ATOM 1148 CE2 PHE A 469 5.375 0.909 -14.770 1.00 54.40 C ATOM 1149 CZ PHE A 469 6.066 -0.211 -15.148 1.00 71.32 C ATOM 0 H PHE A 469 -0.771 0.403 -15.616 1.00 20.52 H new ATOM 0 HA PHE A 469 1.629 -0.388 -17.131 1.00 71.50 H new ATOM 0 HB2 PHE A 469 1.387 0.688 -14.641 1.00 2.13 H new ATOM 0 HB3 PHE A 469 1.442 -1.009 -14.204 1.00 2.13 H new ATOM 0 HD1 PHE A 469 3.480 -2.297 -15.690 1.00 61.32 H new ATOM 0 HD2 PHE A 469 3.456 1.777 -14.424 1.00 0.14 H new ATOM 0 HE1 PHE A 469 5.939 -2.238 -15.780 1.00 61.24 H new ATOM 0 HE2 PHE A 469 5.910 1.810 -14.508 1.00 54.40 H new ATOM 0 HZ PHE A 469 7.145 -0.192 -15.185 1.00 71.32 H new ATOM 1159 N GLN A 470 1.105 -2.914 -17.469 1.00 33.33 N ATOM 1160 CA GLN A 470 0.803 -4.358 -17.689 1.00 14.43 C ATOM 1161 C GLN A 470 2.014 -5.305 -17.269 1.00 22.53 C ATOM 1162 O GLN A 470 3.114 -5.138 -17.788 1.00 45.24 O ATOM 1163 CB GLN A 470 0.422 -4.450 -19.197 1.00 12.33 C ATOM 1164 CG GLN A 470 0.075 -5.821 -19.834 1.00 60.21 C ATOM 1165 CD GLN A 470 -0.291 -5.724 -21.314 1.00 11.45 C ATOM 1166 OE1 GLN A 470 -0.151 -6.688 -22.053 1.00 62.14 O ATOM 1167 NE2 GLN A 470 -0.691 -4.546 -21.759 1.00 74.32 N ATOM 0 H GLN A 470 1.682 -2.501 -18.202 1.00 33.33 H new ATOM 0 HA GLN A 470 -0.011 -4.715 -17.058 1.00 14.43 H new ATOM 0 HB2 GLN A 470 -0.435 -3.795 -19.354 1.00 12.33 H new ATOM 0 HB3 GLN A 470 1.252 -4.031 -19.766 1.00 12.33 H new ATOM 0 HG2 GLN A 470 0.926 -6.492 -19.721 1.00 60.21 H new ATOM 0 HG3 GLN A 470 -0.757 -6.267 -19.289 1.00 60.21 H new ATOM 0 HE21 GLN A 470 -0.796 -3.765 -21.111 1.00 74.32 H new ATOM 0 HE22 GLN A 470 -0.895 -4.418 -22.750 1.00 74.32 H new ATOM 1176 N ILE A 471 1.805 -6.288 -16.307 1.00 11.13 N ATOM 1177 CA ILE A 471 2.912 -7.162 -15.709 1.00 44.10 C ATOM 1178 C ILE A 471 2.300 -8.588 -15.410 1.00 72.51 C ATOM 1179 O ILE A 471 1.727 -8.763 -14.321 1.00 72.25 O ATOM 1180 CB ILE A 471 3.481 -6.605 -14.311 1.00 42.50 C ATOM 1181 CG1 ILE A 471 3.345 -5.055 -14.247 1.00 73.54 C ATOM 1182 CG2 ILE A 471 4.959 -7.007 -14.055 1.00 53.22 C ATOM 1183 CD1 ILE A 471 3.914 -4.343 -13.007 1.00 33.12 C ATOM 0 H ILE A 471 0.881 -6.497 -15.928 1.00 11.13 H new ATOM 0 HA ILE A 471 3.729 -7.178 -16.430 1.00 44.10 H new ATOM 0 HB ILE A 471 2.878 -7.066 -13.528 1.00 42.50 H new ATOM 0 HG12 ILE A 471 3.833 -4.638 -15.128 1.00 73.54 H new ATOM 0 HG13 ILE A 471 2.286 -4.807 -14.321 1.00 73.54 H new ATOM 0 HG21 ILE A 471 5.286 -6.602 -13.097 1.00 53.22 H new ATOM 0 HG22 ILE A 471 5.043 -8.094 -14.037 1.00 53.22 H new ATOM 0 HG23 ILE A 471 5.588 -6.608 -14.851 1.00 53.22 H new ATOM 0 HD11 ILE A 471 3.750 -3.269 -13.097 1.00 33.12 H new ATOM 0 HD12 ILE A 471 3.413 -4.713 -12.113 1.00 33.12 H new ATOM 0 HD13 ILE A 471 4.983 -4.542 -12.932 1.00 33.12 H new ATOM 1195 N GLY A 472 2.370 -9.598 -16.347 1.00 23.42 N ATOM 1196 CA GLY A 472 1.728 -10.912 -16.113 1.00 61.22 C ATOM 1197 C GLY A 472 0.146 -10.841 -16.143 1.00 22.51 C ATOM 1198 O GLY A 472 -0.406 -10.299 -17.103 1.00 73.51 O ATOM 0 H GLY A 472 2.854 -9.516 -17.241 1.00 23.42 H new ATOM 0 HA2 GLY A 472 2.069 -11.617 -16.871 1.00 61.22 H new ATOM 0 HA3 GLY A 472 2.051 -11.301 -15.147 1.00 61.22 H new ATOM 1202 N MET A 473 -0.576 -11.355 -15.104 1.00 55.03 N ATOM 1203 CA MET A 473 -2.107 -11.454 -15.126 1.00 33.42 C ATOM 1204 C MET A 473 -2.863 -10.386 -14.247 1.00 53.32 C ATOM 1205 O MET A 473 -3.966 -10.649 -13.763 1.00 43.30 O ATOM 1206 CB MET A 473 -2.580 -12.946 -14.867 1.00 24.34 C ATOM 1207 CG MET A 473 -2.327 -13.613 -13.488 1.00 22.34 C ATOM 1208 SD MET A 473 -3.708 -13.481 -12.340 1.00 33.13 S ATOM 1209 CE MET A 473 -2.989 -14.291 -10.904 1.00 72.44 C ATOM 0 H MET A 473 -0.152 -11.707 -14.246 1.00 55.03 H new ATOM 0 HA MET A 473 -2.410 -11.181 -16.137 1.00 33.42 H new ATOM 0 HB2 MET A 473 -3.653 -12.982 -15.052 1.00 24.34 H new ATOM 0 HB3 MET A 473 -2.105 -13.572 -15.622 1.00 24.34 H new ATOM 0 HG2 MET A 473 -2.098 -14.667 -13.643 1.00 22.34 H new ATOM 0 HG3 MET A 473 -1.446 -13.159 -13.033 1.00 22.34 H new ATOM 0 HE1 MET A 473 -3.714 -14.299 -10.090 1.00 72.44 H new ATOM 0 HE2 MET A 473 -2.720 -15.316 -11.161 1.00 72.44 H new ATOM 0 HE3 MET A 473 -2.096 -13.750 -10.590 1.00 72.44 H new ATOM 1219 N LYS A 474 -2.301 -9.148 -14.114 1.00 13.44 N ATOM 1220 CA LYS A 474 -2.953 -8.037 -13.395 1.00 4.01 C ATOM 1221 C LYS A 474 -2.671 -6.715 -14.165 1.00 52.33 C ATOM 1222 O LYS A 474 -1.576 -6.570 -14.722 1.00 64.24 O ATOM 1223 CB LYS A 474 -2.439 -7.834 -11.932 1.00 70.31 C ATOM 1224 CG LYS A 474 -3.013 -8.745 -10.802 1.00 52.25 C ATOM 1225 CD LYS A 474 -4.395 -8.277 -10.325 1.00 62.04 C ATOM 1226 CE LYS A 474 -4.935 -9.084 -9.128 1.00 11.11 C ATOM 1227 NZ LYS A 474 -3.856 -9.464 -8.173 1.00 70.03 N ATOM 0 H LYS A 474 -1.390 -8.905 -14.503 1.00 13.44 H new ATOM 0 HA LYS A 474 -4.012 -8.289 -13.343 1.00 4.01 H new ATOM 0 HB2 LYS A 474 -1.357 -7.962 -11.941 1.00 70.31 H new ATOM 0 HB3 LYS A 474 -2.635 -6.799 -11.653 1.00 70.31 H new ATOM 0 HG2 LYS A 474 -3.084 -9.770 -11.165 1.00 52.25 H new ATOM 0 HG3 LYS A 474 -2.323 -8.753 -9.958 1.00 52.25 H new ATOM 0 HD2 LYS A 474 -4.338 -7.224 -10.048 1.00 62.04 H new ATOM 0 HD3 LYS A 474 -5.101 -8.351 -11.152 1.00 62.04 H new ATOM 0 HE2 LYS A 474 -5.689 -8.495 -8.606 1.00 11.11 H new ATOM 0 HE3 LYS A 474 -5.429 -9.985 -9.492 1.00 11.11 H new ATOM 0 HZ1 LYS A 474 -4.281 -9.822 -7.294 1.00 70.03 H new ATOM 0 HZ2 LYS A 474 -3.262 -10.205 -8.597 1.00 70.03 H new ATOM 0 HZ3 LYS A 474 -3.271 -8.631 -7.961 1.00 70.03 H new ATOM 1241 N ARG A 475 -3.624 -5.761 -14.220 1.00 4.02 N ATOM 1242 CA ARG A 475 -3.279 -4.371 -14.621 1.00 4.41 C ATOM 1243 C ARG A 475 -3.249 -3.392 -13.375 1.00 63.33 C ATOM 1244 O ARG A 475 -4.147 -3.471 -12.538 1.00 45.41 O ATOM 1245 CB ARG A 475 -4.279 -3.778 -15.690 1.00 72.34 C ATOM 1246 CG ARG A 475 -3.808 -2.476 -16.352 1.00 11.51 C ATOM 1247 CD ARG A 475 -3.474 -2.696 -17.847 1.00 41.20 C ATOM 1248 NE ARG A 475 -2.967 -4.059 -18.120 1.00 21.20 N ATOM 1249 CZ ARG A 475 -3.655 -5.016 -18.800 1.00 25.44 C ATOM 1250 NH1 ARG A 475 -4.866 -4.767 -19.299 1.00 63.25 N ATOM 1251 NH2 ARG A 475 -3.158 -6.242 -18.903 1.00 12.22 N ATOM 0 H ARG A 475 -4.608 -5.914 -14.001 1.00 4.02 H new ATOM 0 HA ARG A 475 -2.286 -4.440 -15.066 1.00 4.41 H new ATOM 0 HB2 ARG A 475 -4.446 -4.525 -16.466 1.00 72.34 H new ATOM 0 HB3 ARG A 475 -5.240 -3.598 -15.209 1.00 72.34 H new ATOM 0 HG2 ARG A 475 -4.584 -1.716 -16.258 1.00 11.51 H new ATOM 0 HG3 ARG A 475 -2.928 -2.099 -15.832 1.00 11.51 H new ATOM 0 HD2 ARG A 475 -4.367 -2.518 -18.446 1.00 41.20 H new ATOM 0 HD3 ARG A 475 -2.729 -1.965 -18.161 1.00 41.20 H new ATOM 0 HE ARG A 475 -2.037 -4.298 -17.775 1.00 21.20 H new ATOM 0 HH11 ARG A 475 -5.290 -3.848 -19.174 1.00 63.25 H new ATOM 0 HH12 ARG A 475 -5.368 -5.496 -19.806 1.00 63.25 H new ATOM 0 HH21 ARG A 475 -2.261 -6.466 -18.473 1.00 12.22 H new ATOM 0 HH22 ARG A 475 -3.673 -6.960 -19.413 1.00 12.22 H new ATOM 1265 N LEU A 476 -2.222 -2.483 -13.248 1.00 50.22 N ATOM 1266 CA LEU A 476 -2.266 -1.311 -12.278 1.00 13.53 C ATOM 1267 C LEU A 476 -3.402 -0.273 -12.700 1.00 35.43 C ATOM 1268 O LEU A 476 -3.408 0.149 -13.864 1.00 25.11 O ATOM 1269 CB LEU A 476 -0.896 -0.517 -12.308 1.00 23.10 C ATOM 1270 CG LEU A 476 -0.449 0.343 -11.086 1.00 71.03 C ATOM 1271 CD1 LEU A 476 0.312 -0.455 -10.013 1.00 1.10 C ATOM 1272 CD2 LEU A 476 0.453 1.474 -11.538 1.00 22.04 C ATOM 0 H LEU A 476 -1.362 -2.532 -13.794 1.00 50.22 H new ATOM 0 HA LEU A 476 -2.462 -1.722 -11.288 1.00 13.53 H new ATOM 0 HB2 LEU A 476 -0.107 -1.245 -12.494 1.00 23.10 H new ATOM 0 HB3 LEU A 476 -0.928 0.146 -13.173 1.00 23.10 H new ATOM 0 HG LEU A 476 -1.373 0.716 -10.644 1.00 71.03 H new ATOM 0 HD11 LEU A 476 0.590 0.209 -9.195 1.00 1.10 H new ATOM 0 HD12 LEU A 476 -0.326 -1.253 -9.632 1.00 1.10 H new ATOM 0 HD13 LEU A 476 1.211 -0.888 -10.451 1.00 1.10 H new ATOM 0 HD21 LEU A 476 0.756 2.065 -10.674 1.00 22.04 H new ATOM 0 HD22 LEU A 476 1.337 1.062 -12.024 1.00 22.04 H new ATOM 0 HD23 LEU A 476 -0.085 2.110 -12.241 1.00 22.04 H new ATOM 1284 N LYS A 477 -4.365 0.139 -11.798 1.00 22.34 N ATOM 1285 CA LYS A 477 -5.339 1.260 -12.138 1.00 73.11 C ATOM 1286 C LYS A 477 -5.315 2.386 -11.011 1.00 1.00 C ATOM 1287 O LYS A 477 -5.619 2.081 -9.853 1.00 41.54 O ATOM 1288 CB LYS A 477 -6.784 0.677 -12.466 1.00 34.54 C ATOM 1289 CG LYS A 477 -8.061 1.629 -12.551 1.00 45.31 C ATOM 1290 CD LYS A 477 -7.883 2.946 -13.328 1.00 73.43 C ATOM 1291 CE LYS A 477 -9.246 3.664 -13.499 1.00 41.15 C ATOM 1292 NZ LYS A 477 -9.114 5.145 -13.451 1.00 73.20 N ATOM 0 H LYS A 477 -4.490 -0.264 -10.869 1.00 22.34 H new ATOM 0 HA LYS A 477 -5.019 1.759 -13.053 1.00 73.11 H new ATOM 0 HB2 LYS A 477 -6.709 0.160 -13.423 1.00 34.54 H new ATOM 0 HB3 LYS A 477 -7.001 -0.079 -11.711 1.00 34.54 H new ATOM 0 HG2 LYS A 477 -8.875 1.068 -13.011 1.00 45.31 H new ATOM 0 HG3 LYS A 477 -8.375 1.871 -11.536 1.00 45.31 H new ATOM 0 HD2 LYS A 477 -7.187 3.596 -12.798 1.00 73.43 H new ATOM 0 HD3 LYS A 477 -7.448 2.742 -14.306 1.00 73.43 H new ATOM 0 HE2 LYS A 477 -9.691 3.372 -14.450 1.00 41.15 H new ATOM 0 HE3 LYS A 477 -9.928 3.337 -12.714 1.00 41.15 H new ATOM 0 HZ1 LYS A 477 -10.011 5.563 -13.131 1.00 73.20 H new ATOM 0 HZ2 LYS A 477 -8.355 5.405 -12.789 1.00 73.20 H new ATOM 0 HZ3 LYS A 477 -8.884 5.504 -14.400 1.00 73.20 H new ATOM 1306 N VAL A 478 -4.938 3.688 -11.340 1.00 73.10 N ATOM 1307 CA VAL A 478 -4.718 4.761 -10.328 1.00 24.43 C ATOM 1308 C VAL A 478 -5.984 5.688 -10.249 1.00 4.35 C ATOM 1309 O VAL A 478 -6.597 5.923 -11.301 1.00 4.55 O ATOM 1310 CB VAL A 478 -3.367 5.581 -10.693 1.00 3.24 C ATOM 1311 CG1 VAL A 478 -3.424 7.111 -10.592 1.00 33.21 C ATOM 1312 CG2 VAL A 478 -2.174 5.178 -9.846 1.00 52.44 C ATOM 0 H VAL A 478 -4.786 3.997 -12.300 1.00 73.10 H new ATOM 0 HA VAL A 478 -4.578 4.325 -9.339 1.00 24.43 H new ATOM 0 HB VAL A 478 -3.263 5.302 -11.742 1.00 3.24 H new ATOM 0 HG11 VAL A 478 -2.455 7.530 -10.863 1.00 33.21 H new ATOM 0 HG12 VAL A 478 -4.187 7.492 -11.271 1.00 33.21 H new ATOM 0 HG13 VAL A 478 -3.671 7.399 -9.570 1.00 33.21 H new ATOM 0 HG21 VAL A 478 -1.304 5.764 -10.141 1.00 52.44 H new ATOM 0 HG22 VAL A 478 -2.396 5.362 -8.795 1.00 52.44 H new ATOM 0 HG23 VAL A 478 -1.965 4.118 -9.993 1.00 52.44 H new ATOM 1322 N GLN A 479 -6.431 6.191 -9.042 1.00 70.52 N ATOM 1323 CA GLN A 479 -7.526 7.178 -9.022 1.00 41.22 C ATOM 1324 C GLN A 479 -7.017 8.601 -8.597 1.00 3.25 C ATOM 1325 O GLN A 479 -6.507 8.762 -7.484 1.00 14.43 O ATOM 1326 CB GLN A 479 -8.738 6.675 -8.126 1.00 52.14 C ATOM 1327 CG GLN A 479 -8.378 5.615 -7.035 1.00 74.03 C ATOM 1328 CD GLN A 479 -9.534 5.264 -6.089 1.00 1.12 C ATOM 1329 OE1 GLN A 479 -10.701 5.465 -6.436 1.00 42.22 O ATOM 1330 NE2 GLN A 479 -9.256 4.628 -4.923 1.00 43.31 N ATOM 0 H GLN A 479 -6.059 5.933 -8.128 1.00 70.52 H new ATOM 0 HA GLN A 479 -7.903 7.277 -10.040 1.00 41.22 H new ATOM 0 HB2 GLN A 479 -9.185 7.539 -7.634 1.00 52.14 H new ATOM 0 HB3 GLN A 479 -9.499 6.251 -8.781 1.00 52.14 H new ATOM 0 HG2 GLN A 479 -8.038 4.704 -7.528 1.00 74.03 H new ATOM 0 HG3 GLN A 479 -7.541 5.989 -6.444 1.00 74.03 H new ATOM 0 HE21 GLN A 479 -8.287 4.468 -4.648 1.00 43.31 H new ATOM 0 HE22 GLN A 479 -10.016 4.310 -4.322 1.00 43.31 H new