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 433 SER OG : rot 170:sc= 0.169 USER MOD Set 1.2: A 452 SER OG : rot -112:sc= 0.174 USER MOD Single : A 398 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 399 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0329) USER MOD Single : A 406 ASN : amide:sc= 0.593 X(o=0.59,f=1) 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=-0.048) USER MOD Single : A 414 GLN : amide:sc= -1.78 K(o=-1.8,f=-2.3) USER MOD Single : A 419 GLN : amide:sc= -0.93 K(o=-0.93,f=-0.26) USER MOD Single : A 423 GLN : amide:sc= 0.928 K(o=0.93,f=0) USER MOD Single : A 424 MET CE :methyl 158:sc= -0.121 (180deg=-0.628) USER MOD Single : A 426 MET CE :methyl -144:sc= -0.374 (180deg=-2.18!) USER MOD Single : A 430 ASN : amide:sc= 0.0516 K(o=0.052,f=-2.6!) USER MOD Single : A 435 LYS NZ :NH3+ -171:sc=-0.00655 (180deg=-0.155) USER MOD Single : A 453 TYR OH : rot 46:sc= 0.617 USER MOD Single : A 455 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.0016) USER MOD Single : A 458 SER OG : rot 180:sc=0.000469 USER MOD Single : A 460 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.27) USER MOD Single : A 464 GLN : amide:sc= -0.898 K(o=-0.9,f=-0.21) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= 0.583 K(o=0.58,f=-0.19) USER MOD Single : A 470 GLN : amide:sc= -1.09 K(o=-1.1,f=0) 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+ 173:sc= 0.532 (180deg=0.466) USER MOD Single : A 479 GLN : amide:sc= 0.537 K(o=0.54,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 0.468 6.715 7.336 1.00 65.35 N ATOM 57 CA GLN A 398 -0.304 7.491 6.354 1.00 73.03 C ATOM 58 C GLN A 398 -0.714 8.848 6.978 1.00 21.24 C ATOM 59 O GLN A 398 -1.473 8.877 7.956 1.00 33.53 O ATOM 60 CB GLN A 398 -1.494 6.602 5.893 1.00 11.15 C ATOM 61 CG GLN A 398 -2.735 7.264 5.197 1.00 41.24 C ATOM 62 CD GLN A 398 -2.450 8.125 3.955 1.00 71.12 C ATOM 63 OE1 GLN A 398 -1.486 7.893 3.229 1.00 53.22 O ATOM 64 NE2 GLN A 398 -3.319 9.118 3.684 1.00 31.04 N ATOM 0 HA GLN A 398 0.275 7.747 5.466 1.00 73.03 H new ATOM 0 HB2 GLN A 398 -1.096 5.855 5.206 1.00 11.15 H new ATOM 0 HB3 GLN A 398 -1.859 6.067 6.769 1.00 11.15 H new ATOM 0 HG2 GLN A 398 -3.428 6.472 4.911 1.00 41.24 H new ATOM 0 HG3 GLN A 398 -3.247 7.885 5.932 1.00 41.24 H new ATOM 0 HE21 GLN A 398 -4.110 9.287 4.305 1.00 31.04 H new ATOM 0 HE22 GLN A 398 -3.186 9.701 2.858 1.00 31.04 H new ATOM 73 N LYS A 399 -0.198 9.971 6.399 1.00 74.24 N ATOM 74 CA LYS A 399 -0.278 11.311 6.986 1.00 3.23 C ATOM 75 C LYS A 399 0.071 12.357 5.916 1.00 30.13 C ATOM 76 O LYS A 399 1.191 12.850 5.779 1.00 1.24 O ATOM 77 CB LYS A 399 0.444 11.503 8.359 1.00 34.02 C ATOM 78 CG LYS A 399 1.805 10.800 8.629 1.00 5.30 C ATOM 79 CD LYS A 399 2.887 11.269 7.692 1.00 34.42 C ATOM 80 CE LYS A 399 4.274 10.635 7.966 1.00 22.14 C ATOM 81 NZ LYS A 399 4.823 11.056 9.274 1.00 5.24 N ATOM 0 H LYS A 399 0.287 9.954 5.502 1.00 74.24 H new ATOM 0 HA LYS A 399 -1.313 11.466 7.290 1.00 3.23 H new ATOM 0 HB2 LYS A 399 0.599 12.573 8.496 1.00 34.02 H new ATOM 0 HB3 LYS A 399 -0.248 11.179 9.137 1.00 34.02 H new ATOM 0 HG2 LYS A 399 2.111 10.989 9.658 1.00 5.30 H new ATOM 0 HG3 LYS A 399 1.681 9.722 8.527 1.00 5.30 H new ATOM 0 HD2 LYS A 399 2.591 11.042 6.668 1.00 34.42 H new ATOM 0 HD3 LYS A 399 2.973 12.353 7.766 1.00 34.42 H new ATOM 0 HE2 LYS A 399 4.188 9.549 7.941 1.00 22.14 H new ATOM 0 HE3 LYS A 399 4.966 10.919 7.173 1.00 22.14 H new ATOM 0 HZ1 LYS A 399 5.780 10.666 9.391 1.00 5.24 H new ATOM 0 HZ2 LYS A 399 4.865 12.094 9.315 1.00 5.24 H new ATOM 0 HZ3 LYS A 399 4.210 10.704 10.037 1.00 5.24 H new ATOM 95 N GLU A 400 -0.948 12.623 5.103 1.00 53.34 N ATOM 96 CA GLU A 400 -0.833 13.543 3.953 1.00 54.51 C ATOM 97 C GLU A 400 -0.548 15.032 4.360 1.00 75.11 C ATOM 98 O GLU A 400 -0.670 15.410 5.526 1.00 31.05 O ATOM 99 CB GLU A 400 -2.067 13.497 3.018 1.00 42.30 C ATOM 100 CG GLU A 400 -3.244 14.286 3.550 1.00 75.45 C ATOM 101 CD GLU A 400 -3.882 15.138 2.498 1.00 11.53 C ATOM 102 OE1 GLU A 400 -3.321 16.181 2.165 1.00 64.25 O ATOM 103 OE2 GLU A 400 -4.951 14.749 2.014 1.00 44.44 O ATOM 0 H GLU A 400 -1.876 12.214 5.214 1.00 53.34 H new ATOM 0 HA GLU A 400 0.036 13.172 3.409 1.00 54.51 H new ATOM 0 HB2 GLU A 400 -1.788 13.887 2.039 1.00 42.30 H new ATOM 0 HB3 GLU A 400 -2.368 12.459 2.874 1.00 42.30 H new ATOM 0 HG2 GLU A 400 -3.986 13.598 3.956 1.00 75.45 H new ATOM 0 HG3 GLU A 400 -2.912 14.918 4.374 1.00 75.45 H new ATOM 110 N GLY A 401 -0.158 15.859 3.369 1.00 64.42 N ATOM 111 CA GLY A 401 0.398 17.185 3.653 1.00 30.23 C ATOM 112 C GLY A 401 -0.533 18.302 3.187 1.00 65.01 C ATOM 113 O GLY A 401 -1.361 18.736 3.984 1.00 40.04 O ATOM 0 H GLY A 401 -0.219 15.630 2.377 1.00 64.42 H new ATOM 0 HA2 GLY A 401 0.576 17.283 4.724 1.00 30.23 H new ATOM 0 HA3 GLY A 401 1.364 17.287 3.159 1.00 30.23 H new ATOM 117 N PRO A 402 -0.448 18.844 1.924 1.00 11.25 N ATOM 118 CA PRO A 402 -1.413 19.839 1.482 1.00 71.22 C ATOM 119 C PRO A 402 -2.542 19.309 0.569 1.00 40.50 C ATOM 120 O PRO A 402 -2.368 18.305 -0.150 1.00 23.12 O ATOM 121 CB PRO A 402 -0.489 20.810 0.724 1.00 25.34 C ATOM 122 CG PRO A 402 0.486 19.941 0.012 1.00 30.22 C ATOM 123 CD PRO A 402 0.599 18.659 0.850 1.00 61.23 C ATOM 0 HA PRO A 402 -1.980 20.261 2.312 1.00 71.22 H new ATOM 0 HB2 PRO A 402 -1.053 21.425 0.023 1.00 25.34 H new ATOM 0 HB3 PRO A 402 0.016 21.490 1.410 1.00 25.34 H new ATOM 0 HG2 PRO A 402 0.145 19.718 -0.999 1.00 30.22 H new ATOM 0 HG3 PRO A 402 1.454 20.434 -0.080 1.00 30.22 H new ATOM 0 HD2 PRO A 402 0.406 17.770 0.250 1.00 61.23 H new ATOM 0 HD3 PRO A 402 1.596 18.545 1.277 1.00 61.23 H new ATOM 131 N GLU A 403 -3.724 19.967 0.683 1.00 41.32 N ATOM 132 CA GLU A 403 -4.693 20.099 -0.408 1.00 53.15 C ATOM 133 C GLU A 403 -3.879 20.290 -1.720 1.00 4.02 C ATOM 134 O GLU A 403 -3.068 21.224 -1.839 1.00 10.45 O ATOM 135 CB GLU A 403 -5.631 21.326 -0.058 1.00 73.33 C ATOM 136 CG GLU A 403 -5.257 22.732 -0.592 1.00 53.52 C ATOM 137 CD GLU A 403 -6.034 23.117 -1.845 1.00 5.04 C ATOM 138 OE1 GLU A 403 -5.987 22.392 -2.843 1.00 10.04 O ATOM 139 OE2 GLU A 403 -6.704 24.153 -1.821 1.00 14.22 O ATOM 0 H GLU A 403 -4.023 20.420 1.546 1.00 41.32 H new ATOM 0 HA GLU A 403 -5.333 19.227 -0.540 1.00 53.15 H new ATOM 0 HB2 GLU A 403 -6.631 21.091 -0.422 1.00 73.33 H new ATOM 0 HB3 GLU A 403 -5.695 21.392 1.028 1.00 73.33 H new ATOM 0 HG2 GLU A 403 -5.443 23.472 0.186 1.00 53.52 H new ATOM 0 HG3 GLU A 403 -4.189 22.760 -0.810 1.00 53.52 H new ATOM 146 N GLY A 404 -3.976 19.343 -2.649 1.00 70.02 N ATOM 147 CA GLY A 404 -2.971 19.291 -3.659 1.00 75.42 C ATOM 148 C GLY A 404 -2.681 17.869 -4.141 1.00 54.21 C ATOM 149 O GLY A 404 -3.077 17.493 -5.242 1.00 13.41 O ATOM 0 H GLY A 404 -4.712 18.639 -2.710 1.00 70.02 H new ATOM 0 HA2 GLY A 404 -3.285 19.899 -4.507 1.00 75.42 H new ATOM 0 HA3 GLY A 404 -2.052 19.732 -3.273 1.00 75.42 H new ATOM 153 N ALA A 405 -2.044 17.045 -3.275 1.00 51.21 N ATOM 154 CA ALA A 405 -1.567 15.704 -3.668 1.00 31.14 C ATOM 155 C ALA A 405 -2.157 14.581 -2.767 1.00 13.14 C ATOM 156 O ALA A 405 -1.857 14.557 -1.565 1.00 52.33 O ATOM 157 CB ALA A 405 -0.063 15.721 -3.415 1.00 55.14 C ATOM 0 H ALA A 405 -1.851 17.288 -2.303 1.00 51.21 H new ATOM 0 HA ALA A 405 -1.857 15.502 -4.699 1.00 31.14 H new ATOM 0 HB1 ALA A 405 0.362 14.754 -3.685 1.00 55.14 H new ATOM 0 HB2 ALA A 405 0.399 16.502 -4.019 1.00 55.14 H new ATOM 0 HB3 ALA A 405 0.126 15.919 -2.360 1.00 55.14 H new ATOM 163 N ASN A 406 -2.991 13.656 -3.326 1.00 12.54 N ATOM 164 CA ASN A 406 -3.124 12.226 -2.787 1.00 32.12 C ATOM 165 C ASN A 406 -3.613 11.134 -3.883 1.00 20.03 C ATOM 166 O ASN A 406 -4.720 11.270 -4.394 1.00 73.34 O ATOM 167 CB ASN A 406 -4.049 12.327 -1.497 1.00 51.14 C ATOM 168 CG ASN A 406 -5.298 13.208 -1.675 1.00 62.43 C ATOM 169 OD1 ASN A 406 -5.942 13.151 -2.710 1.00 71.24 O ATOM 170 ND2 ASN A 406 -5.597 14.121 -0.731 1.00 54.12 N ATOM 0 H ASN A 406 -3.581 13.849 -4.136 1.00 12.54 H new ATOM 0 HA ASN A 406 -2.144 11.829 -2.521 1.00 32.12 H new ATOM 0 HB2 ASN A 406 -4.365 11.323 -1.213 1.00 51.14 H new ATOM 0 HB3 ASN A 406 -3.457 12.721 -0.671 1.00 51.14 H new ATOM 0 HD21 ASN A 406 -6.368 14.773 -0.878 1.00 54.12 H new ATOM 0 HD22 ASN A 406 -5.053 14.161 0.131 1.00 54.12 H new ATOM 177 N LEU A 407 -2.803 10.040 -4.257 1.00 43.34 N ATOM 178 CA LEU A 407 -3.299 8.942 -5.208 1.00 0.40 C ATOM 179 C LEU A 407 -3.290 7.485 -4.518 1.00 73.11 C ATOM 180 O LEU A 407 -2.346 7.184 -3.788 1.00 54.01 O ATOM 181 CB LEU A 407 -2.500 8.945 -6.617 1.00 71.23 C ATOM 182 CG LEU A 407 -0.928 8.731 -6.735 1.00 70.41 C ATOM 183 CD1 LEU A 407 -0.145 9.741 -5.995 1.00 64.44 C ATOM 184 CD2 LEU A 407 -0.447 7.349 -6.340 1.00 61.34 C ATOM 0 H LEU A 407 -1.847 9.905 -3.927 1.00 43.34 H new ATOM 0 HA LEU A 407 -4.339 9.178 -5.433 1.00 0.40 H new ATOM 0 HB2 LEU A 407 -2.962 8.174 -7.233 1.00 71.23 H new ATOM 0 HB3 LEU A 407 -2.716 9.903 -7.090 1.00 71.23 H new ATOM 0 HG LEU A 407 -0.748 8.850 -7.803 1.00 70.41 H new ATOM 0 HD11 LEU A 407 0.919 9.537 -6.117 1.00 64.44 H new ATOM 0 HD12 LEU A 407 -0.371 10.734 -6.384 1.00 64.44 H new ATOM 0 HD13 LEU A 407 -0.404 9.698 -4.937 1.00 64.44 H new ATOM 0 HD21 LEU A 407 0.636 7.295 -6.452 1.00 61.34 H new ATOM 0 HD22 LEU A 407 -0.715 7.154 -5.302 1.00 61.34 H new ATOM 0 HD23 LEU A 407 -0.916 6.603 -6.982 1.00 61.34 H new ATOM 196 N PHE A 408 -4.333 6.588 -4.722 1.00 63.44 N ATOM 197 CA PHE A 408 -4.277 5.162 -4.232 1.00 54.22 C ATOM 198 C PHE A 408 -4.429 4.149 -5.412 1.00 52.40 C ATOM 199 O PHE A 408 -4.860 4.525 -6.499 1.00 53.42 O ATOM 200 CB PHE A 408 -5.292 4.781 -3.073 1.00 32.52 C ATOM 201 CG PHE A 408 -5.260 5.614 -1.797 1.00 54.13 C ATOM 202 CD1 PHE A 408 -4.070 6.117 -1.269 1.00 61.11 C ATOM 203 CD2 PHE A 408 -6.444 5.889 -1.123 1.00 23.42 C ATOM 204 CE1 PHE A 408 -4.061 6.883 -0.115 1.00 72.15 C ATOM 205 CE2 PHE A 408 -6.440 6.643 0.031 1.00 11.12 C ATOM 206 CZ PHE A 408 -5.252 7.144 0.532 1.00 33.50 C ATOM 0 H PHE A 408 -5.196 6.827 -5.210 1.00 63.44 H new ATOM 0 HA PHE A 408 -3.286 5.089 -3.784 1.00 54.22 H new ATOM 0 HB2 PHE A 408 -6.301 4.833 -3.481 1.00 32.52 H new ATOM 0 HB3 PHE A 408 -5.112 3.741 -2.799 1.00 32.52 H new ATOM 0 HD1 PHE A 408 -3.137 5.905 -1.770 1.00 61.11 H new ATOM 0 HD2 PHE A 408 -7.378 5.507 -1.508 1.00 23.42 H new ATOM 0 HE1 PHE A 408 -3.132 7.272 0.274 1.00 72.15 H new ATOM 0 HE2 PHE A 408 -7.368 6.843 0.546 1.00 11.12 H new ATOM 0 HZ PHE A 408 -5.256 7.741 1.432 1.00 33.50 H new ATOM 216 N ILE A 409 -4.062 2.856 -5.177 1.00 70.15 N ATOM 217 CA ILE A 409 -3.808 1.843 -6.295 1.00 32.10 C ATOM 218 C ILE A 409 -4.985 0.758 -6.282 1.00 43.41 C ATOM 219 O ILE A 409 -5.088 0.020 -5.296 1.00 64.11 O ATOM 220 CB ILE A 409 -2.362 1.069 -6.211 1.00 11.34 C ATOM 221 CG1 ILE A 409 -1.066 1.970 -6.468 1.00 30.21 C ATOM 222 CG2 ILE A 409 -2.249 -0.131 -7.229 1.00 1.42 C ATOM 223 CD1 ILE A 409 -0.898 3.351 -5.797 1.00 75.14 C ATOM 0 H ILE A 409 -3.931 2.474 -4.240 1.00 70.15 H new ATOM 0 HA ILE A 409 -3.784 2.415 -7.223 1.00 32.10 H new ATOM 0 HB ILE A 409 -2.364 0.737 -5.173 1.00 11.34 H new ATOM 0 HG12 ILE A 409 -0.202 1.371 -6.181 1.00 30.21 H new ATOM 0 HG13 ILE A 409 -1.000 2.130 -7.544 1.00 30.21 H new ATOM 0 HG21 ILE A 409 -1.272 -0.604 -7.127 1.00 1.42 H new ATOM 0 HG22 ILE A 409 -3.030 -0.862 -7.018 1.00 1.42 H new ATOM 0 HG23 ILE A 409 -2.367 0.242 -8.246 1.00 1.42 H new ATOM 0 HD11 ILE A 409 0.049 3.793 -6.106 1.00 75.14 H new ATOM 0 HD12 ILE A 409 -1.718 4.004 -6.098 1.00 75.14 H new ATOM 0 HD13 ILE A 409 -0.907 3.233 -4.713 1.00 75.14 H new ATOM 235 N TYR A 410 -5.881 0.647 -7.345 1.00 1.23 N ATOM 236 CA TYR A 410 -6.850 -0.497 -7.462 1.00 13.31 C ATOM 237 C TYR A 410 -6.210 -1.589 -8.370 1.00 53.05 C ATOM 238 O TYR A 410 -5.562 -1.232 -9.355 1.00 41.43 O ATOM 239 CB TYR A 410 -8.224 0.007 -8.089 1.00 52.51 C ATOM 240 CG TYR A 410 -9.364 0.489 -7.203 1.00 71.14 C ATOM 241 CD1 TYR A 410 -9.207 1.310 -6.090 1.00 22.13 C ATOM 242 CD2 TYR A 410 -10.658 0.095 -7.531 1.00 32.30 C ATOM 243 CE1 TYR A 410 -10.292 1.703 -5.341 1.00 73.35 C ATOM 244 CE2 TYR A 410 -11.737 0.483 -6.785 1.00 23.14 C ATOM 245 CZ TYR A 410 -11.556 1.289 -5.684 1.00 21.23 C ATOM 246 OH TYR A 410 -12.640 1.677 -4.924 1.00 2.54 O ATOM 0 H TYR A 410 -5.941 1.323 -8.106 1.00 1.23 H new ATOM 0 HA TYR A 410 -7.061 -0.910 -6.476 1.00 13.31 H new ATOM 0 HB2 TYR A 410 -7.983 0.823 -8.770 1.00 52.51 H new ATOM 0 HB3 TYR A 410 -8.616 -0.809 -8.696 1.00 52.51 H new ATOM 0 HD1 TYR A 410 -8.219 1.643 -5.810 1.00 22.13 H new ATOM 0 HD2 TYR A 410 -10.814 -0.533 -8.396 1.00 32.30 H new ATOM 0 HE1 TYR A 410 -10.149 2.339 -4.480 1.00 73.35 H new ATOM 0 HE2 TYR A 410 -12.729 0.157 -7.060 1.00 23.14 H new ATOM 0 HH TYR A 410 -13.459 1.298 -5.305 1.00 2.54 H new ATOM 256 N HIS A 411 -6.345 -2.927 -8.003 1.00 33.44 N ATOM 257 CA HIS A 411 -5.705 -4.047 -8.767 1.00 31.51 C ATOM 258 C HIS A 411 -4.161 -4.110 -8.593 1.00 42.03 C ATOM 259 O HIS A 411 -3.425 -3.763 -9.519 1.00 63.22 O ATOM 260 CB HIS A 411 -6.025 -4.047 -10.272 1.00 74.34 C ATOM 261 CG HIS A 411 -7.446 -4.297 -10.663 1.00 74.43 C ATOM 262 ND1 HIS A 411 -8.414 -4.782 -9.812 1.00 21.41 N ATOM 263 CD2 HIS A 411 -8.069 -4.055 -11.838 1.00 62.44 C ATOM 264 CE1 HIS A 411 -9.573 -4.838 -10.453 1.00 22.24 C ATOM 265 NE2 HIS A 411 -9.388 -4.398 -11.682 1.00 34.11 N ATOM 0 H HIS A 411 -6.885 -3.235 -7.194 1.00 33.44 H new ATOM 0 HA HIS A 411 -6.154 -4.934 -8.319 1.00 31.51 H new ATOM 0 HB2 HIS A 411 -5.725 -3.083 -10.682 1.00 74.34 H new ATOM 0 HB3 HIS A 411 -5.404 -4.804 -10.751 1.00 74.34 H new ATOM 0 HD2 HIS A 411 -7.612 -3.663 -12.735 1.00 62.44 H new ATOM 0 HE1 HIS A 411 -10.508 -5.185 -10.039 1.00 22.24 H new ATOM 0 HE2 HIS A 411 -10.109 -4.325 -12.400 1.00 34.11 H new ATOM 274 N LEU A 412 -3.669 -4.494 -7.401 1.00 21.52 N ATOM 275 CA LEU A 412 -2.235 -4.382 -7.082 1.00 11.23 C ATOM 276 C LEU A 412 -1.509 -5.674 -7.582 1.00 25.52 C ATOM 277 O LEU A 412 -1.871 -6.765 -7.129 1.00 51.31 O ATOM 278 CB LEU A 412 -2.050 -4.098 -5.525 1.00 61.52 C ATOM 279 CG LEU A 412 -0.649 -4.384 -4.864 1.00 72.01 C ATOM 280 CD1 LEU A 412 -0.188 -3.294 -3.896 1.00 4.20 C ATOM 281 CD2 LEU A 412 -0.611 -5.714 -4.085 1.00 0.44 C ATOM 0 H LEU A 412 -4.238 -4.881 -6.649 1.00 21.52 H new ATOM 0 HA LEU A 412 -1.776 -3.537 -7.596 1.00 11.23 H new ATOM 0 HB2 LEU A 412 -2.290 -3.049 -5.350 1.00 61.52 H new ATOM 0 HB3 LEU A 412 -2.794 -4.689 -4.991 1.00 61.52 H new ATOM 0 HG LEU A 412 0.023 -4.422 -5.721 1.00 72.01 H new ATOM 0 HD11 LEU A 412 0.784 -3.562 -3.482 1.00 4.20 H new ATOM 0 HD12 LEU A 412 -0.107 -2.346 -4.428 1.00 4.20 H new ATOM 0 HD13 LEU A 412 -0.912 -3.195 -3.087 1.00 4.20 H new ATOM 0 HD21 LEU A 412 0.380 -5.855 -3.653 1.00 0.44 H new ATOM 0 HD22 LEU A 412 -1.354 -5.690 -3.288 1.00 0.44 H new ATOM 0 HD23 LEU A 412 -0.832 -6.539 -4.762 1.00 0.44 H new ATOM 293 N PRO A 413 -0.537 -5.595 -8.575 1.00 72.42 N ATOM 294 CA PRO A 413 0.203 -6.777 -9.095 1.00 21.13 C ATOM 295 C PRO A 413 1.152 -7.514 -8.109 1.00 1.04 C ATOM 296 O PRO A 413 1.282 -7.151 -6.941 1.00 25.43 O ATOM 297 CB PRO A 413 0.874 -6.309 -10.353 1.00 54.44 C ATOM 298 CG PRO A 413 1.059 -4.874 -10.180 1.00 34.45 C ATOM 299 CD PRO A 413 -0.112 -4.378 -9.372 1.00 42.24 C ATOM 0 HA PRO A 413 -0.510 -7.581 -9.280 1.00 21.13 H new ATOM 0 HB2 PRO A 413 1.829 -6.814 -10.500 1.00 54.44 H new ATOM 0 HB3 PRO A 413 0.261 -6.524 -11.229 1.00 54.44 H new ATOM 0 HG2 PRO A 413 1.998 -4.664 -9.668 1.00 34.45 H new ATOM 0 HG3 PRO A 413 1.103 -4.371 -11.146 1.00 34.45 H new ATOM 0 HD2 PRO A 413 0.172 -3.551 -8.721 1.00 42.24 H new ATOM 0 HD3 PRO A 413 -0.917 -4.017 -10.012 1.00 42.24 H new ATOM 307 N GLN A 414 1.838 -8.531 -8.661 1.00 12.30 N ATOM 308 CA GLN A 414 2.192 -9.843 -8.071 1.00 52.13 C ATOM 309 C GLN A 414 2.438 -10.011 -6.503 1.00 11.15 C ATOM 310 O GLN A 414 1.620 -10.691 -5.877 1.00 4.45 O ATOM 311 CB GLN A 414 3.513 -10.191 -8.842 1.00 12.22 C ATOM 312 CG GLN A 414 4.428 -8.968 -9.219 1.00 53.00 C ATOM 313 CD GLN A 414 5.585 -8.691 -8.253 1.00 24.30 C ATOM 314 OE1 GLN A 414 6.105 -9.598 -7.615 1.00 1.41 O ATOM 315 NE2 GLN A 414 5.978 -7.420 -8.138 1.00 43.30 N ATOM 0 H GLN A 414 2.192 -8.453 -9.615 1.00 12.30 H new ATOM 0 HA GLN A 414 1.319 -10.487 -8.178 1.00 52.13 H new ATOM 0 HB2 GLN A 414 4.095 -10.882 -8.233 1.00 12.22 H new ATOM 0 HB3 GLN A 414 3.248 -10.719 -9.758 1.00 12.22 H new ATOM 0 HG2 GLN A 414 4.840 -9.137 -10.214 1.00 53.00 H new ATOM 0 HG3 GLN A 414 3.806 -8.075 -9.279 1.00 53.00 H new ATOM 0 HE21 GLN A 414 5.520 -6.693 -8.687 1.00 43.30 H new ATOM 0 HE22 GLN A 414 6.737 -7.176 -7.501 1.00 43.30 H new ATOM 324 N GLU A 415 3.481 -9.453 -5.843 1.00 11.12 N ATOM 325 CA GLU A 415 3.520 -9.397 -4.341 1.00 43.23 C ATOM 326 C GLU A 415 3.587 -7.950 -3.786 1.00 55.22 C ATOM 327 O GLU A 415 3.761 -7.772 -2.573 1.00 51.43 O ATOM 328 CB GLU A 415 4.576 -10.419 -3.724 1.00 73.13 C ATOM 329 CG GLU A 415 5.813 -9.848 -3.012 1.00 52.12 C ATOM 330 CD GLU A 415 7.136 -10.183 -3.686 1.00 32.22 C ATOM 331 OE1 GLU A 415 7.416 -9.623 -4.766 1.00 15.44 O ATOM 332 OE2 GLU A 415 7.917 -10.988 -3.115 1.00 74.24 O ATOM 0 H GLU A 415 4.293 -9.042 -6.303 1.00 11.12 H new ATOM 0 HA GLU A 415 2.556 -9.758 -3.981 1.00 43.23 H new ATOM 0 HB2 GLU A 415 4.047 -11.055 -3.014 1.00 73.13 H new ATOM 0 HB3 GLU A 415 4.925 -11.064 -4.531 1.00 73.13 H new ATOM 0 HG2 GLU A 415 5.714 -8.764 -2.951 1.00 52.12 H new ATOM 0 HG3 GLU A 415 5.835 -10.224 -1.989 1.00 52.12 H new ATOM 339 N PHE A 416 3.197 -6.947 -4.629 1.00 70.44 N ATOM 340 CA PHE A 416 3.840 -5.574 -4.594 1.00 53.11 C ATOM 341 C PHE A 416 3.737 -4.975 -3.142 1.00 12.35 C ATOM 342 O PHE A 416 2.663 -4.540 -2.726 1.00 44.21 O ATOM 343 CB PHE A 416 3.182 -4.538 -5.601 1.00 15.42 C ATOM 344 CG PHE A 416 3.955 -3.939 -6.761 1.00 32.42 C ATOM 345 CD1 PHE A 416 5.005 -4.543 -7.457 1.00 20.45 C ATOM 346 CD2 PHE A 416 3.525 -2.685 -7.179 1.00 73.14 C ATOM 347 CE1 PHE A 416 5.587 -3.896 -8.540 1.00 75.13 C ATOM 348 CE2 PHE A 416 4.110 -2.037 -8.238 1.00 12.25 C ATOM 349 CZ PHE A 416 5.137 -2.641 -8.928 1.00 73.44 C ATOM 0 H PHE A 416 2.461 -7.047 -5.328 1.00 70.44 H new ATOM 0 HA PHE A 416 4.876 -5.720 -4.898 1.00 53.11 H new ATOM 0 HB2 PHE A 416 2.306 -5.027 -6.027 1.00 15.42 H new ATOM 0 HB3 PHE A 416 2.820 -3.703 -5.001 1.00 15.42 H new ATOM 0 HD1 PHE A 416 5.365 -5.515 -7.153 1.00 20.45 H new ATOM 0 HD2 PHE A 416 2.709 -2.208 -6.657 1.00 73.14 H new ATOM 0 HE1 PHE A 416 6.392 -4.371 -9.082 1.00 75.13 H new ATOM 0 HE2 PHE A 416 3.766 -1.056 -8.529 1.00 12.25 H new ATOM 0 HZ PHE A 416 5.592 -2.140 -9.770 1.00 73.44 H new ATOM 359 N GLY A 417 4.855 -5.006 -2.358 1.00 31.51 N ATOM 360 CA GLY A 417 4.832 -4.654 -0.923 1.00 15.02 C ATOM 361 C GLY A 417 5.582 -3.344 -0.596 1.00 72.35 C ATOM 362 O GLY A 417 5.919 -2.620 -1.526 1.00 60.23 O ATOM 0 H GLY A 417 5.777 -5.272 -2.704 1.00 31.51 H new ATOM 0 HA2 GLY A 417 3.796 -4.561 -0.597 1.00 15.02 H new ATOM 0 HA3 GLY A 417 5.275 -5.469 -0.350 1.00 15.02 H new ATOM 366 N ASP A 418 5.837 -3.061 0.735 1.00 13.10 N ATOM 367 CA ASP A 418 6.490 -1.763 1.223 1.00 4.11 C ATOM 368 C ASP A 418 7.765 -1.366 0.427 1.00 42.21 C ATOM 369 O ASP A 418 7.825 -0.253 -0.126 1.00 4.35 O ATOM 370 CB ASP A 418 6.783 -1.693 2.801 1.00 4.13 C ATOM 371 CG ASP A 418 7.956 -0.787 3.180 1.00 31.13 C ATOM 372 OD1 ASP A 418 7.776 0.440 3.189 1.00 21.22 O ATOM 373 OD2 ASP A 418 9.044 -1.324 3.492 1.00 15.32 O ATOM 0 H ASP A 418 5.605 -3.705 1.491 1.00 13.10 H new ATOM 0 HA ASP A 418 5.714 -1.025 1.019 1.00 4.11 H new ATOM 0 HB2 ASP A 418 5.886 -1.340 3.311 1.00 4.13 H new ATOM 0 HB3 ASP A 418 6.983 -2.700 3.167 1.00 4.13 H new ATOM 378 N GLN A 419 8.760 -2.271 0.388 1.00 11.15 N ATOM 379 CA GLN A 419 10.029 -2.064 -0.324 1.00 41.54 C ATOM 380 C GLN A 419 9.852 -1.745 -1.823 1.00 45.45 C ATOM 381 O GLN A 419 10.560 -0.867 -2.337 1.00 41.34 O ATOM 382 CB GLN A 419 11.015 -3.252 -0.135 1.00 31.42 C ATOM 383 CG GLN A 419 10.543 -4.593 -0.706 1.00 12.34 C ATOM 384 CD GLN A 419 9.634 -5.399 0.221 1.00 24.02 C ATOM 385 OE1 GLN A 419 10.117 -6.159 1.052 1.00 11.12 O ATOM 386 NE2 GLN A 419 8.319 -5.245 0.092 1.00 72.44 N ATOM 0 H GLN A 419 8.702 -3.176 0.856 1.00 11.15 H new ATOM 0 HA GLN A 419 10.465 -1.179 0.140 1.00 41.54 H new ATOM 0 HB2 GLN A 419 11.965 -2.992 -0.602 1.00 31.42 H new ATOM 0 HB3 GLN A 419 11.207 -3.377 0.931 1.00 31.42 H new ATOM 0 HG2 GLN A 419 10.013 -4.408 -1.641 1.00 12.34 H new ATOM 0 HG3 GLN A 419 11.417 -5.196 -0.949 1.00 12.34 H new ATOM 0 HE21 GLN A 419 7.947 -4.605 -0.609 1.00 72.44 H new ATOM 0 HE22 GLN A 419 7.683 -5.767 0.694 1.00 72.44 H new ATOM 395 N ASP A 420 8.921 -2.438 -2.515 1.00 51.44 N ATOM 396 CA ASP A 420 8.635 -2.118 -3.939 1.00 51.45 C ATOM 397 C ASP A 420 8.155 -0.666 -4.113 1.00 50.23 C ATOM 398 O ASP A 420 8.716 0.077 -4.917 1.00 62.22 O ATOM 399 CB ASP A 420 7.632 -3.092 -4.599 1.00 12.51 C ATOM 400 CG ASP A 420 6.522 -2.378 -5.329 1.00 13.33 C ATOM 401 OD1 ASP A 420 6.770 -1.884 -6.447 1.00 2.54 O ATOM 402 OD2 ASP A 420 5.435 -2.244 -4.733 1.00 21.02 O ATOM 0 H ASP A 420 8.367 -3.202 -2.128 1.00 51.44 H new ATOM 0 HA ASP A 420 9.587 -2.240 -4.456 1.00 51.45 H new ATOM 0 HB2 ASP A 420 8.165 -3.737 -5.298 1.00 12.51 H new ATOM 0 HB3 ASP A 420 7.201 -3.738 -3.834 1.00 12.51 H new ATOM 407 N ILE A 421 7.106 -0.286 -3.355 1.00 53.12 N ATOM 408 CA ILE A 421 6.377 0.965 -3.581 1.00 30.33 C ATOM 409 C ILE A 421 7.270 2.179 -3.258 1.00 44.40 C ATOM 410 O ILE A 421 6.991 3.309 -3.700 1.00 12.10 O ATOM 411 CB ILE A 421 4.980 1.003 -2.769 1.00 11.23 C ATOM 412 CG1 ILE A 421 3.733 1.093 -3.704 1.00 63.00 C ATOM 413 CG2 ILE A 421 4.895 2.088 -1.684 1.00 62.50 C ATOM 414 CD1 ILE A 421 2.458 1.617 -3.057 1.00 22.44 C ATOM 0 H ILE A 421 6.747 -0.838 -2.576 1.00 53.12 H new ATOM 0 HA ILE A 421 6.118 1.017 -4.638 1.00 30.33 H new ATOM 0 HB ILE A 421 4.967 0.042 -2.256 1.00 11.23 H new ATOM 0 HG12 ILE A 421 3.981 1.736 -4.548 1.00 63.00 H new ATOM 0 HG13 ILE A 421 3.532 0.101 -4.108 1.00 63.00 H new ATOM 0 HG21 ILE A 421 3.923 2.037 -1.193 1.00 62.50 H new ATOM 0 HG22 ILE A 421 5.682 1.928 -0.947 1.00 62.50 H new ATOM 0 HG23 ILE A 421 5.019 3.070 -2.141 1.00 62.50 H new ATOM 0 HD11 ILE A 421 1.657 1.638 -3.796 1.00 22.44 H new ATOM 0 HD12 ILE A 421 2.174 0.964 -2.232 1.00 22.44 H new ATOM 0 HD13 ILE A 421 2.629 2.625 -2.679 1.00 22.44 H new ATOM 426 N LEU A 422 8.377 1.925 -2.541 1.00 33.23 N ATOM 427 CA LEU A 422 9.195 2.984 -2.080 1.00 11.25 C ATOM 428 C LEU A 422 10.207 3.319 -3.196 1.00 63.42 C ATOM 429 O LEU A 422 10.526 4.484 -3.419 1.00 32.45 O ATOM 430 CB LEU A 422 9.885 2.694 -0.673 1.00 2.13 C ATOM 431 CG LEU A 422 10.811 3.823 -0.091 1.00 73.34 C ATOM 432 CD1 LEU A 422 10.056 5.139 0.219 1.00 50.21 C ATOM 433 CD2 LEU A 422 11.533 3.416 1.200 1.00 41.14 C ATOM 0 H LEU A 422 8.698 0.991 -2.285 1.00 33.23 H new ATOM 0 HA LEU A 422 8.571 3.855 -1.877 1.00 11.25 H new ATOM 0 HB2 LEU A 422 9.100 2.490 0.055 1.00 2.13 H new ATOM 0 HB3 LEU A 422 10.477 1.784 -0.766 1.00 2.13 H new ATOM 0 HG LEU A 422 11.533 3.982 -0.891 1.00 73.34 H new ATOM 0 HD11 LEU A 422 10.755 5.874 0.617 1.00 50.21 H new ATOM 0 HD12 LEU A 422 9.606 5.524 -0.696 1.00 50.21 H new ATOM 0 HD13 LEU A 422 9.275 4.946 0.954 1.00 50.21 H new ATOM 0 HD21 LEU A 422 12.154 4.242 1.545 1.00 41.14 H new ATOM 0 HD22 LEU A 422 10.798 3.170 1.966 1.00 41.14 H new ATOM 0 HD23 LEU A 422 12.161 2.546 1.007 1.00 41.14 H new ATOM 445 N GLN A 423 10.665 2.264 -3.906 1.00 52.32 N ATOM 446 CA GLN A 423 11.605 2.394 -5.057 1.00 1.35 C ATOM 447 C GLN A 423 10.909 2.632 -6.420 1.00 64.14 C ATOM 448 O GLN A 423 11.282 3.576 -7.107 1.00 34.42 O ATOM 449 CB GLN A 423 12.542 1.163 -5.222 1.00 15.12 C ATOM 450 CG GLN A 423 13.366 0.723 -3.997 1.00 30.31 C ATOM 451 CD GLN A 423 13.811 -0.719 -4.144 1.00 21.40 C ATOM 452 OE1 GLN A 423 14.863 -0.992 -4.709 1.00 35.43 O ATOM 453 NE2 GLN A 423 13.022 -1.647 -3.627 1.00 21.13 N ATOM 0 H GLN A 423 10.399 1.300 -3.704 1.00 52.32 H new ATOM 0 HA GLN A 423 12.187 3.278 -4.795 1.00 1.35 H new ATOM 0 HB2 GLN A 423 11.932 0.317 -5.538 1.00 15.12 H new ATOM 0 HB3 GLN A 423 13.236 1.376 -6.035 1.00 15.12 H new ATOM 0 HG2 GLN A 423 14.237 1.369 -3.887 1.00 30.31 H new ATOM 0 HG3 GLN A 423 12.770 0.835 -3.091 1.00 30.31 H new ATOM 0 HE21 GLN A 423 12.154 -1.378 -3.164 1.00 21.13 H new ATOM 0 HE22 GLN A 423 13.282 -2.631 -3.691 1.00 21.13 H new ATOM 462 N MET A 424 9.956 1.752 -6.843 1.00 24.55 N ATOM 463 CA MET A 424 9.309 1.854 -8.219 1.00 12.32 C ATOM 464 C MET A 424 8.590 3.231 -8.431 1.00 22.51 C ATOM 465 O MET A 424 8.474 3.695 -9.568 1.00 43.33 O ATOM 466 CB MET A 424 8.329 0.614 -8.575 1.00 35.11 C ATOM 467 CG MET A 424 7.744 0.506 -10.045 1.00 32.32 C ATOM 468 SD MET A 424 9.007 0.066 -11.251 1.00 14.41 S ATOM 469 CE MET A 424 9.396 -1.608 -10.735 1.00 34.00 C ATOM 0 H MET A 424 9.614 0.975 -6.278 1.00 24.55 H new ATOM 0 HA MET A 424 10.135 1.795 -8.928 1.00 12.32 H new ATOM 0 HB2 MET A 424 8.872 -0.308 -8.367 1.00 35.11 H new ATOM 0 HB3 MET A 424 7.486 0.650 -7.885 1.00 35.11 H new ATOM 0 HG2 MET A 424 6.950 -0.241 -10.064 1.00 32.32 H new ATOM 0 HG3 MET A 424 7.293 1.458 -10.325 1.00 32.32 H new ATOM 0 HE1 MET A 424 9.843 -2.151 -11.568 1.00 34.00 H new ATOM 0 HE2 MET A 424 10.099 -1.578 -9.902 1.00 34.00 H new ATOM 0 HE3 MET A 424 8.483 -2.114 -10.421 1.00 34.00 H new ATOM 479 N PHE A 425 8.166 3.920 -7.342 1.00 24.41 N ATOM 480 CA PHE A 425 7.398 5.155 -7.453 1.00 40.31 C ATOM 481 C PHE A 425 8.309 6.378 -7.120 1.00 13.42 C ATOM 482 O PHE A 425 7.846 7.513 -7.125 1.00 10.33 O ATOM 483 CB PHE A 425 6.136 4.982 -6.581 1.00 63.21 C ATOM 484 CG PHE A 425 4.797 5.034 -7.304 1.00 22.22 C ATOM 485 CD1 PHE A 425 4.230 3.859 -7.776 1.00 11.21 C ATOM 486 CD2 PHE A 425 4.068 6.224 -7.458 1.00 43.42 C ATOM 487 CE1 PHE A 425 3.000 3.858 -8.386 1.00 11.01 C ATOM 488 CE2 PHE A 425 2.824 6.221 -8.055 1.00 1.31 C ATOM 489 CZ PHE A 425 2.292 5.041 -8.516 1.00 64.31 C ATOM 0 H PHE A 425 8.351 3.629 -6.382 1.00 24.41 H new ATOM 0 HA PHE A 425 7.051 5.363 -8.465 1.00 40.31 H new ATOM 0 HB2 PHE A 425 6.207 4.025 -6.064 1.00 63.21 H new ATOM 0 HB3 PHE A 425 6.141 5.759 -5.816 1.00 63.21 H new ATOM 0 HD1 PHE A 425 4.766 2.928 -7.662 1.00 11.21 H new ATOM 0 HD2 PHE A 425 4.487 7.155 -7.104 1.00 43.42 H new ATOM 0 HE1 PHE A 425 2.585 2.935 -8.764 1.00 11.01 H new ATOM 0 HE2 PHE A 425 2.271 7.143 -8.160 1.00 1.31 H new ATOM 0 HZ PHE A 425 1.318 5.036 -8.982 1.00 64.31 H new ATOM 499 N MET A 426 9.617 6.116 -6.820 1.00 31.41 N ATOM 500 CA MET A 426 10.599 7.122 -6.357 1.00 23.42 C ATOM 501 C MET A 426 11.061 8.159 -7.418 1.00 72.22 C ATOM 502 O MET A 426 11.054 9.335 -7.093 1.00 54.10 O ATOM 503 CB MET A 426 11.884 6.451 -5.821 1.00 21.10 C ATOM 504 CG MET A 426 12.379 7.101 -4.546 1.00 41.22 C ATOM 505 SD MET A 426 14.069 6.655 -4.074 1.00 13.23 S ATOM 506 CE MET A 426 13.850 5.051 -3.311 1.00 42.34 C ATOM 0 H MET A 426 10.016 5.180 -6.898 1.00 31.41 H new ATOM 0 HA MET A 426 10.045 7.654 -5.584 1.00 23.42 H new ATOM 0 HB2 MET A 426 11.690 5.394 -5.637 1.00 21.10 H new ATOM 0 HB3 MET A 426 12.664 6.504 -6.581 1.00 21.10 H new ATOM 0 HG2 MET A 426 12.322 8.183 -4.661 1.00 41.22 H new ATOM 0 HG3 MET A 426 11.706 6.831 -3.732 1.00 41.22 H new ATOM 0 HE1 MET A 426 14.544 4.947 -2.476 1.00 42.34 H new ATOM 0 HE2 MET A 426 12.827 4.958 -2.946 1.00 42.34 H new ATOM 0 HE3 MET A 426 14.046 4.269 -4.045 1.00 42.34 H new ATOM 516 N PRO A 427 11.540 7.751 -8.663 1.00 45.34 N ATOM 517 CA PRO A 427 12.281 8.639 -9.647 1.00 74.24 C ATOM 518 C PRO A 427 11.642 10.011 -10.110 1.00 55.42 C ATOM 519 O PRO A 427 12.237 10.678 -10.958 1.00 51.02 O ATOM 520 CB PRO A 427 12.499 7.662 -10.842 1.00 25.42 C ATOM 521 CG PRO A 427 11.393 6.701 -10.689 1.00 55.34 C ATOM 522 CD PRO A 427 11.479 6.384 -9.249 1.00 32.35 C ATOM 0 HA PRO A 427 13.168 9.046 -9.162 1.00 74.24 H new ATOM 0 HB2 PRO A 427 12.454 8.180 -11.800 1.00 25.42 H new ATOM 0 HB3 PRO A 427 13.471 7.171 -10.790 1.00 25.42 H new ATOM 0 HG2 PRO A 427 10.430 7.137 -10.957 1.00 55.34 H new ATOM 0 HG3 PRO A 427 11.528 5.817 -11.313 1.00 55.34 H new ATOM 0 HD2 PRO A 427 10.613 5.822 -8.898 1.00 32.35 H new ATOM 0 HD3 PRO A 427 12.362 5.792 -9.009 1.00 32.35 H new ATOM 530 N PHE A 428 10.467 10.440 -9.588 1.00 34.22 N ATOM 531 CA PHE A 428 9.950 11.825 -9.831 1.00 55.00 C ATOM 532 C PHE A 428 9.745 12.689 -8.533 1.00 25.21 C ATOM 533 O PHE A 428 9.035 13.695 -8.609 1.00 70.25 O ATOM 534 CB PHE A 428 8.620 11.870 -10.667 1.00 64.24 C ATOM 535 CG PHE A 428 8.393 10.818 -11.766 1.00 71.43 C ATOM 536 CD1 PHE A 428 8.884 11.008 -13.064 1.00 14.15 C ATOM 537 CD2 PHE A 428 7.617 9.679 -11.520 1.00 75.13 C ATOM 538 CE1 PHE A 428 8.616 10.088 -14.068 1.00 74.12 C ATOM 539 CE2 PHE A 428 7.361 8.754 -12.527 1.00 13.03 C ATOM 540 CZ PHE A 428 7.857 8.963 -13.798 1.00 24.04 C ATOM 0 H PHE A 428 9.862 9.863 -9.004 1.00 34.22 H new ATOM 0 HA PHE A 428 10.758 12.268 -10.414 1.00 55.00 H new ATOM 0 HB2 PHE A 428 7.788 11.798 -9.966 1.00 64.24 H new ATOM 0 HB3 PHE A 428 8.559 12.853 -11.135 1.00 64.24 H new ATOM 0 HD1 PHE A 428 9.479 11.882 -13.286 1.00 14.15 H new ATOM 0 HD2 PHE A 428 7.211 9.516 -10.533 1.00 75.13 H new ATOM 0 HE1 PHE A 428 9.001 10.251 -15.064 1.00 74.12 H new ATOM 0 HE2 PHE A 428 6.774 7.873 -12.314 1.00 13.03 H new ATOM 0 HZ PHE A 428 7.653 8.249 -14.582 1.00 24.04 H new ATOM 550 N GLY A 429 10.356 12.375 -7.358 1.00 33.31 N ATOM 551 CA GLY A 429 10.270 13.311 -6.232 1.00 72.25 C ATOM 552 C GLY A 429 10.050 12.609 -4.853 1.00 34.32 C ATOM 553 O GLY A 429 9.894 11.386 -4.835 1.00 12.40 O ATOM 0 H GLY A 429 10.886 11.522 -7.181 1.00 33.31 H new ATOM 0 HA2 GLY A 429 11.186 13.900 -6.189 1.00 72.25 H new ATOM 0 HA3 GLY A 429 9.451 14.008 -6.411 1.00 72.25 H new ATOM 557 N ASN A 430 10.018 13.368 -3.697 1.00 60.52 N ATOM 558 CA ASN A 430 10.026 12.723 -2.344 1.00 42.42 C ATOM 559 C ASN A 430 8.599 12.310 -1.820 1.00 10.31 C ATOM 560 O ASN A 430 7.627 13.060 -1.956 1.00 54.42 O ATOM 561 CB ASN A 430 10.807 13.587 -1.293 1.00 3.22 C ATOM 562 CG ASN A 430 10.272 14.969 -0.965 1.00 22.44 C ATOM 563 OD1 ASN A 430 9.772 15.688 -1.827 1.00 72.01 O ATOM 564 ND2 ASN A 430 10.326 15.333 0.336 1.00 31.25 N ATOM 0 H ASN A 430 9.988 14.387 -3.682 1.00 60.52 H new ATOM 0 HA ASN A 430 10.565 11.785 -2.474 1.00 42.42 H new ATOM 0 HB2 ASN A 430 10.855 13.019 -0.364 1.00 3.22 H new ATOM 0 HB3 ASN A 430 11.830 13.702 -1.650 1.00 3.22 H new ATOM 0 HD21 ASN A 430 9.944 16.232 0.630 1.00 31.25 H new ATOM 0 HD22 ASN A 430 10.749 14.709 1.023 1.00 31.25 H new ATOM 571 N VAL A 431 8.506 11.065 -1.261 1.00 24.11 N ATOM 572 CA VAL A 431 7.216 10.382 -0.903 1.00 74.12 C ATOM 573 C VAL A 431 7.049 10.164 0.668 1.00 24.24 C ATOM 574 O VAL A 431 8.011 9.729 1.314 1.00 63.11 O ATOM 575 CB VAL A 431 7.128 9.044 -1.768 1.00 55.13 C ATOM 576 CG1 VAL A 431 8.454 8.323 -1.810 1.00 74.14 C ATOM 577 CG2 VAL A 431 6.083 7.998 -1.357 1.00 32.21 C ATOM 0 H VAL A 431 9.328 10.501 -1.044 1.00 24.11 H new ATOM 0 HA VAL A 431 6.365 11.016 -1.152 1.00 74.12 H new ATOM 0 HB VAL A 431 6.816 9.440 -2.734 1.00 55.13 H new ATOM 0 HG11 VAL A 431 8.357 7.417 -2.408 1.00 74.14 H new ATOM 0 HG12 VAL A 431 9.207 8.972 -2.256 1.00 74.14 H new ATOM 0 HG13 VAL A 431 8.757 8.059 -0.797 1.00 74.14 H new ATOM 0 HG21 VAL A 431 6.138 7.144 -2.032 1.00 32.21 H new ATOM 0 HG22 VAL A 431 6.281 7.667 -0.337 1.00 32.21 H new ATOM 0 HG23 VAL A 431 5.087 8.439 -1.409 1.00 32.21 H new ATOM 587 N ILE A 432 5.849 10.457 1.302 1.00 2.13 N ATOM 588 CA ILE A 432 5.751 10.486 2.807 1.00 64.52 C ATOM 589 C ILE A 432 4.931 9.284 3.455 1.00 12.01 C ATOM 590 O ILE A 432 4.971 9.104 4.676 1.00 53.31 O ATOM 591 CB ILE A 432 5.128 11.835 3.374 1.00 3.03 C ATOM 592 CG1 ILE A 432 5.299 13.042 2.419 1.00 13.32 C ATOM 593 CG2 ILE A 432 5.736 12.233 4.726 1.00 33.42 C ATOM 594 CD1 ILE A 432 4.879 14.410 3.000 1.00 40.43 C ATOM 0 H ILE A 432 4.978 10.666 0.814 1.00 2.13 H new ATOM 0 HA ILE A 432 6.797 10.394 3.098 1.00 64.52 H new ATOM 0 HB ILE A 432 4.067 11.610 3.483 1.00 3.03 H new ATOM 0 HG12 ILE A 432 6.345 13.100 2.117 1.00 13.32 H new ATOM 0 HG13 ILE A 432 4.717 12.855 1.517 1.00 13.32 H new ATOM 0 HG21 ILE A 432 5.279 13.160 5.072 1.00 33.42 H new ATOM 0 HG22 ILE A 432 5.551 11.443 5.454 1.00 33.42 H new ATOM 0 HG23 ILE A 432 6.810 12.379 4.613 1.00 33.42 H new ATOM 0 HD11 ILE A 432 5.038 15.187 2.252 1.00 40.43 H new ATOM 0 HD12 ILE A 432 3.824 14.381 3.274 1.00 40.43 H new ATOM 0 HD13 ILE A 432 5.478 14.629 3.884 1.00 40.43 H new ATOM 606 N SER A 433 4.137 8.522 2.676 1.00 25.42 N ATOM 607 CA SER A 433 3.360 7.346 3.188 1.00 65.13 C ATOM 608 C SER A 433 3.517 6.071 2.290 1.00 1.11 C ATOM 609 O SER A 433 3.318 6.138 1.075 1.00 43.43 O ATOM 610 CB SER A 433 1.859 7.748 3.248 1.00 33.10 C ATOM 611 OG SER A 433 1.671 9.054 3.787 1.00 40.34 O ATOM 0 H SER A 433 4.008 8.693 1.679 1.00 25.42 H new ATOM 0 HA SER A 433 3.750 7.088 4.173 1.00 65.13 H new ATOM 0 HB2 SER A 433 1.433 7.706 2.245 1.00 33.10 H new ATOM 0 HB3 SER A 433 1.315 7.025 3.856 1.00 33.10 H new ATOM 0 HG SER A 433 0.739 9.330 3.659 1.00 40.34 H new ATOM 617 N ALA A 434 3.881 4.913 2.928 1.00 54.42 N ATOM 618 CA ALA A 434 3.858 3.548 2.282 1.00 5.02 C ATOM 619 C ALA A 434 3.284 2.438 3.262 1.00 32.52 C ATOM 620 O ALA A 434 3.898 2.209 4.309 1.00 23.34 O ATOM 621 CB ALA A 434 5.277 3.163 1.820 1.00 50.31 C ATOM 0 H ALA A 434 4.197 4.894 3.898 1.00 54.42 H new ATOM 0 HA ALA A 434 3.193 3.600 1.420 1.00 5.02 H new ATOM 0 HB1 ALA A 434 5.253 2.177 1.355 1.00 50.31 H new ATOM 0 HB2 ALA A 434 5.636 3.896 1.098 1.00 50.31 H new ATOM 0 HB3 ALA A 434 5.947 3.142 2.680 1.00 50.31 H new ATOM 627 N LYS A 435 2.100 1.771 2.958 1.00 15.25 N ATOM 628 CA LYS A 435 1.573 0.616 3.754 1.00 34.44 C ATOM 629 C LYS A 435 0.621 -0.288 2.864 1.00 52.44 C ATOM 630 O LYS A 435 -0.268 0.264 2.200 1.00 32.35 O ATOM 631 CB LYS A 435 0.893 1.048 5.117 1.00 30.32 C ATOM 632 CG LYS A 435 -0.374 1.895 5.133 1.00 53.02 C ATOM 633 CD LYS A 435 -1.611 1.008 5.087 1.00 5.04 C ATOM 634 CE LYS A 435 -2.919 1.767 4.946 1.00 52.34 C ATOM 635 NZ LYS A 435 -2.886 3.131 5.544 1.00 13.40 N ATOM 0 H LYS A 435 1.507 2.025 2.168 1.00 15.25 H new ATOM 0 HA LYS A 435 2.433 0.015 4.048 1.00 34.44 H new ATOM 0 HB2 LYS A 435 0.671 0.133 5.666 1.00 30.32 H new ATOM 0 HB3 LYS A 435 1.645 1.590 5.691 1.00 30.32 H new ATOM 0 HG2 LYS A 435 -0.395 2.511 6.032 1.00 53.02 H new ATOM 0 HG3 LYS A 435 -0.375 2.574 4.281 1.00 53.02 H new ATOM 0 HD2 LYS A 435 -1.515 0.314 4.252 1.00 5.04 H new ATOM 0 HD3 LYS A 435 -1.648 0.409 5.997 1.00 5.04 H new ATOM 0 HE2 LYS A 435 -3.169 1.849 3.888 1.00 52.34 H new ATOM 0 HE3 LYS A 435 -3.716 1.192 5.418 1.00 52.34 H new ATOM 0 HZ1 LYS A 435 -3.846 3.531 5.549 1.00 13.40 H new ATOM 0 HZ2 LYS A 435 -2.530 3.074 6.519 1.00 13.40 H new ATOM 0 HZ3 LYS A 435 -2.259 3.741 4.982 1.00 13.40 H new ATOM 649 N VAL A 436 0.805 -1.655 2.802 1.00 71.43 N ATOM 650 CA VAL A 436 -0.272 -2.543 2.211 1.00 2.12 C ATOM 651 C VAL A 436 -1.081 -3.198 3.388 1.00 3.15 C ATOM 652 O VAL A 436 -0.829 -4.317 3.841 1.00 63.04 O ATOM 653 CB VAL A 436 0.326 -3.604 1.137 1.00 50.54 C ATOM 654 CG1 VAL A 436 -0.622 -4.750 0.752 1.00 62.12 C ATOM 655 CG2 VAL A 436 0.757 -2.964 -0.202 1.00 15.23 C ATOM 0 H VAL A 436 1.637 -2.145 3.132 1.00 71.43 H new ATOM 0 HA VAL A 436 -0.968 -1.945 1.622 1.00 2.12 H new ATOM 0 HB VAL A 436 1.182 -3.993 1.689 1.00 50.54 H new ATOM 0 HG11 VAL A 436 -0.130 -5.403 0.031 1.00 62.12 H new ATOM 0 HG12 VAL A 436 -0.881 -5.323 1.642 1.00 62.12 H new ATOM 0 HG13 VAL A 436 -1.529 -4.339 0.309 1.00 62.12 H new ATOM 0 HG21 VAL A 436 1.145 -3.736 -0.866 1.00 15.23 H new ATOM 0 HG22 VAL A 436 -0.103 -2.483 -0.669 1.00 15.23 H new ATOM 0 HG23 VAL A 436 1.533 -2.221 -0.017 1.00 15.23 H new ATOM 665 N PHE A 437 -1.995 -2.351 3.934 1.00 24.23 N ATOM 666 CA PHE A 437 -3.155 -2.688 4.808 1.00 23.53 C ATOM 667 C PHE A 437 -4.486 -2.070 4.280 1.00 72.34 C ATOM 668 O PHE A 437 -4.454 -1.087 3.539 1.00 64.25 O ATOM 669 CB PHE A 437 -2.947 -2.307 6.307 1.00 65.33 C ATOM 670 CG PHE A 437 -2.556 -3.448 7.234 1.00 34.23 C ATOM 671 CD1 PHE A 437 -3.519 -4.214 7.886 1.00 64.22 C ATOM 672 CD2 PHE A 437 -1.223 -3.753 7.464 1.00 21.42 C ATOM 673 CE1 PHE A 437 -3.153 -5.256 8.720 1.00 31.22 C ATOM 674 CE2 PHE A 437 -0.854 -4.787 8.297 1.00 73.21 C ATOM 675 CZ PHE A 437 -1.821 -5.543 8.919 1.00 10.53 C ATOM 0 H PHE A 437 -1.938 -1.347 3.765 1.00 24.23 H new ATOM 0 HA PHE A 437 -3.228 -3.775 4.763 1.00 23.53 H new ATOM 0 HB2 PHE A 437 -2.176 -1.539 6.363 1.00 65.33 H new ATOM 0 HB3 PHE A 437 -3.869 -1.861 6.680 1.00 65.33 H new ATOM 0 HD1 PHE A 437 -4.566 -3.992 7.739 1.00 64.22 H new ATOM 0 HD2 PHE A 437 -0.456 -3.167 6.979 1.00 21.42 H new ATOM 0 HE1 PHE A 437 -3.912 -5.844 9.215 1.00 31.22 H new ATOM 0 HE2 PHE A 437 0.191 -5.003 8.461 1.00 73.21 H new ATOM 0 HZ PHE A 437 -1.535 -6.361 9.563 1.00 10.53 H new ATOM 866 N GLY A 449 -3.435 -0.552 -2.371 1.00 51.44 N ATOM 867 CA GLY A 449 -2.184 0.156 -1.858 1.00 34.34 C ATOM 868 C GLY A 449 -2.226 1.691 -1.771 1.00 4.13 C ATOM 869 O GLY A 449 -2.912 2.337 -2.562 1.00 4.41 O ATOM 0 HA2 GLY A 449 -1.961 -0.232 -0.864 1.00 34.34 H new ATOM 0 HA3 GLY A 449 -1.351 -0.122 -2.503 1.00 34.34 H new ATOM 873 N PHE A 450 -1.490 2.262 -0.761 1.00 63.24 N ATOM 874 CA PHE A 450 -1.590 3.718 -0.409 1.00 42.51 C ATOM 875 C PHE A 450 -0.222 4.531 -0.679 1.00 3.34 C ATOM 876 O PHE A 450 0.788 4.181 -0.053 1.00 42.05 O ATOM 877 CB PHE A 450 -1.999 3.728 1.113 1.00 4.40 C ATOM 878 CG PHE A 450 -3.386 3.239 1.457 1.00 25.24 C ATOM 879 CD1 PHE A 450 -3.814 1.962 1.127 1.00 43.10 C ATOM 880 CD2 PHE A 450 -4.240 4.054 2.157 1.00 13.24 C ATOM 881 CE1 PHE A 450 -5.053 1.498 1.465 1.00 13.30 C ATOM 882 CE2 PHE A 450 -5.498 3.606 2.513 1.00 64.41 C ATOM 883 CZ PHE A 450 -5.894 2.317 2.163 1.00 45.21 C ATOM 0 H PHE A 450 -0.829 1.741 -0.184 1.00 63.24 H new ATOM 0 HA PHE A 450 -2.319 4.230 -1.037 1.00 42.51 H new ATOM 0 HB2 PHE A 450 -1.280 3.118 1.660 1.00 4.40 H new ATOM 0 HB3 PHE A 450 -1.899 4.748 1.483 1.00 4.40 H new ATOM 0 HD1 PHE A 450 -3.144 1.312 0.584 1.00 43.10 H new ATOM 0 HD2 PHE A 450 -3.927 5.051 2.431 1.00 13.24 H new ATOM 0 HE1 PHE A 450 -5.362 0.502 1.185 1.00 13.30 H new ATOM 0 HE2 PHE A 450 -6.170 4.251 3.059 1.00 64.41 H new ATOM 0 HZ PHE A 450 -6.874 1.962 2.446 1.00 45.21 H new ATOM 893 N VAL A 451 -0.132 5.602 -1.605 1.00 33.04 N ATOM 894 CA VAL A 451 1.132 6.436 -1.709 1.00 11.24 C ATOM 895 C VAL A 451 0.780 7.989 -1.637 1.00 63.13 C ATOM 896 O VAL A 451 -0.236 8.370 -2.218 1.00 55.14 O ATOM 897 CB VAL A 451 1.939 6.240 -3.070 1.00 74.21 C ATOM 898 CG1 VAL A 451 3.401 5.941 -2.862 1.00 42.15 C ATOM 899 CG2 VAL A 451 1.354 5.274 -4.078 1.00 3.51 C ATOM 0 H VAL A 451 -0.880 5.877 -2.242 1.00 33.04 H new ATOM 0 HA VAL A 451 1.748 6.096 -0.876 1.00 11.24 H new ATOM 0 HB VAL A 451 1.832 7.227 -3.520 1.00 74.21 H new ATOM 0 HG11 VAL A 451 3.889 5.819 -3.829 1.00 42.15 H new ATOM 0 HG12 VAL A 451 3.867 6.765 -2.321 1.00 42.15 H new ATOM 0 HG13 VAL A 451 3.506 5.022 -2.285 1.00 42.15 H new ATOM 0 HG21 VAL A 451 1.997 5.232 -4.957 1.00 3.51 H new ATOM 0 HG22 VAL A 451 1.283 4.282 -3.632 1.00 3.51 H new ATOM 0 HG23 VAL A 451 0.360 5.612 -4.371 1.00 3.51 H new ATOM 909 N SER A 452 1.575 8.899 -0.942 1.00 54.05 N ATOM 910 CA SER A 452 1.388 10.382 -1.075 1.00 35.24 C ATOM 911 C SER A 452 2.774 11.109 -1.443 1.00 13.13 C ATOM 912 O SER A 452 3.825 10.503 -1.237 1.00 41.32 O ATOM 913 CB SER A 452 0.841 10.933 0.256 1.00 71.23 C ATOM 914 OG SER A 452 1.817 10.863 1.286 1.00 55.25 O ATOM 0 H SER A 452 2.325 8.627 -0.307 1.00 54.05 H new ATOM 0 HA SER A 452 0.683 10.581 -1.882 1.00 35.24 H new ATOM 0 HB2 SER A 452 0.526 11.968 0.121 1.00 71.23 H new ATOM 0 HB3 SER A 452 -0.042 10.366 0.551 1.00 71.23 H new ATOM 0 HG SER A 452 1.539 10.203 1.955 1.00 55.25 H new ATOM 920 N TYR A 453 2.760 12.408 -1.948 1.00 54.03 N ATOM 921 CA TYR A 453 3.985 13.225 -2.348 1.00 45.14 C ATOM 922 C TYR A 453 3.954 14.654 -1.699 1.00 61.43 C ATOM 923 O TYR A 453 2.969 14.983 -1.034 1.00 62.51 O ATOM 924 CB TYR A 453 3.975 13.412 -3.859 1.00 55.31 C ATOM 925 CG TYR A 453 4.520 12.296 -4.760 1.00 24.42 C ATOM 926 CD1 TYR A 453 5.891 12.072 -5.007 1.00 70.12 C ATOM 927 CD2 TYR A 453 3.621 11.535 -5.469 1.00 44.24 C ATOM 928 CE1 TYR A 453 6.292 11.118 -5.934 1.00 52.52 C ATOM 929 CE2 TYR A 453 4.022 10.589 -6.363 1.00 54.21 C ATOM 930 CZ TYR A 453 5.348 10.387 -6.600 1.00 24.30 C ATOM 931 OH TYR A 453 5.731 9.458 -7.522 1.00 60.21 O ATOM 0 H TYR A 453 1.889 12.920 -2.089 1.00 54.03 H new ATOM 0 HA TYR A 453 4.873 12.692 -2.009 1.00 45.14 H new ATOM 0 HB2 TYR A 453 2.944 13.600 -4.158 1.00 55.31 H new ATOM 0 HB3 TYR A 453 4.541 14.317 -4.080 1.00 55.31 H new ATOM 0 HD1 TYR A 453 6.633 12.646 -4.472 1.00 70.12 H new ATOM 0 HD2 TYR A 453 2.564 11.692 -5.312 1.00 44.24 H new ATOM 0 HE1 TYR A 453 7.342 10.955 -6.127 1.00 52.52 H new ATOM 0 HE2 TYR A 453 3.286 9.997 -6.886 1.00 54.21 H new ATOM 0 HH TYR A 453 6.463 8.918 -7.158 1.00 60.21 H new ATOM 941 N ASP A 454 5.027 15.508 -1.887 1.00 60.11 N ATOM 942 CA ASP A 454 5.056 16.868 -1.321 1.00 64.11 C ATOM 943 C ASP A 454 4.324 18.005 -2.122 1.00 63.02 C ATOM 944 O ASP A 454 3.929 18.983 -1.479 1.00 61.23 O ATOM 945 CB ASP A 454 6.497 17.324 -1.042 1.00 42.00 C ATOM 946 CG ASP A 454 7.172 16.569 0.094 1.00 41.01 C ATOM 947 OD1 ASP A 454 7.128 15.337 0.140 1.00 5.23 O ATOM 948 OD2 ASP A 454 7.743 17.233 0.961 1.00 61.55 O ATOM 0 H ASP A 454 5.860 15.261 -2.422 1.00 60.11 H new ATOM 0 HA ASP A 454 4.476 16.743 -0.407 1.00 64.11 H new ATOM 0 HB2 ASP A 454 7.089 17.202 -1.949 1.00 42.00 H new ATOM 0 HB3 ASP A 454 6.492 18.388 -0.806 1.00 42.00 H new ATOM 953 N ASN A 455 4.114 17.951 -3.480 1.00 41.35 N ATOM 954 CA ASN A 455 3.359 19.070 -4.148 1.00 53.20 C ATOM 955 C ASN A 455 2.564 18.706 -5.442 1.00 75.55 C ATOM 956 O ASN A 455 2.985 17.770 -6.123 1.00 31.22 O ATOM 957 CB ASN A 455 4.162 20.387 -4.281 1.00 35.22 C ATOM 958 CG ASN A 455 5.493 20.347 -5.057 1.00 61.14 C ATOM 959 OD1 ASN A 455 5.800 21.281 -5.796 1.00 74.25 O ATOM 960 ND2 ASN A 455 6.314 19.308 -4.881 1.00 23.32 N ATOM 0 H ASN A 455 4.431 17.202 -4.096 1.00 41.35 H new ATOM 0 HA ASN A 455 2.570 19.264 -3.421 1.00 53.20 H new ATOM 0 HB2 ASN A 455 3.518 21.124 -4.761 1.00 35.22 H new ATOM 0 HB3 ASN A 455 4.372 20.753 -3.276 1.00 35.22 H new ATOM 0 HD21 ASN A 455 7.212 19.280 -5.363 1.00 23.32 H new ATOM 0 HD22 ASN A 455 6.043 18.542 -4.264 1.00 23.32 H new ATOM 967 N PRO A 456 1.350 19.400 -5.809 1.00 61.30 N ATOM 968 CA PRO A 456 0.531 19.008 -6.999 1.00 10.32 C ATOM 969 C PRO A 456 1.215 18.958 -8.421 1.00 1.33 C ATOM 970 O PRO A 456 0.564 18.506 -9.371 1.00 40.53 O ATOM 971 CB PRO A 456 -0.696 19.974 -6.969 1.00 31.11 C ATOM 972 CG PRO A 456 -0.368 21.057 -6.025 1.00 65.40 C ATOM 973 CD PRO A 456 0.514 20.403 -5.019 1.00 45.45 C ATOM 0 HA PRO A 456 0.288 17.951 -6.891 1.00 10.32 H new ATOM 0 HB2 PRO A 456 -0.895 20.376 -7.963 1.00 31.11 H new ATOM 0 HB3 PRO A 456 -1.595 19.446 -6.653 1.00 31.11 H new ATOM 0 HG2 PRO A 456 0.140 21.882 -6.525 1.00 65.40 H new ATOM 0 HG3 PRO A 456 -1.265 21.468 -5.562 1.00 65.40 H new ATOM 0 HD2 PRO A 456 1.148 21.134 -4.517 1.00 45.45 H new ATOM 0 HD3 PRO A 456 -0.072 19.905 -4.247 1.00 45.45 H new ATOM 981 N VAL A 457 2.498 19.397 -8.590 1.00 3.01 N ATOM 982 CA VAL A 457 3.226 19.194 -9.894 1.00 72.41 C ATOM 983 C VAL A 457 3.743 17.711 -10.025 1.00 52.33 C ATOM 984 O VAL A 457 3.652 17.147 -11.123 1.00 25.42 O ATOM 985 CB VAL A 457 4.414 20.252 -10.162 1.00 54.03 C ATOM 986 CG1 VAL A 457 5.210 19.997 -11.464 1.00 22.33 C ATOM 987 CG2 VAL A 457 3.933 21.710 -10.262 1.00 54.01 C ATOM 0 H VAL A 457 3.039 19.878 -7.871 1.00 3.01 H new ATOM 0 HA VAL A 457 2.489 19.385 -10.674 1.00 72.41 H new ATOM 0 HB VAL A 457 5.046 20.102 -9.287 1.00 54.03 H new ATOM 0 HG11 VAL A 457 5.989 20.752 -11.568 1.00 22.33 H new ATOM 0 HG12 VAL A 457 5.667 19.008 -11.424 1.00 22.33 H new ATOM 0 HG13 VAL A 457 4.536 20.051 -12.319 1.00 22.33 H new ATOM 0 HG21 VAL A 457 4.787 22.363 -10.443 1.00 54.01 H new ATOM 0 HG22 VAL A 457 3.224 21.804 -11.085 1.00 54.01 H new ATOM 0 HG23 VAL A 457 3.447 21.998 -9.330 1.00 54.01 H new ATOM 997 N SER A 458 4.229 17.046 -8.924 1.00 14.23 N ATOM 998 CA SER A 458 4.772 15.649 -9.040 1.00 1.05 C ATOM 999 C SER A 458 3.671 14.544 -9.235 1.00 63.24 C ATOM 1000 O SER A 458 3.966 13.492 -9.810 1.00 60.40 O ATOM 1001 CB SER A 458 5.763 15.276 -7.887 1.00 11.12 C ATOM 1002 OG SER A 458 5.360 15.803 -6.634 1.00 44.14 O ATOM 0 H SER A 458 4.256 17.437 -7.982 1.00 14.23 H new ATOM 0 HA SER A 458 5.347 15.665 -9.966 1.00 1.05 H new ATOM 0 HB2 SER A 458 5.839 14.191 -7.814 1.00 11.12 H new ATOM 0 HB3 SER A 458 6.757 15.649 -8.132 1.00 11.12 H new ATOM 0 HG SER A 458 6.008 15.543 -5.946 1.00 44.14 H new ATOM 1008 N ALA A 459 2.409 14.781 -8.775 1.00 1.11 N ATOM 1009 CA ALA A 459 1.277 13.827 -8.997 1.00 62.44 C ATOM 1010 C ALA A 459 0.885 13.652 -10.483 1.00 71.42 C ATOM 1011 O ALA A 459 0.570 12.527 -10.877 1.00 25.25 O ATOM 1012 CB ALA A 459 0.015 14.118 -8.185 1.00 22.14 C ATOM 0 H ALA A 459 2.149 15.617 -8.252 1.00 1.11 H new ATOM 0 HA ALA A 459 1.699 12.892 -8.629 1.00 62.44 H new ATOM 0 HB1 ALA A 459 -0.746 13.373 -8.416 1.00 22.14 H new ATOM 0 HB2 ALA A 459 0.250 14.080 -7.121 1.00 22.14 H new ATOM 0 HB3 ALA A 459 -0.360 15.110 -8.438 1.00 22.14 H new ATOM 1018 N GLN A 460 0.911 14.736 -11.324 1.00 52.32 N ATOM 1019 CA GLN A 460 0.386 14.650 -12.711 1.00 3.24 C ATOM 1020 C GLN A 460 1.285 13.787 -13.605 1.00 52.13 C ATOM 1021 O GLN A 460 0.777 13.113 -14.509 1.00 54.52 O ATOM 1022 CB GLN A 460 0.121 16.028 -13.382 1.00 22.00 C ATOM 1023 CG GLN A 460 -0.946 16.900 -12.674 1.00 41.20 C ATOM 1024 CD GLN A 460 -2.162 16.121 -12.173 1.00 62.43 C ATOM 1025 OE1 GLN A 460 -3.122 15.906 -12.907 1.00 30.10 O ATOM 1026 NE2 GLN A 460 -2.137 15.723 -10.902 1.00 1.32 N ATOM 0 H GLN A 460 1.281 15.651 -11.067 1.00 52.32 H new ATOM 0 HA GLN A 460 -0.586 14.168 -12.609 1.00 3.24 H new ATOM 0 HB2 GLN A 460 1.058 16.584 -13.420 1.00 22.00 H new ATOM 0 HB3 GLN A 460 -0.192 15.860 -14.412 1.00 22.00 H new ATOM 0 HG2 GLN A 460 -0.481 17.408 -11.829 1.00 41.20 H new ATOM 0 HG3 GLN A 460 -1.283 17.673 -13.364 1.00 41.20 H new ATOM 0 HE21 GLN A 460 -1.321 15.920 -10.322 1.00 1.32 H new ATOM 0 HE22 GLN A 460 -2.933 15.222 -10.509 1.00 1.32 H new ATOM 1035 N ALA A 461 2.616 13.800 -13.351 1.00 52.15 N ATOM 1036 CA ALA A 461 3.539 12.911 -14.074 1.00 11.30 C ATOM 1037 C ALA A 461 3.341 11.407 -13.709 1.00 41.44 C ATOM 1038 O ALA A 461 3.403 10.565 -14.623 1.00 21.54 O ATOM 1039 CB ALA A 461 5.023 13.345 -13.966 1.00 55.11 C ATOM 0 H ALA A 461 3.062 14.407 -12.663 1.00 52.15 H new ATOM 0 HA ALA A 461 3.270 13.016 -15.125 1.00 11.30 H new ATOM 0 HB1 ALA A 461 5.648 12.646 -14.522 1.00 55.11 H new ATOM 0 HB2 ALA A 461 5.141 14.346 -14.381 1.00 55.11 H new ATOM 0 HB3 ALA A 461 5.326 13.349 -12.919 1.00 55.11 H new ATOM 1045 N ALA A 462 3.099 11.051 -12.404 1.00 23.42 N ATOM 1046 CA ALA A 462 2.825 9.643 -12.040 1.00 65.11 C ATOM 1047 C ALA A 462 1.515 9.094 -12.638 1.00 3.51 C ATOM 1048 O ALA A 462 1.551 7.995 -13.159 1.00 64.14 O ATOM 1049 CB ALA A 462 2.883 9.343 -10.528 1.00 42.44 C ATOM 0 H ALA A 462 3.091 11.705 -11.621 1.00 23.42 H new ATOM 0 HA ALA A 462 3.658 9.111 -12.500 1.00 65.11 H new ATOM 0 HB1 ALA A 462 2.669 8.288 -10.358 1.00 42.44 H new ATOM 0 HB2 ALA A 462 3.877 9.578 -10.148 1.00 42.44 H new ATOM 0 HB3 ALA A 462 2.143 9.951 -10.008 1.00 42.44 H new ATOM 1055 N ILE A 463 0.368 9.841 -12.589 1.00 62.33 N ATOM 1056 CA ILE A 463 -0.913 9.359 -13.139 1.00 44.15 C ATOM 1057 C ILE A 463 -0.748 8.957 -14.654 1.00 70.52 C ATOM 1058 O ILE A 463 -1.285 7.940 -15.036 1.00 33.21 O ATOM 1059 CB ILE A 463 -2.112 10.403 -12.887 1.00 71.24 C ATOM 1060 CG1 ILE A 463 -2.392 10.642 -11.320 1.00 21.23 C ATOM 1061 CG2 ILE A 463 -3.423 9.987 -13.594 1.00 51.32 C ATOM 1062 CD1 ILE A 463 -3.540 11.601 -10.963 1.00 4.42 C ATOM 0 H ILE A 463 0.318 10.772 -12.174 1.00 62.33 H new ATOM 0 HA ILE A 463 -1.199 8.457 -12.598 1.00 44.15 H new ATOM 0 HB ILE A 463 -1.774 11.342 -13.326 1.00 71.24 H new ATOM 0 HG12 ILE A 463 -2.600 9.676 -10.860 1.00 21.23 H new ATOM 0 HG13 ILE A 463 -1.477 11.022 -10.865 1.00 21.23 H new ATOM 0 HG21 ILE A 463 -4.197 10.727 -13.390 1.00 51.32 H new ATOM 0 HG22 ILE A 463 -3.253 9.927 -14.669 1.00 51.32 H new ATOM 0 HG23 ILE A 463 -3.744 9.014 -13.222 1.00 51.32 H new ATOM 0 HD11 ILE A 463 -3.627 11.677 -9.879 1.00 4.42 H new ATOM 0 HD12 ILE A 463 -3.334 12.587 -11.381 1.00 4.42 H new ATOM 0 HD13 ILE A 463 -4.474 11.220 -11.376 1.00 4.42 H new ATOM 1074 N GLN A 464 0.079 9.686 -15.471 1.00 72.14 N ATOM 1075 CA GLN A 464 0.316 9.311 -16.903 1.00 52.21 C ATOM 1076 C GLN A 464 1.271 8.077 -17.126 1.00 43.20 C ATOM 1077 O GLN A 464 0.938 7.237 -17.961 1.00 3.13 O ATOM 1078 CB GLN A 464 0.758 10.542 -17.758 1.00 11.43 C ATOM 1079 CG GLN A 464 0.115 10.609 -19.146 1.00 52.32 C ATOM 1080 CD GLN A 464 -0.548 11.964 -19.430 1.00 12.54 C ATOM 1081 OE1 GLN A 464 -0.547 12.426 -20.562 1.00 31.12 O ATOM 1082 NE2 GLN A 464 -1.153 12.591 -18.414 1.00 73.03 N ATOM 0 H GLN A 464 0.582 10.520 -15.168 1.00 72.14 H new ATOM 0 HA GLN A 464 -0.657 8.971 -17.258 1.00 52.21 H new ATOM 0 HB2 GLN A 464 0.514 11.454 -17.213 1.00 11.43 H new ATOM 0 HB3 GLN A 464 1.842 10.519 -17.873 1.00 11.43 H new ATOM 0 HG2 GLN A 464 0.875 10.416 -19.903 1.00 52.32 H new ATOM 0 HG3 GLN A 464 -0.631 9.819 -19.234 1.00 52.32 H new ATOM 0 HE21 GLN A 464 -1.137 12.181 -17.480 1.00 73.03 H new ATOM 0 HE22 GLN A 464 -1.630 13.478 -18.574 1.00 73.03 H new ATOM 1091 N ALA A 465 2.441 7.937 -16.433 1.00 24.44 N ATOM 1092 CA ALA A 465 3.308 6.704 -16.585 1.00 31.44 C ATOM 1093 C ALA A 465 2.768 5.462 -15.764 1.00 33.22 C ATOM 1094 O ALA A 465 3.344 4.376 -15.828 1.00 30.10 O ATOM 1095 CB ALA A 465 4.803 7.008 -16.257 1.00 21.14 C ATOM 0 H ALA A 465 2.805 8.632 -15.782 1.00 24.44 H new ATOM 0 HA ALA A 465 3.251 6.419 -17.636 1.00 31.44 H new ATOM 0 HB1 ALA A 465 5.394 6.100 -16.377 1.00 21.14 H new ATOM 0 HB2 ALA A 465 5.176 7.776 -16.935 1.00 21.14 H new ATOM 0 HB3 ALA A 465 4.885 7.361 -15.229 1.00 21.14 H new ATOM 1101 N MET A 466 1.658 5.650 -15.007 1.00 63.50 N ATOM 1102 CA MET A 466 1.035 4.624 -14.102 1.00 44.01 C ATOM 1103 C MET A 466 -0.416 4.253 -14.498 1.00 43.54 C ATOM 1104 O MET A 466 -0.928 3.243 -14.007 1.00 0.41 O ATOM 1105 CB MET A 466 1.081 5.037 -12.591 1.00 35.14 C ATOM 1106 CG MET A 466 2.407 4.790 -11.842 1.00 61.13 C ATOM 1107 SD MET A 466 3.885 5.513 -12.580 1.00 24.02 S ATOM 1108 CE MET A 466 5.110 4.897 -11.426 1.00 72.15 C ATOM 0 H MET A 466 1.152 6.536 -15.001 1.00 63.50 H new ATOM 0 HA MET A 466 1.654 3.737 -14.236 1.00 44.01 H new ATOM 0 HB2 MET A 466 0.845 6.099 -12.522 1.00 35.14 H new ATOM 0 HB3 MET A 466 0.290 4.500 -12.068 1.00 35.14 H new ATOM 0 HG2 MET A 466 2.305 5.178 -10.828 1.00 61.13 H new ATOM 0 HG3 MET A 466 2.558 3.714 -11.758 1.00 61.13 H new ATOM 0 HE1 MET A 466 6.099 5.246 -11.724 1.00 72.15 H new ATOM 0 HE2 MET A 466 4.883 5.263 -10.425 1.00 72.15 H new ATOM 0 HE3 MET A 466 5.095 3.807 -11.426 1.00 72.15 H new ATOM 1118 N ASN A 467 -1.116 5.024 -15.365 1.00 24.25 N ATOM 1119 CA ASN A 467 -2.349 4.500 -15.948 1.00 75.35 C ATOM 1120 C ASN A 467 -1.933 3.505 -17.096 1.00 72.23 C ATOM 1121 O ASN A 467 -1.156 3.907 -17.985 1.00 1.41 O ATOM 1122 CB ASN A 467 -3.388 5.596 -16.412 1.00 3.11 C ATOM 1123 CG ASN A 467 -2.925 6.803 -17.239 1.00 41.10 C ATOM 1124 OD1 ASN A 467 -3.460 7.884 -17.053 1.00 32.42 O ATOM 1125 ND2 ASN A 467 -1.973 6.665 -18.144 1.00 10.44 N ATOM 0 H ASN A 467 -0.855 5.965 -15.658 1.00 24.25 H new ATOM 0 HA ASN A 467 -2.909 3.977 -15.173 1.00 75.35 H new ATOM 0 HB2 ASN A 467 -4.158 5.086 -16.990 1.00 3.11 H new ATOM 0 HB3 ASN A 467 -3.868 5.985 -15.514 1.00 3.11 H new ATOM 0 HD21 ASN A 467 -1.676 7.468 -18.698 1.00 10.44 H new ATOM 0 HD22 ASN A 467 -1.535 5.755 -18.289 1.00 10.44 H new ATOM 1132 N GLY A 468 -2.386 2.211 -17.086 1.00 14.14 N ATOM 1133 CA GLY A 468 -1.910 1.256 -18.122 1.00 72.51 C ATOM 1134 C GLY A 468 -0.763 0.246 -17.778 1.00 30.33 C ATOM 1135 O GLY A 468 -0.201 -0.290 -18.728 1.00 21.44 O ATOM 0 H GLY A 468 -3.045 1.827 -16.408 1.00 14.14 H new ATOM 0 HA2 GLY A 468 -2.771 0.672 -18.447 1.00 72.51 H new ATOM 0 HA3 GLY A 468 -1.581 1.843 -18.979 1.00 72.51 H new ATOM 1139 N PHE A 469 -0.363 -0.040 -16.509 1.00 11.51 N ATOM 1140 CA PHE A 469 0.938 -0.787 -16.310 1.00 24.03 C ATOM 1141 C PHE A 469 0.723 -2.347 -16.433 1.00 23.44 C ATOM 1142 O PHE A 469 0.040 -2.934 -15.587 1.00 0.53 O ATOM 1143 CB PHE A 469 1.637 -0.397 -14.940 1.00 25.31 C ATOM 1144 CG PHE A 469 3.138 -0.621 -14.743 1.00 14.14 C ATOM 1145 CD1 PHE A 469 4.020 -0.968 -15.765 1.00 23.33 C ATOM 1146 CD2 PHE A 469 3.666 -0.431 -13.468 1.00 22.51 C ATOM 1147 CE1 PHE A 469 5.383 -1.110 -15.504 1.00 40.30 C ATOM 1148 CE2 PHE A 469 5.018 -0.579 -13.212 1.00 54.41 C ATOM 1149 CZ PHE A 469 5.869 -0.917 -14.236 1.00 61.22 C ATOM 0 H PHE A 469 -0.869 0.207 -15.658 1.00 11.51 H new ATOM 0 HA PHE A 469 1.616 -0.484 -17.108 1.00 24.03 H new ATOM 0 HB2 PHE A 469 1.445 0.663 -14.771 1.00 25.31 H new ATOM 0 HB3 PHE A 469 1.123 -0.944 -14.149 1.00 25.31 H new ATOM 0 HD1 PHE A 469 3.646 -1.128 -16.765 1.00 23.33 H new ATOM 0 HD2 PHE A 469 3.004 -0.161 -12.659 1.00 22.51 H new ATOM 0 HE1 PHE A 469 6.059 -1.373 -16.304 1.00 40.30 H new ATOM 0 HE2 PHE A 469 5.402 -0.430 -12.214 1.00 54.41 H new ATOM 0 HZ PHE A 469 6.925 -1.031 -14.042 1.00 61.22 H new ATOM 1159 N GLN A 470 1.291 -3.014 -17.497 1.00 63.21 N ATOM 1160 CA GLN A 470 1.060 -4.460 -17.751 1.00 74.41 C ATOM 1161 C GLN A 470 2.281 -5.371 -17.308 1.00 22.14 C ATOM 1162 O GLN A 470 3.379 -5.223 -17.851 1.00 45.45 O ATOM 1163 CB GLN A 470 0.704 -4.583 -19.264 1.00 61.14 C ATOM 1164 CG GLN A 470 0.420 -5.993 -19.847 1.00 53.43 C ATOM 1165 CD GLN A 470 -0.011 -5.998 -21.310 1.00 54.24 C ATOM 1166 OE1 GLN A 470 0.157 -7.000 -22.004 1.00 34.43 O ATOM 1167 NE2 GLN A 470 -0.494 -4.872 -21.804 1.00 32.33 N ATOM 0 H GLN A 470 1.904 -2.567 -18.179 1.00 63.21 H new ATOM 0 HA GLN A 470 0.240 -4.836 -17.139 1.00 74.41 H new ATOM 0 HB2 GLN A 470 -0.175 -3.965 -19.449 1.00 61.14 H new ATOM 0 HB3 GLN A 470 1.525 -4.148 -19.834 1.00 61.14 H new ATOM 0 HG2 GLN A 470 1.318 -6.602 -19.744 1.00 53.43 H new ATOM 0 HG3 GLN A 470 -0.358 -6.469 -19.251 1.00 53.43 H new ATOM 0 HE21 GLN A 470 -0.620 -4.061 -21.198 1.00 32.33 H new ATOM 0 HE22 GLN A 470 -0.741 -4.813 -22.792 1.00 32.33 H new ATOM 1176 N ILE A 471 2.082 -6.318 -16.306 1.00 24.23 N ATOM 1177 CA ILE A 471 3.204 -7.115 -15.641 1.00 41.21 C ATOM 1178 C ILE A 471 2.639 -8.544 -15.287 1.00 43.42 C ATOM 1179 O ILE A 471 2.027 -8.679 -14.215 1.00 2.43 O ATOM 1180 CB ILE A 471 3.725 -6.446 -14.266 1.00 71.12 C ATOM 1181 CG1 ILE A 471 3.482 -4.929 -14.294 1.00 53.12 C ATOM 1182 CG2 ILE A 471 5.225 -6.711 -13.939 1.00 53.13 C ATOM 1183 CD1 ILE A 471 4.063 -4.133 -13.143 1.00 72.45 C ATOM 0 H ILE A 471 1.157 -6.547 -15.942 1.00 24.23 H new ATOM 0 HA ILE A 471 4.042 -7.147 -16.338 1.00 41.21 H new ATOM 0 HB ILE A 471 3.148 -6.928 -13.477 1.00 71.12 H new ATOM 0 HG12 ILE A 471 3.892 -4.534 -15.224 1.00 53.12 H new ATOM 0 HG13 ILE A 471 2.406 -4.756 -14.321 1.00 53.12 H new ATOM 0 HG21 ILE A 471 5.484 -6.224 -12.999 1.00 53.13 H new ATOM 0 HG22 ILE A 471 5.394 -7.784 -13.850 1.00 53.13 H new ATOM 0 HG23 ILE A 471 5.848 -6.311 -14.739 1.00 53.13 H new ATOM 0 HD11 ILE A 471 3.826 -3.077 -13.274 1.00 72.45 H new ATOM 0 HD12 ILE A 471 3.637 -4.487 -12.204 1.00 72.45 H new ATOM 0 HD13 ILE A 471 5.145 -4.262 -13.121 1.00 72.45 H new ATOM 1195 N GLY A 472 2.796 -9.606 -16.168 1.00 2.54 N ATOM 1196 CA GLY A 472 2.138 -10.917 -15.932 1.00 71.01 C ATOM 1197 C GLY A 472 0.579 -10.797 -16.073 1.00 44.44 C ATOM 1198 O GLY A 472 0.122 -10.121 -16.998 1.00 63.13 O ATOM 0 H GLY A 472 3.359 -9.563 -17.017 1.00 2.54 H new ATOM 0 HA2 GLY A 472 2.516 -11.651 -16.644 1.00 71.01 H new ATOM 0 HA3 GLY A 472 2.390 -11.280 -14.936 1.00 71.01 H new ATOM 1202 N MET A 473 -0.236 -11.403 -15.166 1.00 54.12 N ATOM 1203 CA MET A 473 -1.762 -11.420 -15.312 1.00 31.24 C ATOM 1204 C MET A 473 -2.542 -10.375 -14.424 1.00 10.44 C ATOM 1205 O MET A 473 -3.704 -10.586 -14.086 1.00 13.33 O ATOM 1206 CB MET A 473 -2.333 -12.901 -15.203 1.00 43.35 C ATOM 1207 CG MET A 473 -2.266 -13.640 -13.843 1.00 1.31 C ATOM 1208 SD MET A 473 -3.671 -13.348 -12.744 1.00 22.02 S ATOM 1209 CE MET A 473 -2.898 -13.738 -11.174 1.00 12.41 C ATOM 0 H MET A 473 0.107 -11.884 -14.334 1.00 54.12 H new ATOM 0 HA MET A 473 -1.960 -11.062 -16.322 1.00 31.24 H new ATOM 0 HB2 MET A 473 -3.379 -12.873 -15.509 1.00 43.35 H new ATOM 0 HB3 MET A 473 -1.803 -13.511 -15.934 1.00 43.35 H new ATOM 0 HG2 MET A 473 -2.188 -14.711 -14.032 1.00 1.31 H new ATOM 0 HG3 MET A 473 -1.353 -13.340 -13.328 1.00 1.31 H new ATOM 0 HE1 MET A 473 -3.623 -13.612 -10.370 1.00 12.41 H new ATOM 0 HE2 MET A 473 -2.547 -14.770 -11.188 1.00 12.41 H new ATOM 0 HE3 MET A 473 -2.053 -13.069 -11.008 1.00 12.41 H new ATOM 1219 N LYS A 474 -1.953 -9.189 -14.143 1.00 42.30 N ATOM 1220 CA LYS A 474 -2.668 -8.119 -13.447 1.00 51.33 C ATOM 1221 C LYS A 474 -2.368 -6.780 -14.170 1.00 54.53 C ATOM 1222 O LYS A 474 -1.234 -6.591 -14.636 1.00 22.25 O ATOM 1223 CB LYS A 474 -2.262 -7.946 -11.944 1.00 72.44 C ATOM 1224 CG LYS A 474 -2.898 -8.962 -10.904 1.00 12.04 C ATOM 1225 CD LYS A 474 -3.697 -8.254 -9.772 1.00 64.32 C ATOM 1226 CE LYS A 474 -4.683 -9.153 -8.961 1.00 12.45 C ATOM 1227 NZ LYS A 474 -4.305 -9.255 -7.516 1.00 0.20 N ATOM 0 H LYS A 474 -0.990 -8.960 -14.390 1.00 42.30 H new ATOM 0 HA LYS A 474 -3.723 -8.391 -13.467 1.00 51.33 H new ATOM 0 HB2 LYS A 474 -1.177 -8.025 -11.875 1.00 72.44 H new ATOM 0 HB3 LYS A 474 -2.528 -6.935 -11.636 1.00 72.44 H new ATOM 0 HG2 LYS A 474 -3.559 -9.648 -11.433 1.00 12.04 H new ATOM 0 HG3 LYS A 474 -2.104 -9.563 -10.460 1.00 12.04 H new ATOM 0 HD2 LYS A 474 -2.985 -7.811 -9.076 1.00 64.32 H new ATOM 0 HD3 LYS A 474 -4.264 -7.434 -10.213 1.00 64.32 H new ATOM 0 HE2 LYS A 474 -5.691 -8.747 -9.042 1.00 12.45 H new ATOM 0 HE3 LYS A 474 -4.705 -10.151 -9.399 1.00 12.45 H new ATOM 0 HZ1 LYS A 474 -4.989 -9.862 -7.020 1.00 0.20 H new ATOM 0 HZ2 LYS A 474 -3.354 -9.667 -7.434 1.00 0.20 H new ATOM 0 HZ3 LYS A 474 -4.309 -8.307 -7.088 1.00 0.20 H new ATOM 1241 N ARG A 475 -3.350 -5.868 -14.305 1.00 54.35 N ATOM 1242 CA ARG A 475 -3.024 -4.477 -14.686 1.00 34.14 C ATOM 1243 C ARG A 475 -3.073 -3.498 -13.448 1.00 3.51 C ATOM 1244 O ARG A 475 -4.001 -3.596 -12.654 1.00 2.12 O ATOM 1245 CB ARG A 475 -3.979 -3.933 -15.817 1.00 1.23 C ATOM 1246 CG ARG A 475 -3.551 -2.625 -16.465 1.00 30.15 C ATOM 1247 CD ARG A 475 -3.241 -2.867 -17.948 1.00 5.25 C ATOM 1248 NE ARG A 475 -2.693 -4.225 -18.179 1.00 45.13 N ATOM 1249 CZ ARG A 475 -3.279 -5.197 -18.907 1.00 33.20 C ATOM 1250 NH1 ARG A 475 -4.460 -5.001 -19.498 1.00 15.11 N ATOM 1251 NH2 ARG A 475 -2.754 -6.414 -18.934 1.00 51.21 N ATOM 0 H ARG A 475 -4.342 -6.057 -14.162 1.00 54.35 H new ATOM 0 HA ARG A 475 -2.005 -4.506 -15.072 1.00 34.14 H new ATOM 0 HB2 ARG A 475 -4.062 -4.693 -16.594 1.00 1.23 H new ATOM 0 HB3 ARG A 475 -4.975 -3.800 -15.394 1.00 1.23 H new ATOM 0 HG2 ARG A 475 -4.341 -1.881 -16.364 1.00 30.15 H new ATOM 0 HG3 ARG A 475 -2.672 -2.227 -15.959 1.00 30.15 H new ATOM 0 HD2 ARG A 475 -4.150 -2.736 -18.536 1.00 5.25 H new ATOM 0 HD3 ARG A 475 -2.526 -2.122 -18.297 1.00 5.25 H new ATOM 0 HE ARG A 475 -1.794 -4.443 -17.750 1.00 45.13 H new ATOM 0 HH11 ARG A 475 -4.935 -4.103 -19.403 1.00 15.11 H new ATOM 0 HH12 ARG A 475 -4.887 -5.749 -20.045 1.00 15.11 H new ATOM 0 HH21 ARG A 475 -1.906 -6.616 -18.404 1.00 51.21 H new ATOM 0 HH22 ARG A 475 -3.198 -7.149 -19.485 1.00 51.21 H new ATOM 1265 N LEU A 476 -2.070 -2.580 -13.280 1.00 35.10 N ATOM 1266 CA LEU A 476 -2.165 -1.423 -12.318 1.00 72.13 C ATOM 1267 C LEU A 476 -3.300 -0.400 -12.760 1.00 34.11 C ATOM 1268 O LEU A 476 -3.250 0.055 -13.914 1.00 54.21 O ATOM 1269 CB LEU A 476 -0.832 -0.615 -12.352 1.00 51.51 C ATOM 1270 CG LEU A 476 -0.426 0.280 -11.150 1.00 65.54 C ATOM 1271 CD1 LEU A 476 0.403 -0.458 -10.084 1.00 11.04 C ATOM 1272 CD2 LEU A 476 0.392 1.461 -11.623 1.00 23.13 C ATOM 0 H LEU A 476 -1.189 -2.615 -13.794 1.00 35.10 H new ATOM 0 HA LEU A 476 -2.380 -1.837 -11.333 1.00 72.13 H new ATOM 0 HB2 LEU A 476 -0.025 -1.331 -12.508 1.00 51.51 H new ATOM 0 HB3 LEU A 476 -0.865 0.025 -13.234 1.00 51.51 H new ATOM 0 HG LEU A 476 -1.366 0.596 -10.697 1.00 65.54 H new ATOM 0 HD11 LEU A 476 0.650 0.229 -9.275 1.00 11.04 H new ATOM 0 HD12 LEU A 476 -0.175 -1.293 -9.687 1.00 11.04 H new ATOM 0 HD13 LEU A 476 1.322 -0.834 -10.534 1.00 11.04 H new ATOM 0 HD21 LEU A 476 0.668 2.078 -10.768 1.00 23.13 H new ATOM 0 HD22 LEU A 476 1.294 1.103 -12.119 1.00 23.13 H new ATOM 0 HD23 LEU A 476 -0.196 2.054 -12.323 1.00 23.13 H new ATOM 1284 N LYS A 477 -4.310 -0.032 -11.894 1.00 41.34 N ATOM 1285 CA LYS A 477 -5.276 1.091 -12.238 1.00 65.03 C ATOM 1286 C LYS A 477 -5.304 2.199 -11.090 1.00 61.11 C ATOM 1287 O LYS A 477 -5.764 1.908 -9.994 1.00 45.20 O ATOM 1288 CB LYS A 477 -6.702 0.527 -12.613 1.00 4.12 C ATOM 1289 CG LYS A 477 -7.978 1.492 -12.612 1.00 61.00 C ATOM 1290 CD LYS A 477 -7.861 2.794 -13.465 1.00 40.52 C ATOM 1291 CE LYS A 477 -9.083 3.745 -13.266 1.00 75.14 C ATOM 1292 NZ LYS A 477 -9.113 4.352 -11.907 1.00 10.14 N ATOM 0 H LYS A 477 -4.477 -0.472 -10.989 1.00 41.34 H new ATOM 0 HA LYS A 477 -4.915 1.598 -13.133 1.00 65.03 H new ATOM 0 HB2 LYS A 477 -6.626 0.094 -13.610 1.00 4.12 H new ATOM 0 HB3 LYS A 477 -6.916 -0.292 -11.926 1.00 4.12 H new ATOM 0 HG2 LYS A 477 -8.837 0.924 -12.970 1.00 61.00 H new ATOM 0 HG3 LYS A 477 -8.191 1.776 -11.582 1.00 61.00 H new ATOM 0 HD2 LYS A 477 -6.946 3.321 -13.196 1.00 40.52 H new ATOM 0 HD3 LYS A 477 -7.778 2.529 -14.519 1.00 40.52 H new ATOM 0 HE2 LYS A 477 -9.050 4.537 -14.014 1.00 75.14 H new ATOM 0 HE3 LYS A 477 -10.005 3.188 -13.433 1.00 75.14 H new ATOM 0 HZ1 LYS A 477 -9.870 5.063 -11.861 1.00 10.14 H new ATOM 0 HZ2 LYS A 477 -9.291 3.611 -11.200 1.00 10.14 H new ATOM 0 HZ3 LYS A 477 -8.199 4.807 -11.710 1.00 10.14 H new ATOM 1306 N VAL A 478 -4.835 3.476 -11.345 1.00 54.42 N ATOM 1307 CA VAL A 478 -4.627 4.505 -10.290 1.00 43.31 C ATOM 1308 C VAL A 478 -5.900 5.420 -10.061 1.00 73.54 C ATOM 1309 O VAL A 478 -6.572 5.763 -11.040 1.00 1.42 O ATOM 1310 CB VAL A 478 -3.324 5.342 -10.710 1.00 62.30 C ATOM 1311 CG1 VAL A 478 -3.325 6.843 -10.417 1.00 53.11 C ATOM 1312 CG2 VAL A 478 -2.053 4.747 -10.113 1.00 33.21 C ATOM 0 H VAL A 478 -4.598 3.802 -12.282 1.00 54.42 H new ATOM 0 HA VAL A 478 -4.473 4.027 -9.322 1.00 43.31 H new ATOM 0 HB VAL A 478 -3.351 5.252 -11.796 1.00 62.30 H new ATOM 0 HG11 VAL A 478 -2.385 7.280 -10.753 1.00 53.11 H new ATOM 0 HG12 VAL A 478 -4.153 7.316 -10.944 1.00 53.11 H new ATOM 0 HG13 VAL A 478 -3.438 7.004 -9.345 1.00 53.11 H new ATOM 0 HG21 VAL A 478 -1.193 5.342 -10.421 1.00 33.21 H new ATOM 0 HG22 VAL A 478 -2.126 4.750 -9.025 1.00 33.21 H new ATOM 0 HG23 VAL A 478 -1.930 3.723 -10.466 1.00 33.21 H new ATOM 1322 N GLN A 479 -6.275 5.774 -8.765 1.00 13.14 N ATOM 1323 CA GLN A 479 -7.414 6.655 -8.482 1.00 11.34 C ATOM 1324 C GLN A 479 -6.985 7.800 -7.513 1.00 20.43 C ATOM 1325 O GLN A 479 -5.941 7.677 -6.880 1.00 4.30 O ATOM 1326 CB GLN A 479 -8.646 5.812 -7.930 1.00 33.42 C ATOM 1327 CG GLN A 479 -8.293 4.650 -6.920 1.00 11.41 C ATOM 1328 CD GLN A 479 -8.268 5.042 -5.427 1.00 73.42 C ATOM 1329 OE1 GLN A 479 -8.072 6.194 -5.061 1.00 20.24 O ATOM 1330 NE2 GLN A 479 -8.393 4.046 -4.544 1.00 31.23 N ATOM 0 H GLN A 479 -5.788 5.448 -7.931 1.00 13.14 H new ATOM 0 HA GLN A 479 -7.745 7.128 -9.407 1.00 11.34 H new ATOM 0 HB2 GLN A 479 -9.338 6.496 -7.438 1.00 33.42 H new ATOM 0 HB3 GLN A 479 -9.175 5.380 -8.780 1.00 33.42 H new ATOM 0 HG2 GLN A 479 -9.017 3.846 -7.053 1.00 11.41 H new ATOM 0 HG3 GLN A 479 -7.316 4.247 -7.187 1.00 11.41 H new ATOM 0 HE21 GLN A 479 -8.556 3.093 -4.870 1.00 31.23 H new ATOM 0 HE22 GLN A 479 -8.325 4.239 -3.545 1.00 31.23 H new