USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=9 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 175:sc= -0.436 USER MOD Set 1.2: A 452 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 398 GLN : amide:sc= 0.859 K(o=1.8,f=-4.5) USER MOD Set 2.2: A 435 LYS NZ :NH3+ -139:sc= 0.986 (180deg=-0.00481) USER MOD Single : A 399 LYS NZ :NH3+ -169:sc= -0.164 (180deg=-0.416) USER MOD Single : A 406 ASN : amide:sc= -0.0232 X(o=-0.023,f=-0.4) 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=-0.027) USER MOD Single : A 414 GLN : amide:sc= -0.903 K(o=-0.9,f=-1.4) USER MOD Single : A 419 GLN : amide:sc= -0.844 K(o=-0.84,f=-0.2) USER MOD Single : A 423 GLN : amide:sc= 0.386 X(o=0.39,f=0) USER MOD Single : A 424 MET CE :methyl -137:sc= 0 (180deg=-0.0364) USER MOD Single : A 426 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= 0.105 K(o=0.11,f=-3.1!) USER MOD Single : A 453 TYR OH : rot 27:sc= 0.0906 USER MOD Single : A 455 ASN : amide:sc= -0.716 K(o=-0.72,f=0) USER MOD Single : A 458 SER OG : rot 180:sc= 0.00217 USER MOD Single : A 460 GLN : amide:sc= -0.542 K(o=-0.54,f=-3.3!) USER MOD Single : A 464 GLN : amide:sc= -0.607 K(o=-0.61,f=-0.033) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= 0.715 K(o=0.72,f=-0.049) USER MOD Single : A 470 GLN : amide:sc= 0.687 K(o=0.69,f=-3.9!) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 139:sc= 0.0401 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 GLN : amide:sc= -0.708 K(o=-0.71,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 1.043 6.881 7.608 1.00 35.24 N ATOM 57 CA GLN A 398 0.105 7.557 6.632 1.00 12.40 C ATOM 58 C GLN A 398 -0.467 8.902 7.183 1.00 43.30 C ATOM 59 O GLN A 398 -1.522 8.943 7.819 1.00 50.01 O ATOM 60 CB GLN A 398 -1.018 6.542 6.133 1.00 23.13 C ATOM 61 CG GLN A 398 -2.411 7.035 5.516 1.00 32.11 C ATOM 62 CD GLN A 398 -3.316 5.853 5.224 1.00 12.13 C ATOM 63 OE1 GLN A 398 -2.829 4.767 4.953 1.00 4.03 O ATOM 64 NE2 GLN A 398 -4.629 6.047 5.250 1.00 20.32 N ATOM 0 HA GLN A 398 0.684 7.843 5.753 1.00 12.40 H new ATOM 0 HB2 GLN A 398 -0.551 5.906 5.381 1.00 23.13 H new ATOM 0 HB3 GLN A 398 -1.262 5.904 6.983 1.00 23.13 H new ATOM 0 HG2 GLN A 398 -2.904 7.713 6.213 1.00 32.11 H new ATOM 0 HG3 GLN A 398 -2.230 7.596 4.599 1.00 32.11 H new ATOM 0 HE21 GLN A 398 -5.004 6.967 5.480 1.00 20.32 H new ATOM 0 HE22 GLN A 398 -5.263 5.276 5.040 1.00 20.32 H new ATOM 73 N LYS A 399 0.320 9.987 7.029 1.00 52.30 N ATOM 74 CA LYS A 399 -0.200 11.366 7.149 1.00 61.23 C ATOM 75 C LYS A 399 0.188 12.226 5.891 1.00 1.14 C ATOM 76 O LYS A 399 1.370 12.367 5.548 1.00 5.44 O ATOM 77 CB LYS A 399 0.185 12.053 8.535 1.00 44.43 C ATOM 78 CG LYS A 399 1.624 12.583 8.763 1.00 20.43 C ATOM 79 CD LYS A 399 2.699 11.576 8.347 1.00 20.13 C ATOM 80 CE LYS A 399 4.143 12.133 8.374 1.00 2.23 C ATOM 81 NZ LYS A 399 4.240 13.476 7.724 1.00 64.12 N ATOM 0 H LYS A 399 1.317 9.935 6.821 1.00 52.30 H new ATOM 0 HA LYS A 399 -1.288 11.307 7.164 1.00 61.23 H new ATOM 0 HB2 LYS A 399 -0.496 12.891 8.682 1.00 44.43 H new ATOM 0 HB3 LYS A 399 -0.023 11.331 9.324 1.00 44.43 H new ATOM 0 HG2 LYS A 399 1.760 13.506 8.200 1.00 20.43 H new ATOM 0 HG3 LYS A 399 1.753 12.831 9.817 1.00 20.43 H new ATOM 0 HD2 LYS A 399 2.644 10.711 9.008 1.00 20.13 H new ATOM 0 HD3 LYS A 399 2.478 11.222 7.340 1.00 20.13 H new ATOM 0 HE2 LYS A 399 4.484 12.205 9.407 1.00 2.23 H new ATOM 0 HE3 LYS A 399 4.810 11.436 7.866 1.00 2.23 H new ATOM 0 HZ1 LYS A 399 5.241 13.728 7.596 1.00 64.12 H new ATOM 0 HZ2 LYS A 399 3.769 13.448 6.797 1.00 64.12 H new ATOM 0 HZ3 LYS A 399 3.778 14.187 8.326 1.00 64.12 H new ATOM 95 N GLU A 400 -0.832 12.704 5.152 1.00 35.21 N ATOM 96 CA GLU A 400 -0.651 13.648 3.996 1.00 2.25 C ATOM 97 C GLU A 400 -0.394 15.126 4.452 1.00 43.34 C ATOM 98 O GLU A 400 -0.525 15.429 5.639 1.00 45.12 O ATOM 99 CB GLU A 400 -1.789 13.553 2.908 1.00 64.14 C ATOM 100 CG GLU A 400 -3.208 13.869 3.375 1.00 34.31 C ATOM 101 CD GLU A 400 -3.571 15.350 3.332 1.00 21.32 C ATOM 102 OE1 GLU A 400 -3.852 15.846 2.222 1.00 3.15 O ATOM 103 OE2 GLU A 400 -3.575 16.009 4.394 1.00 23.42 O ATOM 0 H GLU A 400 -1.806 12.457 5.326 1.00 35.21 H new ATOM 0 HA GLU A 400 0.258 13.307 3.500 1.00 2.25 H new ATOM 0 HB2 GLU A 400 -1.539 14.232 2.093 1.00 64.14 H new ATOM 0 HB3 GLU A 400 -1.783 12.544 2.495 1.00 64.14 H new ATOM 0 HG2 GLU A 400 -3.913 13.317 2.754 1.00 34.31 H new ATOM 0 HG3 GLU A 400 -3.330 13.507 4.396 1.00 34.31 H new ATOM 110 N GLY A 401 0.028 16.026 3.513 1.00 63.45 N ATOM 111 CA GLY A 401 0.522 17.361 3.885 1.00 52.32 C ATOM 112 C GLY A 401 -0.405 18.491 3.411 1.00 54.22 C ATOM 113 O GLY A 401 -1.280 18.875 4.190 1.00 64.10 O ATOM 0 H GLY A 401 0.031 15.841 2.510 1.00 63.45 H new ATOM 0 HA2 GLY A 401 0.629 17.415 4.968 1.00 52.32 H new ATOM 0 HA3 GLY A 401 1.514 17.508 3.459 1.00 52.32 H new ATOM 117 N PRO A 402 -0.280 19.092 2.168 1.00 50.52 N ATOM 118 CA PRO A 402 -1.232 20.121 1.738 1.00 44.04 C ATOM 119 C PRO A 402 -2.397 19.569 0.889 1.00 1.25 C ATOM 120 O PRO A 402 -2.345 18.427 0.407 1.00 73.04 O ATOM 121 CB PRO A 402 -0.312 21.040 0.931 1.00 14.34 C ATOM 122 CG PRO A 402 0.554 20.101 0.188 1.00 70.24 C ATOM 123 CD PRO A 402 0.776 18.913 1.111 1.00 31.24 C ATOM 0 HA PRO A 402 -1.754 20.604 2.564 1.00 44.04 H new ATOM 0 HB2 PRO A 402 -0.878 21.682 0.256 1.00 14.34 H new ATOM 0 HB3 PRO A 402 0.270 21.694 1.580 1.00 14.34 H new ATOM 0 HG2 PRO A 402 0.081 19.788 -0.743 1.00 70.24 H new ATOM 0 HG3 PRO A 402 1.501 20.571 -0.077 1.00 70.24 H new ATOM 0 HD2 PRO A 402 0.660 17.967 0.583 1.00 31.24 H new ATOM 0 HD3 PRO A 402 1.778 18.918 1.539 1.00 31.24 H new ATOM 131 N GLU A 403 -3.467 20.377 0.772 1.00 44.42 N ATOM 132 CA GLU A 403 -4.538 20.150 -0.181 1.00 55.34 C ATOM 133 C GLU A 403 -3.922 20.054 -1.612 1.00 71.44 C ATOM 134 O GLU A 403 -3.235 20.980 -2.082 1.00 32.32 O ATOM 135 CB GLU A 403 -5.588 21.303 -0.011 1.00 25.53 C ATOM 136 CG GLU A 403 -5.451 22.595 -0.872 1.00 55.32 C ATOM 137 CD GLU A 403 -6.324 22.608 -2.129 1.00 12.43 C ATOM 138 OE1 GLU A 403 -7.553 22.769 -1.991 1.00 42.05 O ATOM 139 OE2 GLU A 403 -5.781 22.491 -3.253 1.00 63.32 O ATOM 0 H GLU A 403 -3.602 21.209 1.347 1.00 44.42 H new ATOM 0 HA GLU A 403 -5.063 19.210 -0.009 1.00 55.34 H new ATOM 0 HB2 GLU A 403 -6.573 20.880 -0.209 1.00 25.53 H new ATOM 0 HB3 GLU A 403 -5.576 21.605 1.036 1.00 25.53 H new ATOM 0 HG2 GLU A 403 -5.708 23.457 -0.256 1.00 55.32 H new ATOM 0 HG3 GLU A 403 -4.408 22.713 -1.167 1.00 55.32 H new ATOM 146 N GLY A 404 -4.014 18.876 -2.232 1.00 4.43 N ATOM 147 CA GLY A 404 -3.682 18.776 -3.630 1.00 22.33 C ATOM 148 C GLY A 404 -2.963 17.482 -4.052 1.00 62.11 C ATOM 149 O GLY A 404 -3.053 17.089 -5.218 1.00 34.43 O ATOM 0 H GLY A 404 -4.309 18.005 -1.791 1.00 4.43 H new ATOM 0 HA2 GLY A 404 -4.600 18.866 -4.210 1.00 22.33 H new ATOM 0 HA3 GLY A 404 -3.052 19.624 -3.897 1.00 22.33 H new ATOM 153 N ALA A 405 -2.241 16.829 -3.129 1.00 42.03 N ATOM 154 CA ALA A 405 -1.555 15.567 -3.437 1.00 21.33 C ATOM 155 C ALA A 405 -2.184 14.394 -2.597 1.00 50.34 C ATOM 156 O ALA A 405 -1.987 14.339 -1.379 1.00 11.41 O ATOM 157 CB ALA A 405 -0.091 15.784 -3.024 1.00 41.12 C ATOM 0 H ALA A 405 -2.118 17.152 -2.169 1.00 42.03 H new ATOM 0 HA ALA A 405 -1.645 15.302 -4.490 1.00 21.33 H new ATOM 0 HB1 ALA A 405 0.482 14.879 -3.226 1.00 41.12 H new ATOM 0 HB2 ALA A 405 0.328 16.614 -3.593 1.00 41.12 H new ATOM 0 HB3 ALA A 405 -0.043 16.013 -1.959 1.00 41.12 H new ATOM 163 N ASN A 406 -2.931 13.464 -3.260 1.00 74.23 N ATOM 164 CA ASN A 406 -3.322 12.087 -2.712 1.00 23.13 C ATOM 165 C ASN A 406 -3.670 11.084 -3.870 1.00 74.45 C ATOM 166 O ASN A 406 -4.680 11.256 -4.556 1.00 0.43 O ATOM 167 CB ASN A 406 -4.504 12.243 -1.642 1.00 10.14 C ATOM 168 CG ASN A 406 -5.425 13.455 -1.824 1.00 42.42 C ATOM 169 OD1 ASN A 406 -5.744 13.858 -2.933 1.00 41.34 O ATOM 170 ND2 ASN A 406 -5.877 14.045 -0.720 1.00 51.04 N ATOM 0 H ASN A 406 -3.292 13.630 -4.199 1.00 74.23 H new ATOM 0 HA ASN A 406 -2.467 11.653 -2.194 1.00 23.13 H new ATOM 0 HB2 ASN A 406 -5.115 11.341 -1.672 1.00 10.14 H new ATOM 0 HB3 ASN A 406 -4.061 12.295 -0.647 1.00 10.14 H new ATOM 0 HD21 ASN A 406 -6.501 14.849 -0.790 1.00 51.04 H new ATOM 0 HD22 ASN A 406 -5.599 13.694 0.196 1.00 51.04 H new ATOM 177 N LEU A 407 -2.828 10.013 -4.085 1.00 75.54 N ATOM 178 CA LEU A 407 -3.073 8.960 -5.110 1.00 14.50 C ATOM 179 C LEU A 407 -3.378 7.566 -4.458 1.00 34.11 C ATOM 180 O LEU A 407 -2.509 7.098 -3.712 1.00 51.24 O ATOM 181 CB LEU A 407 -1.745 8.781 -5.896 1.00 23.11 C ATOM 182 CG LEU A 407 -1.197 9.936 -6.719 1.00 23.30 C ATOM 183 CD1 LEU A 407 -2.305 10.686 -7.454 1.00 23.42 C ATOM 184 CD2 LEU A 407 -0.317 10.849 -5.881 1.00 42.50 C ATOM 0 H LEU A 407 -1.971 9.867 -3.551 1.00 75.54 H new ATOM 0 HA LEU A 407 -3.920 9.265 -5.724 1.00 14.50 H new ATOM 0 HB2 LEU A 407 -0.976 8.500 -5.177 1.00 23.11 H new ATOM 0 HB3 LEU A 407 -1.877 7.934 -6.570 1.00 23.11 H new ATOM 0 HG LEU A 407 -0.555 9.515 -7.493 1.00 23.30 H new ATOM 0 HD11 LEU A 407 -1.871 11.503 -8.030 1.00 23.42 H new ATOM 0 HD12 LEU A 407 -2.822 10.002 -8.127 1.00 23.42 H new ATOM 0 HD13 LEU A 407 -3.014 11.089 -6.730 1.00 23.42 H new ATOM 0 HD21 LEU A 407 0.057 11.663 -6.501 1.00 42.50 H new ATOM 0 HD22 LEU A 407 -0.900 11.259 -5.056 1.00 42.50 H new ATOM 0 HD23 LEU A 407 0.523 10.280 -5.484 1.00 42.50 H new ATOM 196 N PHE A 408 -4.549 6.863 -4.706 1.00 63.32 N ATOM 197 CA PHE A 408 -4.664 5.436 -4.205 1.00 41.52 C ATOM 198 C PHE A 408 -4.761 4.408 -5.381 1.00 4.23 C ATOM 199 O PHE A 408 -5.159 4.768 -6.492 1.00 50.41 O ATOM 200 CB PHE A 408 -5.759 5.188 -3.098 1.00 0.24 C ATOM 201 CG PHE A 408 -5.676 6.142 -1.902 1.00 15.02 C ATOM 202 CD1 PHE A 408 -4.448 6.480 -1.344 1.00 42.44 C ATOM 203 CD2 PHE A 408 -6.813 6.704 -1.354 1.00 34.30 C ATOM 204 CE1 PHE A 408 -4.342 7.360 -0.281 1.00 55.32 C ATOM 205 CE2 PHE A 408 -6.724 7.584 -0.283 1.00 65.22 C ATOM 206 CZ PHE A 408 -5.489 7.921 0.249 1.00 12.10 C ATOM 0 H PHE A 408 -5.361 7.224 -5.206 1.00 63.32 H new ATOM 0 HA PHE A 408 -3.724 5.261 -3.681 1.00 41.52 H new ATOM 0 HB2 PHE A 408 -6.745 5.280 -3.553 1.00 0.24 H new ATOM 0 HB3 PHE A 408 -5.668 4.163 -2.737 1.00 0.24 H new ATOM 0 HD1 PHE A 408 -3.549 6.042 -1.753 1.00 42.44 H new ATOM 0 HD2 PHE A 408 -7.781 6.456 -1.763 1.00 34.30 H new ATOM 0 HE1 PHE A 408 -3.374 7.606 0.130 1.00 55.32 H new ATOM 0 HE2 PHE A 408 -7.623 8.009 0.138 1.00 65.22 H new ATOM 0 HZ PHE A 408 -5.423 8.617 1.072 1.00 12.10 H new ATOM 216 N ILE A 409 -4.400 3.118 -5.102 1.00 73.13 N ATOM 217 CA ILE A 409 -4.085 2.078 -6.189 1.00 24.22 C ATOM 218 C ILE A 409 -5.186 0.910 -6.157 1.00 61.43 C ATOM 219 O ILE A 409 -5.306 0.273 -5.131 1.00 32.24 O ATOM 220 CB ILE A 409 -2.567 1.456 -6.108 1.00 74.34 C ATOM 221 CG1 ILE A 409 -1.378 2.440 -6.514 1.00 52.41 C ATOM 222 CG2 ILE A 409 -2.374 0.228 -7.042 1.00 34.31 C ATOM 223 CD1 ILE A 409 -1.218 3.867 -5.951 1.00 14.34 C ATOM 0 H ILE A 409 -4.315 2.756 -4.152 1.00 73.13 H new ATOM 0 HA ILE A 409 -4.126 2.605 -7.142 1.00 24.22 H new ATOM 0 HB ILE A 409 -2.502 1.215 -5.047 1.00 74.34 H new ATOM 0 HG12 ILE A 409 -0.452 1.914 -6.281 1.00 52.41 H new ATOM 0 HG13 ILE A 409 -1.422 2.542 -7.598 1.00 52.41 H new ATOM 0 HG21 ILE A 409 -1.353 -0.143 -6.949 1.00 34.31 H new ATOM 0 HG22 ILE A 409 -3.073 -0.558 -6.758 1.00 34.31 H new ATOM 0 HG23 ILE A 409 -2.560 0.523 -8.075 1.00 34.31 H new ATOM 0 HD11 ILE A 409 -0.331 4.331 -6.383 1.00 14.34 H new ATOM 0 HD12 ILE A 409 -2.097 4.459 -6.205 1.00 14.34 H new ATOM 0 HD13 ILE A 409 -1.112 3.821 -4.867 1.00 14.34 H new ATOM 235 N TYR A 410 -6.035 0.665 -7.228 1.00 54.03 N ATOM 236 CA TYR A 410 -6.905 -0.568 -7.322 1.00 14.14 C ATOM 237 C TYR A 410 -6.213 -1.610 -8.254 1.00 54.31 C ATOM 238 O TYR A 410 -5.616 -1.184 -9.242 1.00 12.03 O ATOM 239 CB TYR A 410 -8.330 -0.181 -7.901 1.00 22.20 C ATOM 240 CG TYR A 410 -9.466 0.278 -6.963 1.00 45.35 C ATOM 241 CD1 TYR A 410 -9.300 0.931 -5.728 1.00 50.54 C ATOM 242 CD2 TYR A 410 -10.773 0.057 -7.390 1.00 73.31 C ATOM 243 CE1 TYR A 410 -10.401 1.313 -4.976 1.00 74.42 C ATOM 244 CE2 TYR A 410 -11.859 0.443 -6.651 1.00 63.55 C ATOM 245 CZ TYR A 410 -11.679 1.068 -5.443 1.00 63.10 C ATOM 246 OH TYR A 410 -12.770 1.458 -4.697 1.00 74.34 O ATOM 0 H TYR A 410 -6.130 1.297 -8.023 1.00 54.03 H new ATOM 0 HA TYR A 410 -7.038 -0.999 -6.330 1.00 14.14 H new ATOM 0 HB2 TYR A 410 -8.174 0.615 -8.629 1.00 22.20 H new ATOM 0 HB3 TYR A 410 -8.699 -1.047 -8.450 1.00 22.20 H new ATOM 0 HD1 TYR A 410 -8.305 1.137 -5.362 1.00 50.54 H new ATOM 0 HD2 TYR A 410 -10.936 -0.436 -8.337 1.00 73.31 H new ATOM 0 HE1 TYR A 410 -10.260 1.803 -4.024 1.00 74.42 H new ATOM 0 HE2 TYR A 410 -12.857 0.256 -7.019 1.00 63.55 H new ATOM 0 HH TYR A 410 -13.593 1.212 -5.168 1.00 74.34 H new ATOM 256 N HIS A 411 -6.261 -2.977 -7.894 1.00 4.42 N ATOM 257 CA HIS A 411 -5.683 -4.112 -8.717 1.00 4.23 C ATOM 258 C HIS A 411 -4.158 -4.242 -8.568 1.00 42.24 C ATOM 259 O HIS A 411 -3.413 -3.838 -9.458 1.00 41.43 O ATOM 260 CB HIS A 411 -6.030 -4.063 -10.204 1.00 74.43 C ATOM 261 CG HIS A 411 -7.468 -4.197 -10.576 1.00 12.13 C ATOM 262 ND1 HIS A 411 -8.482 -4.535 -9.708 1.00 53.31 N ATOM 263 CD2 HIS A 411 -8.045 -3.994 -11.765 1.00 55.11 C ATOM 264 CE1 HIS A 411 -9.623 -4.543 -10.365 1.00 14.21 C ATOM 265 NE2 HIS A 411 -9.386 -4.215 -11.618 1.00 21.45 N ATOM 0 H HIS A 411 -6.701 -3.298 -7.031 1.00 4.42 H new ATOM 0 HA HIS A 411 -6.168 -4.992 -8.295 1.00 4.23 H new ATOM 0 HB2 HIS A 411 -5.665 -3.117 -10.605 1.00 74.43 H new ATOM 0 HB3 HIS A 411 -5.476 -4.857 -10.706 1.00 74.43 H new ATOM 0 HD2 HIS A 411 -7.542 -3.707 -12.677 1.00 55.11 H new ATOM 0 HE1 HIS A 411 -10.590 -4.779 -9.947 1.00 14.21 H new ATOM 0 HE2 HIS A 411 -10.086 -4.139 -12.356 1.00 21.45 H new ATOM 274 N LEU A 412 -3.680 -4.727 -7.423 1.00 41.14 N ATOM 275 CA LEU A 412 -2.242 -4.680 -7.126 1.00 41.32 C ATOM 276 C LEU A 412 -1.563 -5.958 -7.691 1.00 64.44 C ATOM 277 O LEU A 412 -1.985 -7.059 -7.324 1.00 13.44 O ATOM 278 CB LEU A 412 -1.967 -4.458 -5.578 1.00 52.35 C ATOM 279 CG LEU A 412 -0.598 -4.917 -5.012 1.00 62.21 C ATOM 280 CD1 LEU A 412 -0.006 -3.844 -4.101 1.00 54.35 C ATOM 281 CD2 LEU A 412 -0.713 -6.242 -4.218 1.00 60.24 C ATOM 0 H LEU A 412 -4.253 -5.151 -6.694 1.00 41.14 H new ATOM 0 HA LEU A 412 -1.797 -3.816 -7.620 1.00 41.32 H new ATOM 0 HB2 LEU A 412 -2.076 -3.394 -5.368 1.00 52.35 H new ATOM 0 HB3 LEU A 412 -2.749 -4.975 -5.022 1.00 52.35 H new ATOM 0 HG LEU A 412 0.057 -5.082 -5.868 1.00 62.21 H new ATOM 0 HD11 LEU A 412 0.954 -4.185 -3.714 1.00 54.35 H new ATOM 0 HD12 LEU A 412 0.137 -2.924 -4.668 1.00 54.35 H new ATOM 0 HD13 LEU A 412 -0.686 -3.656 -3.270 1.00 54.35 H new ATOM 0 HD21 LEU A 412 0.269 -6.526 -3.840 1.00 60.24 H new ATOM 0 HD22 LEU A 412 -1.399 -6.107 -3.382 1.00 60.24 H new ATOM 0 HD23 LEU A 412 -1.091 -7.027 -4.873 1.00 60.24 H new ATOM 293 N PRO A 413 -0.563 -5.858 -8.653 1.00 2.14 N ATOM 294 CA PRO A 413 0.160 -7.042 -9.168 1.00 61.01 C ATOM 295 C PRO A 413 1.114 -7.783 -8.168 1.00 61.42 C ATOM 296 O PRO A 413 1.236 -7.411 -7.002 1.00 51.42 O ATOM 297 CB PRO A 413 0.820 -6.576 -10.443 1.00 0.33 C ATOM 298 CG PRO A 413 1.013 -5.131 -10.299 1.00 51.24 C ATOM 299 CD PRO A 413 -0.085 -4.618 -9.398 1.00 0.15 C ATOM 0 HA PRO A 413 -0.548 -7.851 -9.347 1.00 61.01 H new ATOM 0 HB2 PRO A 413 1.773 -7.083 -10.596 1.00 0.33 H new ATOM 0 HB3 PRO A 413 0.197 -6.801 -11.309 1.00 0.33 H new ATOM 0 HG2 PRO A 413 1.992 -4.915 -9.872 1.00 51.24 H new ATOM 0 HG3 PRO A 413 0.973 -4.639 -11.271 1.00 51.24 H new ATOM 0 HD2 PRO A 413 0.286 -3.858 -8.710 1.00 0.15 H new ATOM 0 HD3 PRO A 413 -0.892 -4.162 -9.972 1.00 0.15 H new ATOM 307 N GLN A 414 1.807 -8.819 -8.711 1.00 34.03 N ATOM 308 CA GLN A 414 2.185 -10.126 -8.121 1.00 15.32 C ATOM 309 C GLN A 414 2.421 -10.316 -6.571 1.00 33.33 C ATOM 310 O GLN A 414 1.594 -11.008 -5.975 1.00 12.22 O ATOM 311 CB GLN A 414 3.543 -10.419 -8.855 1.00 24.33 C ATOM 312 CG GLN A 414 4.419 -9.168 -9.235 1.00 3.25 C ATOM 313 CD GLN A 414 5.638 -8.944 -8.339 1.00 10.10 C ATOM 314 OE1 GLN A 414 6.239 -9.891 -7.854 1.00 24.35 O ATOM 315 NE2 GLN A 414 5.994 -7.670 -8.130 1.00 55.12 N ATOM 0 H GLN A 414 2.148 -8.750 -9.670 1.00 34.03 H new ATOM 0 HA GLN A 414 1.322 -10.779 -8.253 1.00 15.32 H new ATOM 0 HB2 GLN A 414 4.140 -11.073 -8.220 1.00 24.33 H new ATOM 0 HB3 GLN A 414 3.325 -10.973 -9.768 1.00 24.33 H new ATOM 0 HG2 GLN A 414 4.758 -9.278 -10.265 1.00 3.25 H new ATOM 0 HG3 GLN A 414 3.791 -8.278 -9.200 1.00 3.25 H new ATOM 0 HE21 GLN A 414 5.459 -6.914 -8.558 1.00 55.12 H new ATOM 0 HE22 GLN A 414 6.800 -7.455 -7.543 1.00 55.12 H new ATOM 324 N GLU A 415 3.442 -9.771 -5.886 1.00 52.20 N ATOM 325 CA GLU A 415 3.394 -9.728 -4.397 1.00 12.21 C ATOM 326 C GLU A 415 3.433 -8.286 -3.830 1.00 72.23 C ATOM 327 O GLU A 415 3.515 -8.149 -2.608 1.00 71.55 O ATOM 328 CB GLU A 415 4.419 -10.730 -3.711 1.00 44.22 C ATOM 329 CG GLU A 415 5.704 -10.146 -3.112 1.00 52.24 C ATOM 330 CD GLU A 415 6.935 -10.318 -3.946 1.00 3.55 C ATOM 331 OE1 GLU A 415 6.935 -9.929 -5.115 1.00 22.11 O ATOM 332 OE2 GLU A 415 7.932 -10.849 -3.405 1.00 44.20 O ATOM 0 H GLU A 415 4.279 -9.368 -6.307 1.00 52.20 H new ATOM 0 HA GLU A 415 2.412 -10.107 -4.115 1.00 12.21 H new ATOM 0 HB2 GLU A 415 3.890 -11.257 -2.917 1.00 44.22 H new ATOM 0 HB3 GLU A 415 4.705 -11.475 -4.453 1.00 44.22 H new ATOM 0 HG2 GLU A 415 5.551 -9.081 -2.935 1.00 52.24 H new ATOM 0 HG3 GLU A 415 5.876 -10.610 -2.141 1.00 52.24 H new ATOM 339 N PHE A 416 3.122 -7.241 -4.665 1.00 55.12 N ATOM 340 CA PHE A 416 3.844 -5.903 -4.590 1.00 32.44 C ATOM 341 C PHE A 416 3.796 -5.323 -3.118 1.00 1.41 C ATOM 342 O PHE A 416 2.749 -4.836 -2.679 1.00 21.52 O ATOM 343 CB PHE A 416 3.202 -4.813 -5.543 1.00 71.43 C ATOM 344 CG PHE A 416 3.933 -4.208 -6.713 1.00 73.51 C ATOM 345 CD1 PHE A 416 4.991 -4.786 -7.410 1.00 71.31 C ATOM 346 CD2 PHE A 416 3.475 -2.961 -7.123 1.00 64.54 C ATOM 347 CE1 PHE A 416 5.562 -4.130 -8.480 1.00 21.23 C ATOM 348 CE2 PHE A 416 4.035 -2.304 -8.198 1.00 72.21 C ATOM 349 CZ PHE A 416 5.084 -2.890 -8.885 1.00 15.33 C ATOM 0 H PHE A 416 2.398 -7.286 -5.382 1.00 55.12 H new ATOM 0 HA PHE A 416 4.869 -6.101 -4.904 1.00 32.44 H new ATOM 0 HB2 PHE A 416 2.289 -5.253 -5.944 1.00 71.43 H new ATOM 0 HB3 PHE A 416 2.902 -3.983 -4.904 1.00 71.43 H new ATOM 0 HD1 PHE A 416 5.366 -5.753 -7.111 1.00 71.31 H new ATOM 0 HD2 PHE A 416 2.661 -2.496 -6.587 1.00 64.54 H new ATOM 0 HE1 PHE A 416 6.388 -4.584 -9.008 1.00 21.23 H new ATOM 0 HE2 PHE A 416 3.658 -1.339 -8.502 1.00 72.21 H new ATOM 0 HZ PHE A 416 5.528 -2.386 -9.731 1.00 15.33 H new ATOM 359 N GLY A 417 4.919 -5.404 -2.347 1.00 4.43 N ATOM 360 CA GLY A 417 4.892 -5.095 -0.915 1.00 42.42 C ATOM 361 C GLY A 417 5.601 -3.755 -0.568 1.00 12.33 C ATOM 362 O GLY A 417 5.927 -3.004 -1.491 1.00 31.31 O ATOM 0 H GLY A 417 5.835 -5.678 -2.702 1.00 4.43 H new ATOM 0 HA2 GLY A 417 3.856 -5.049 -0.578 1.00 42.42 H new ATOM 0 HA3 GLY A 417 5.370 -5.906 -0.365 1.00 42.42 H new ATOM 366 N ASP A 418 5.828 -3.459 0.764 1.00 52.22 N ATOM 367 CA ASP A 418 6.431 -2.154 1.263 1.00 54.24 C ATOM 368 C ASP A 418 7.729 -1.731 0.525 1.00 53.34 C ATOM 369 O ASP A 418 7.805 -0.609 0.023 1.00 31.30 O ATOM 370 CB ASP A 418 6.706 -2.169 2.811 1.00 53.31 C ATOM 371 CG ASP A 418 7.138 -0.822 3.346 1.00 55.12 C ATOM 372 OD1 ASP A 418 6.334 0.124 3.289 1.00 34.33 O ATOM 373 OD2 ASP A 418 8.283 -0.726 3.842 1.00 50.21 O ATOM 0 H ASP A 418 5.602 -4.109 1.517 1.00 52.22 H new ATOM 0 HA ASP A 418 5.664 -1.413 1.037 1.00 54.24 H new ATOM 0 HB2 ASP A 418 5.803 -2.489 3.332 1.00 53.31 H new ATOM 0 HB3 ASP A 418 7.479 -2.906 3.030 1.00 53.31 H new ATOM 378 N GLN A 419 8.739 -2.626 0.478 1.00 64.53 N ATOM 379 CA GLN A 419 10.020 -2.381 -0.205 1.00 24.14 C ATOM 380 C GLN A 419 9.894 -2.066 -1.698 1.00 43.22 C ATOM 381 O GLN A 419 10.643 -1.207 -2.173 1.00 74.11 O ATOM 382 CB GLN A 419 11.059 -3.509 0.001 1.00 4.34 C ATOM 383 CG GLN A 419 10.716 -4.898 -0.586 1.00 24.01 C ATOM 384 CD GLN A 419 9.791 -5.732 0.305 1.00 25.24 C ATOM 385 OE1 GLN A 419 10.253 -6.466 1.172 1.00 73.21 O ATOM 386 NE2 GLN A 419 8.486 -5.644 0.094 1.00 73.22 N ATOM 0 H GLN A 419 8.684 -3.545 0.917 1.00 64.53 H new ATOM 0 HA GLN A 419 10.387 -1.481 0.288 1.00 24.14 H new ATOM 0 HB2 GLN A 419 12.004 -3.182 -0.433 1.00 4.34 H new ATOM 0 HB3 GLN A 419 11.224 -3.626 1.072 1.00 4.34 H new ATOM 0 HG2 GLN A 419 10.245 -4.765 -1.560 1.00 24.01 H new ATOM 0 HG3 GLN A 419 11.641 -5.451 -0.752 1.00 24.01 H new ATOM 0 HE21 GLN A 419 8.128 -5.026 -0.634 1.00 73.22 H new ATOM 0 HE22 GLN A 419 7.840 -6.195 0.659 1.00 73.22 H new ATOM 395 N ASP A 420 8.984 -2.755 -2.428 1.00 54.12 N ATOM 396 CA ASP A 420 8.732 -2.430 -3.847 1.00 73.13 C ATOM 397 C ASP A 420 8.268 -0.974 -4.018 1.00 25.01 C ATOM 398 O ASP A 420 8.851 -0.243 -4.827 1.00 4.23 O ATOM 399 CB ASP A 420 7.737 -3.381 -4.539 1.00 34.30 C ATOM 400 CG ASP A 420 6.778 -2.666 -5.449 1.00 60.03 C ATOM 401 OD1 ASP A 420 7.187 -2.316 -6.577 1.00 62.23 O ATOM 402 OD2 ASP A 420 5.649 -2.389 -4.998 1.00 15.25 O ATOM 0 H ASP A 420 8.423 -3.525 -2.063 1.00 54.12 H new ATOM 0 HA ASP A 420 9.694 -2.566 -4.342 1.00 73.13 H new ATOM 0 HB2 ASP A 420 8.292 -4.122 -5.115 1.00 34.30 H new ATOM 0 HB3 ASP A 420 7.173 -3.923 -3.780 1.00 34.30 H new ATOM 407 N ILE A 421 7.201 -0.570 -3.267 1.00 20.21 N ATOM 408 CA ILE A 421 6.479 0.680 -3.530 1.00 24.31 C ATOM 409 C ILE A 421 7.378 1.911 -3.233 1.00 34.02 C ATOM 410 O ILE A 421 7.128 3.017 -3.738 1.00 25.52 O ATOM 411 CB ILE A 421 5.068 0.756 -2.721 1.00 73.32 C ATOM 412 CG1 ILE A 421 3.810 0.893 -3.665 1.00 53.30 C ATOM 413 CG2 ILE A 421 5.024 1.830 -1.625 1.00 43.52 C ATOM 414 CD1 ILE A 421 2.562 1.596 -3.113 1.00 63.33 C ATOM 0 H ILE A 421 6.834 -1.103 -2.478 1.00 20.21 H new ATOM 0 HA ILE A 421 6.229 0.695 -4.591 1.00 24.31 H new ATOM 0 HB ILE A 421 5.014 -0.212 -2.223 1.00 73.32 H new ATOM 0 HG12 ILE A 421 4.123 1.427 -4.562 1.00 53.30 H new ATOM 0 HG13 ILE A 421 3.517 -0.110 -3.977 1.00 53.30 H new ATOM 0 HG21 ILE A 421 4.050 1.812 -1.137 1.00 43.52 H new ATOM 0 HG22 ILE A 421 5.803 1.631 -0.889 1.00 43.52 H new ATOM 0 HG23 ILE A 421 5.189 2.811 -2.070 1.00 43.52 H new ATOM 0 HD11 ILE A 421 1.785 1.612 -3.877 1.00 63.33 H new ATOM 0 HD12 ILE A 421 2.199 1.058 -2.237 1.00 63.33 H new ATOM 0 HD13 ILE A 421 2.815 2.618 -2.832 1.00 63.33 H new ATOM 426 N LEU A 422 8.469 1.692 -2.466 1.00 53.40 N ATOM 427 CA LEU A 422 9.315 2.757 -2.050 1.00 0.44 C ATOM 428 C LEU A 422 10.369 3.007 -3.173 1.00 12.34 C ATOM 429 O LEU A 422 10.851 4.128 -3.357 1.00 10.15 O ATOM 430 CB LEU A 422 9.986 2.487 -0.624 1.00 41.52 C ATOM 431 CG LEU A 422 11.036 3.549 -0.131 1.00 2.05 C ATOM 432 CD1 LEU A 422 10.447 4.959 0.056 1.00 72.23 C ATOM 433 CD2 LEU A 422 11.713 3.193 1.199 1.00 64.12 C ATOM 0 H LEU A 422 8.759 0.771 -2.137 1.00 53.40 H new ATOM 0 HA LEU A 422 8.719 3.659 -1.907 1.00 0.44 H new ATOM 0 HB2 LEU A 422 9.192 2.421 0.120 1.00 41.52 H new ATOM 0 HB3 LEU A 422 10.475 1.513 -0.656 1.00 41.52 H new ATOM 0 HG LEU A 422 11.766 3.539 -0.940 1.00 2.05 H new ATOM 0 HD11 LEU A 422 11.229 5.638 0.397 1.00 72.23 H new ATOM 0 HD12 LEU A 422 10.046 5.315 -0.893 1.00 72.23 H new ATOM 0 HD13 LEU A 422 9.648 4.924 0.797 1.00 72.23 H new ATOM 0 HD21 LEU A 422 12.422 3.976 1.467 1.00 64.12 H new ATOM 0 HD22 LEU A 422 10.957 3.104 1.980 1.00 64.12 H new ATOM 0 HD23 LEU A 422 12.241 2.245 1.096 1.00 64.12 H new ATOM 445 N GLN A 423 10.692 1.932 -3.920 1.00 65.03 N ATOM 446 CA GLN A 423 11.647 2.004 -5.082 1.00 52.32 C ATOM 447 C GLN A 423 10.983 2.385 -6.429 1.00 12.54 C ATOM 448 O GLN A 423 11.388 3.378 -7.034 1.00 50.33 O ATOM 449 CB GLN A 423 12.431 0.673 -5.347 1.00 54.03 C ATOM 450 CG GLN A 423 13.507 0.225 -4.326 1.00 35.04 C ATOM 451 CD GLN A 423 13.817 -1.265 -4.460 1.00 33.55 C ATOM 452 OE1 GLN A 423 14.688 -1.651 -5.234 1.00 42.53 O ATOM 453 NE2 GLN A 423 13.139 -2.109 -3.686 1.00 2.10 N ATOM 0 H GLN A 423 10.315 0.999 -3.753 1.00 65.03 H new ATOM 0 HA GLN A 423 12.328 2.792 -4.759 1.00 52.32 H new ATOM 0 HB2 GLN A 423 11.699 -0.130 -5.429 1.00 54.03 H new ATOM 0 HB3 GLN A 423 12.916 0.763 -6.319 1.00 54.03 H new ATOM 0 HG2 GLN A 423 14.418 0.803 -4.479 1.00 35.04 H new ATOM 0 HG3 GLN A 423 13.161 0.437 -3.314 1.00 35.04 H new ATOM 0 HE21 GLN A 423 12.421 -1.756 -3.053 1.00 2.10 H new ATOM 0 HE22 GLN A 423 13.337 -3.109 -3.726 1.00 2.10 H new ATOM 462 N MET A 424 10.000 1.579 -6.907 1.00 3.02 N ATOM 463 CA MET A 424 9.390 1.770 -8.290 1.00 21.24 C ATOM 464 C MET A 424 8.664 3.150 -8.437 1.00 13.35 C ATOM 465 O MET A 424 8.518 3.648 -9.557 1.00 52.10 O ATOM 466 CB MET A 424 8.439 0.556 -8.755 1.00 71.25 C ATOM 467 CG MET A 424 7.867 0.576 -10.247 1.00 20.45 C ATOM 468 SD MET A 424 9.137 0.255 -11.477 1.00 64.23 S ATOM 469 CE MET A 424 9.184 -1.523 -11.351 1.00 1.41 C ATOM 0 H MET A 424 9.605 0.799 -6.382 1.00 3.02 H new ATOM 0 HA MET A 424 10.240 1.767 -8.973 1.00 21.24 H new ATOM 0 HB2 MET A 424 8.995 -0.372 -8.624 1.00 71.25 H new ATOM 0 HB3 MET A 424 7.590 0.518 -8.073 1.00 71.25 H new ATOM 0 HG2 MET A 424 7.079 -0.171 -10.340 1.00 20.45 H new ATOM 0 HG3 MET A 424 7.412 1.546 -10.445 1.00 20.45 H new ATOM 0 HE1 MET A 424 10.220 -1.861 -11.357 1.00 1.41 H new ATOM 0 HE2 MET A 424 8.706 -1.835 -10.422 1.00 1.41 H new ATOM 0 HE3 MET A 424 8.654 -1.962 -12.196 1.00 1.41 H new ATOM 479 N PHE A 425 8.253 3.798 -7.315 1.00 14.53 N ATOM 480 CA PHE A 425 7.456 5.027 -7.362 1.00 52.00 C ATOM 481 C PHE A 425 8.346 6.264 -6.994 1.00 42.53 C ATOM 482 O PHE A 425 7.864 7.391 -6.928 1.00 14.00 O ATOM 483 CB PHE A 425 6.204 4.774 -6.498 1.00 53.13 C ATOM 484 CG PHE A 425 4.870 4.797 -7.241 1.00 15.12 C ATOM 485 CD1 PHE A 425 4.095 5.970 -7.445 1.00 75.14 C ATOM 486 CD2 PHE A 425 4.368 3.604 -7.742 1.00 65.31 C ATOM 487 CE1 PHE A 425 2.905 5.899 -8.120 1.00 40.10 C ATOM 488 CE2 PHE A 425 3.167 3.559 -8.407 1.00 52.04 C ATOM 489 CZ PHE A 425 2.441 4.706 -8.596 1.00 64.43 C ATOM 0 H PHE A 425 8.467 3.479 -6.370 1.00 14.53 H new ATOM 0 HA PHE A 425 7.095 5.284 -8.358 1.00 52.00 H new ATOM 0 HB2 PHE A 425 6.311 3.805 -6.011 1.00 53.13 H new ATOM 0 HB3 PHE A 425 6.172 5.525 -5.709 1.00 53.13 H new ATOM 0 HD1 PHE A 425 4.445 6.919 -7.067 1.00 75.14 H new ATOM 0 HD2 PHE A 425 4.933 2.693 -7.606 1.00 65.31 H new ATOM 0 HE1 PHE A 425 2.327 6.797 -8.278 1.00 40.10 H new ATOM 0 HE2 PHE A 425 2.794 2.617 -8.782 1.00 52.04 H new ATOM 0 HZ PHE A 425 1.499 4.666 -9.123 1.00 64.43 H new ATOM 499 N MET A 426 9.665 6.007 -6.749 1.00 15.25 N ATOM 500 CA MET A 426 10.655 7.035 -6.307 1.00 72.25 C ATOM 501 C MET A 426 11.061 8.112 -7.375 1.00 14.12 C ATOM 502 O MET A 426 11.014 9.281 -7.020 1.00 43.52 O ATOM 503 CB MET A 426 11.967 6.383 -5.820 1.00 15.04 C ATOM 504 CG MET A 426 12.509 6.983 -4.532 1.00 3.12 C ATOM 505 SD MET A 426 13.094 8.692 -4.701 1.00 25.14 S ATOM 506 CE MET A 426 13.011 9.284 -3.009 1.00 1.12 C ATOM 0 H MET A 426 10.072 5.077 -6.853 1.00 15.25 H new ATOM 0 HA MET A 426 10.117 7.547 -5.510 1.00 72.25 H new ATOM 0 HB2 MET A 426 11.798 5.317 -5.670 1.00 15.04 H new ATOM 0 HB3 MET A 426 12.722 6.480 -6.601 1.00 15.04 H new ATOM 0 HG2 MET A 426 11.728 6.951 -3.772 1.00 3.12 H new ATOM 0 HG3 MET A 426 13.330 6.363 -4.172 1.00 3.12 H new ATOM 0 HE1 MET A 426 13.343 10.321 -2.970 1.00 1.12 H new ATOM 0 HE2 MET A 426 11.984 9.218 -2.650 1.00 1.12 H new ATOM 0 HE3 MET A 426 13.656 8.673 -2.378 1.00 1.12 H new ATOM 516 N PRO A 427 11.516 7.754 -8.666 1.00 33.43 N ATOM 517 CA PRO A 427 12.222 8.676 -9.660 1.00 41.21 C ATOM 518 C PRO A 427 11.554 10.061 -10.046 1.00 23.42 C ATOM 519 O PRO A 427 12.092 10.771 -10.901 1.00 24.32 O ATOM 520 CB PRO A 427 12.388 7.732 -10.892 1.00 22.42 C ATOM 521 CG PRO A 427 11.285 6.767 -10.723 1.00 4.34 C ATOM 522 CD PRO A 427 11.427 6.411 -9.295 1.00 3.24 C ATOM 0 HA PRO A 427 13.134 9.069 -9.211 1.00 41.21 H new ATOM 0 HB2 PRO A 427 12.306 8.278 -11.832 1.00 22.42 H new ATOM 0 HB3 PRO A 427 13.360 7.238 -10.894 1.00 22.42 H new ATOM 0 HG2 PRO A 427 10.314 7.211 -10.941 1.00 4.34 H new ATOM 0 HG3 PRO A 427 11.393 5.901 -11.375 1.00 4.34 H new ATOM 0 HD2 PRO A 427 10.574 5.841 -8.927 1.00 3.24 H new ATOM 0 HD3 PRO A 427 12.317 5.810 -9.108 1.00 3.24 H new ATOM 530 N PHE A 428 10.406 10.442 -9.431 1.00 15.01 N ATOM 531 CA PHE A 428 9.843 11.816 -9.552 1.00 63.34 C ATOM 532 C PHE A 428 9.769 12.624 -8.194 1.00 64.54 C ATOM 533 O PHE A 428 9.048 13.622 -8.128 1.00 72.44 O ATOM 534 CB PHE A 428 8.453 11.863 -10.279 1.00 0.10 C ATOM 535 CG PHE A 428 7.941 10.612 -11.003 1.00 42.40 C ATOM 536 CD1 PHE A 428 8.223 10.418 -12.351 1.00 43.01 C ATOM 537 CD2 PHE A 428 7.115 9.680 -10.363 1.00 4.31 C ATOM 538 CE1 PHE A 428 7.709 9.324 -13.042 1.00 21.12 C ATOM 539 CE2 PHE A 428 6.595 8.590 -11.059 1.00 71.43 C ATOM 540 CZ PHE A 428 6.896 8.420 -12.395 1.00 13.33 C ATOM 0 H PHE A 428 9.850 9.819 -8.846 1.00 15.01 H new ATOM 0 HA PHE A 428 10.576 12.320 -10.182 1.00 63.34 H new ATOM 0 HB2 PHE A 428 7.705 12.141 -9.537 1.00 0.10 H new ATOM 0 HB3 PHE A 428 8.493 12.671 -11.010 1.00 0.10 H new ATOM 0 HD1 PHE A 428 8.851 11.127 -12.870 1.00 43.01 H new ATOM 0 HD2 PHE A 428 6.878 9.807 -9.317 1.00 4.31 H new ATOM 0 HE1 PHE A 428 7.948 9.184 -14.086 1.00 21.12 H new ATOM 0 HE2 PHE A 428 5.958 7.880 -10.554 1.00 71.43 H new ATOM 0 HZ PHE A 428 6.493 7.576 -12.935 1.00 13.33 H new ATOM 550 N GLY A 429 10.515 12.230 -7.121 1.00 2.34 N ATOM 551 CA GLY A 429 10.726 13.115 -5.954 1.00 31.32 C ATOM 552 C GLY A 429 10.357 12.518 -4.572 1.00 64.22 C ATOM 553 O GLY A 429 10.212 11.299 -4.454 1.00 62.20 O ATOM 0 H GLY A 429 10.970 11.320 -7.047 1.00 2.34 H new ATOM 0 HA2 GLY A 429 11.775 13.410 -5.932 1.00 31.32 H new ATOM 0 HA3 GLY A 429 10.143 14.024 -6.102 1.00 31.32 H new ATOM 557 N ASN A 430 10.198 13.378 -3.524 1.00 73.55 N ATOM 558 CA ASN A 430 10.230 12.914 -2.111 1.00 64.52 C ATOM 559 C ASN A 430 8.847 12.376 -1.615 1.00 74.02 C ATOM 560 O ASN A 430 7.813 13.038 -1.762 1.00 40.52 O ATOM 561 CB ASN A 430 10.792 14.009 -1.139 1.00 13.34 C ATOM 562 CG ASN A 430 9.982 15.304 -1.049 1.00 43.32 C ATOM 563 OD1 ASN A 430 9.440 15.800 -2.038 1.00 54.23 O ATOM 564 ND2 ASN A 430 9.866 15.849 0.162 1.00 3.23 N ATOM 0 H ASN A 430 10.049 14.381 -3.632 1.00 73.55 H new ATOM 0 HA ASN A 430 10.922 12.072 -2.094 1.00 64.52 H new ATOM 0 HB2 ASN A 430 10.864 13.578 -0.140 1.00 13.34 H new ATOM 0 HB3 ASN A 430 11.806 14.259 -1.452 1.00 13.34 H new ATOM 0 HD21 ASN A 430 9.317 16.699 0.288 1.00 3.23 H new ATOM 0 HD22 ASN A 430 10.326 15.416 0.962 1.00 3.23 H new ATOM 571 N VAL A 431 8.842 11.137 -1.067 1.00 25.21 N ATOM 572 CA VAL A 431 7.596 10.436 -0.643 1.00 2.31 C ATOM 573 C VAL A 431 7.446 10.319 0.931 1.00 12.33 C ATOM 574 O VAL A 431 8.438 10.029 1.615 1.00 11.23 O ATOM 575 CB VAL A 431 7.513 9.034 -1.386 1.00 63.33 C ATOM 576 CG1 VAL A 431 8.873 8.500 -1.761 1.00 71.42 C ATOM 577 CG2 VAL A 431 6.792 7.916 -0.624 1.00 60.52 C ATOM 0 H VAL A 431 9.691 10.596 -0.906 1.00 25.21 H new ATOM 0 HA VAL A 431 6.740 11.040 -0.942 1.00 2.31 H new ATOM 0 HB VAL A 431 6.919 9.281 -2.266 1.00 63.33 H new ATOM 0 HG11 VAL A 431 8.761 7.540 -2.266 1.00 71.42 H new ATOM 0 HG12 VAL A 431 9.369 9.205 -2.428 1.00 71.42 H new ATOM 0 HG13 VAL A 431 9.473 8.368 -0.861 1.00 71.42 H new ATOM 0 HG21 VAL A 431 6.795 7.006 -1.224 1.00 60.52 H new ATOM 0 HG22 VAL A 431 7.304 7.730 0.320 1.00 60.52 H new ATOM 0 HG23 VAL A 431 5.763 8.216 -0.425 1.00 60.52 H new ATOM 587 N ILE A 432 6.208 10.526 1.508 1.00 45.21 N ATOM 588 CA ILE A 432 6.036 10.567 3.001 1.00 12.44 C ATOM 589 C ILE A 432 5.292 9.305 3.624 1.00 35.31 C ATOM 590 O ILE A 432 5.453 9.037 4.816 1.00 21.30 O ATOM 591 CB ILE A 432 5.280 11.860 3.533 1.00 75.13 C ATOM 592 CG1 ILE A 432 5.370 13.069 2.591 1.00 24.04 C ATOM 593 CG2 ILE A 432 5.853 12.326 4.860 1.00 63.44 C ATOM 594 CD1 ILE A 432 4.648 14.321 3.109 1.00 52.14 C ATOM 0 H ILE A 432 5.347 10.662 0.979 1.00 45.21 H new ATOM 0 HA ILE A 432 7.073 10.575 3.335 1.00 12.44 H new ATOM 0 HB ILE A 432 4.241 11.540 3.618 1.00 75.13 H new ATOM 0 HG12 ILE A 432 6.420 13.310 2.426 1.00 24.04 H new ATOM 0 HG13 ILE A 432 4.950 12.794 1.623 1.00 24.04 H new ATOM 0 HG21 ILE A 432 5.315 13.212 5.198 1.00 63.44 H new ATOM 0 HG22 ILE A 432 5.747 11.533 5.600 1.00 63.44 H new ATOM 0 HG23 ILE A 432 6.909 12.568 4.736 1.00 63.44 H new ATOM 0 HD11 ILE A 432 4.759 15.130 2.387 1.00 52.14 H new ATOM 0 HD12 ILE A 432 3.590 14.100 3.247 1.00 52.14 H new ATOM 0 HD13 ILE A 432 5.083 14.624 4.062 1.00 52.14 H new ATOM 606 N SER A 433 4.444 8.579 2.849 1.00 4.23 N ATOM 607 CA SER A 433 3.639 7.420 3.350 1.00 22.31 C ATOM 608 C SER A 433 3.698 6.195 2.373 1.00 35.20 C ATOM 609 O SER A 433 3.479 6.355 1.167 1.00 55.20 O ATOM 610 CB SER A 433 2.165 7.918 3.511 1.00 21.23 C ATOM 611 OG SER A 433 2.091 9.070 4.343 1.00 52.00 O ATOM 0 H SER A 433 4.295 8.776 1.859 1.00 4.23 H new ATOM 0 HA SER A 433 4.047 7.074 4.300 1.00 22.31 H new ATOM 0 HB2 SER A 433 1.749 8.149 2.530 1.00 21.23 H new ATOM 0 HB3 SER A 433 1.555 7.121 3.936 1.00 21.23 H new ATOM 0 HG SER A 433 1.170 9.404 4.358 1.00 52.00 H new ATOM 617 N ALA A 434 4.018 4.984 2.928 1.00 2.12 N ATOM 618 CA ALA A 434 3.940 3.664 2.194 1.00 55.22 C ATOM 619 C ALA A 434 3.358 2.504 3.135 1.00 3.21 C ATOM 620 O ALA A 434 3.966 2.249 4.179 1.00 61.31 O ATOM 621 CB ALA A 434 5.341 3.265 1.690 1.00 50.04 C ATOM 0 H ALA A 434 4.337 4.889 3.892 1.00 2.12 H new ATOM 0 HA ALA A 434 3.263 3.788 1.349 1.00 55.22 H new ATOM 0 HB1 ALA A 434 5.280 2.313 1.162 1.00 50.04 H new ATOM 0 HB2 ALA A 434 5.716 4.032 1.013 1.00 50.04 H new ATOM 0 HB3 ALA A 434 6.018 3.167 2.538 1.00 50.04 H new ATOM 627 N LYS A 435 2.184 1.820 2.818 1.00 30.11 N ATOM 628 CA LYS A 435 1.663 0.657 3.632 1.00 45.11 C ATOM 629 C LYS A 435 0.735 -0.264 2.733 1.00 43.22 C ATOM 630 O LYS A 435 -0.037 0.283 1.934 1.00 63.44 O ATOM 631 CB LYS A 435 0.940 1.127 4.968 1.00 4.41 C ATOM 632 CG LYS A 435 -0.449 1.772 4.892 1.00 34.44 C ATOM 633 CD LYS A 435 -1.551 0.747 5.125 1.00 12.54 C ATOM 634 CE LYS A 435 -2.951 1.361 5.088 1.00 20.42 C ATOM 635 NZ LYS A 435 -3.223 2.247 6.245 1.00 11.42 N ATOM 0 H LYS A 435 1.598 2.057 2.018 1.00 30.11 H new ATOM 0 HA LYS A 435 2.517 0.062 3.957 1.00 45.11 H new ATOM 0 HB2 LYS A 435 0.860 0.256 5.619 1.00 4.41 H new ATOM 0 HB3 LYS A 435 1.602 1.836 5.465 1.00 4.41 H new ATOM 0 HG2 LYS A 435 -0.525 2.565 5.636 1.00 34.44 H new ATOM 0 HG3 LYS A 435 -0.583 2.237 3.915 1.00 34.44 H new ATOM 0 HD2 LYS A 435 -1.481 -0.033 4.367 1.00 12.54 H new ATOM 0 HD3 LYS A 435 -1.396 0.267 6.091 1.00 12.54 H new ATOM 0 HE2 LYS A 435 -3.069 1.930 4.166 1.00 20.42 H new ATOM 0 HE3 LYS A 435 -3.692 0.562 5.066 1.00 20.42 H new ATOM 0 HZ1 LYS A 435 -4.194 2.088 6.583 1.00 11.42 H new ATOM 0 HZ2 LYS A 435 -2.551 2.035 7.010 1.00 11.42 H new ATOM 0 HZ3 LYS A 435 -3.116 3.240 5.955 1.00 11.42 H new ATOM 649 N VAL A 436 0.813 -1.644 2.816 1.00 51.35 N ATOM 650 CA VAL A 436 -0.231 -2.526 2.179 1.00 65.14 C ATOM 651 C VAL A 436 -1.038 -3.260 3.337 1.00 55.03 C ATOM 652 O VAL A 436 -0.686 -4.346 3.799 1.00 75.22 O ATOM 653 CB VAL A 436 0.438 -3.560 1.116 1.00 61.24 C ATOM 654 CG1 VAL A 436 -0.451 -4.744 0.683 1.00 23.41 C ATOM 655 CG2 VAL A 436 0.887 -2.909 -0.209 1.00 33.32 C ATOM 0 H VAL A 436 1.558 -2.148 3.298 1.00 51.35 H new ATOM 0 HA VAL A 436 -0.930 -1.926 1.597 1.00 65.14 H new ATOM 0 HB VAL A 436 1.284 -3.912 1.706 1.00 61.24 H new ATOM 0 HG11 VAL A 436 0.094 -5.368 -0.025 1.00 23.41 H new ATOM 0 HG12 VAL A 436 -0.719 -5.337 1.558 1.00 23.41 H new ATOM 0 HG13 VAL A 436 -1.357 -4.365 0.210 1.00 23.41 H new ATOM 0 HG21 VAL A 436 1.321 -3.669 -0.859 1.00 33.32 H new ATOM 0 HG22 VAL A 436 0.026 -2.458 -0.703 1.00 33.32 H new ATOM 0 HG23 VAL A 436 1.631 -2.140 -0.003 1.00 33.32 H new ATOM 665 N PHE A 437 -2.037 -2.531 3.891 1.00 43.55 N ATOM 666 CA PHE A 437 -3.179 -3.028 4.727 1.00 2.32 C ATOM 667 C PHE A 437 -4.521 -2.524 4.168 1.00 43.22 C ATOM 668 O PHE A 437 -4.552 -1.396 3.685 1.00 32.41 O ATOM 669 CB PHE A 437 -3.103 -2.584 6.216 1.00 51.52 C ATOM 670 CG PHE A 437 -2.330 -3.492 7.155 1.00 34.41 C ATOM 671 CD1 PHE A 437 -2.892 -4.660 7.673 1.00 42.34 C ATOM 672 CD2 PHE A 437 -1.032 -3.172 7.518 1.00 53.25 C ATOM 673 CE1 PHE A 437 -2.161 -5.478 8.528 1.00 42.04 C ATOM 674 CE2 PHE A 437 -0.301 -3.986 8.361 1.00 45.35 C ATOM 675 CZ PHE A 437 -0.864 -5.136 8.865 1.00 35.43 C ATOM 0 H PHE A 437 -2.078 -1.520 3.764 1.00 43.55 H new ATOM 0 HA PHE A 437 -3.108 -4.115 4.685 1.00 2.32 H new ATOM 0 HB2 PHE A 437 -2.653 -1.592 6.254 1.00 51.52 H new ATOM 0 HB3 PHE A 437 -4.120 -2.487 6.595 1.00 51.52 H new ATOM 0 HD1 PHE A 437 -3.903 -4.931 7.408 1.00 42.34 H new ATOM 0 HD2 PHE A 437 -0.583 -2.268 7.134 1.00 53.25 H new ATOM 0 HE1 PHE A 437 -2.605 -6.378 8.928 1.00 42.04 H new ATOM 0 HE2 PHE A 437 0.712 -3.720 8.624 1.00 45.35 H new ATOM 0 HZ PHE A 437 -0.292 -5.772 9.524 1.00 35.43 H new ATOM 866 N GLY A 449 -3.509 -0.096 -2.597 1.00 53.04 N ATOM 867 CA GLY A 449 -2.550 0.549 -1.620 1.00 30.25 C ATOM 868 C GLY A 449 -2.459 2.089 -1.579 1.00 25.54 C ATOM 869 O GLY A 449 -3.122 2.782 -2.347 1.00 63.12 O ATOM 0 HA2 GLY A 449 -2.817 0.207 -0.620 1.00 30.25 H new ATOM 0 HA3 GLY A 449 -1.553 0.164 -1.833 1.00 30.25 H new ATOM 873 N PHE A 450 -1.624 2.616 -0.613 1.00 41.15 N ATOM 874 CA PHE A 450 -1.528 4.095 -0.337 1.00 52.12 C ATOM 875 C PHE A 450 -0.097 4.691 -0.712 1.00 14.43 C ATOM 876 O PHE A 450 0.870 4.275 -0.072 1.00 54.43 O ATOM 877 CB PHE A 450 -1.856 4.300 1.204 1.00 44.21 C ATOM 878 CG PHE A 450 -3.286 4.003 1.601 1.00 71.34 C ATOM 879 CD1 PHE A 450 -3.751 2.730 1.659 1.00 72.35 C ATOM 880 CD2 PHE A 450 -4.155 5.013 1.907 1.00 71.14 C ATOM 881 CE1 PHE A 450 -5.022 2.468 2.012 1.00 73.13 C ATOM 882 CE2 PHE A 450 -5.449 4.762 2.259 1.00 71.04 C ATOM 883 CZ PHE A 450 -5.894 3.479 2.298 1.00 51.00 C ATOM 0 H PHE A 450 -1.018 2.046 -0.023 1.00 41.15 H new ATOM 0 HA PHE A 450 -2.238 4.637 -0.962 1.00 52.12 H new ATOM 0 HB2 PHE A 450 -1.193 3.662 1.789 1.00 44.21 H new ATOM 0 HB3 PHE A 450 -1.627 5.331 1.474 1.00 44.21 H new ATOM 0 HD1 PHE A 450 -3.089 1.912 1.417 1.00 72.35 H new ATOM 0 HD2 PHE A 450 -3.808 6.035 1.869 1.00 71.14 H new ATOM 0 HE1 PHE A 450 -5.358 1.443 2.070 1.00 73.13 H new ATOM 0 HE2 PHE A 450 -6.114 5.577 2.505 1.00 71.04 H new ATOM 0 HZ PHE A 450 -6.921 3.262 2.551 1.00 51.00 H new ATOM 893 N VAL A 451 0.075 5.638 -1.747 1.00 15.54 N ATOM 894 CA VAL A 451 1.378 6.415 -1.913 1.00 21.44 C ATOM 895 C VAL A 451 1.075 7.952 -1.804 1.00 70.43 C ATOM 896 O VAL A 451 0.246 8.448 -2.581 1.00 14.15 O ATOM 897 CB VAL A 451 2.114 6.258 -3.325 1.00 30.05 C ATOM 898 CG1 VAL A 451 3.637 6.218 -3.196 1.00 63.11 C ATOM 899 CG2 VAL A 451 1.604 5.129 -4.188 1.00 73.43 C ATOM 0 H VAL A 451 -0.641 5.863 -2.438 1.00 15.54 H new ATOM 0 HA VAL A 451 2.025 6.006 -1.137 1.00 21.44 H new ATOM 0 HB VAL A 451 1.846 7.170 -3.858 1.00 30.05 H new ATOM 0 HG11 VAL A 451 4.083 6.110 -4.185 1.00 63.11 H new ATOM 0 HG12 VAL A 451 3.988 7.143 -2.738 1.00 63.11 H new ATOM 0 HG13 VAL A 451 3.927 5.372 -2.573 1.00 63.11 H new ATOM 0 HG21 VAL A 451 2.164 5.104 -5.123 1.00 73.43 H new ATOM 0 HG22 VAL A 451 1.732 4.183 -3.662 1.00 73.43 H new ATOM 0 HG23 VAL A 451 0.547 5.284 -4.403 1.00 73.43 H new ATOM 909 N SER A 452 1.698 8.721 -0.868 1.00 74.24 N ATOM 910 CA SER A 452 1.547 10.185 -0.854 1.00 24.43 C ATOM 911 C SER A 452 2.849 10.946 -1.397 1.00 43.54 C ATOM 912 O SER A 452 3.958 10.409 -1.255 1.00 3.31 O ATOM 913 CB SER A 452 1.261 10.550 0.601 1.00 41.23 C ATOM 914 OG SER A 452 2.432 10.528 1.403 1.00 4.22 O ATOM 0 H SER A 452 2.297 8.350 -0.130 1.00 74.24 H new ATOM 0 HA SER A 452 0.743 10.495 -1.522 1.00 24.43 H new ATOM 0 HB2 SER A 452 0.814 11.543 0.643 1.00 41.23 H new ATOM 0 HB3 SER A 452 0.530 9.853 1.011 1.00 41.23 H new ATOM 0 HG SER A 452 2.202 10.769 2.325 1.00 4.22 H new ATOM 920 N TYR A 453 2.727 12.169 -2.036 1.00 75.42 N ATOM 921 CA TYR A 453 3.919 13.063 -2.353 1.00 20.05 C ATOM 922 C TYR A 453 3.842 14.454 -1.612 1.00 40.24 C ATOM 923 O TYR A 453 2.859 14.690 -0.895 1.00 45.44 O ATOM 924 CB TYR A 453 4.024 13.367 -3.865 1.00 45.32 C ATOM 925 CG TYR A 453 4.444 12.252 -4.818 1.00 21.11 C ATOM 926 CD1 TYR A 453 5.767 11.786 -4.941 1.00 3.43 C ATOM 927 CD2 TYR A 453 3.488 11.695 -5.643 1.00 3.14 C ATOM 928 CE1 TYR A 453 6.075 10.791 -5.856 1.00 34.12 C ATOM 929 CE2 TYR A 453 3.792 10.719 -6.551 1.00 63.31 C ATOM 930 CZ TYR A 453 5.081 10.263 -6.655 1.00 2.02 C ATOM 931 OH TYR A 453 5.382 9.289 -7.577 1.00 62.43 O ATOM 0 H TYR A 453 1.832 12.555 -2.338 1.00 75.42 H new ATOM 0 HA TYR A 453 4.789 12.503 -2.011 1.00 20.05 H new ATOM 0 HB2 TYR A 453 3.052 13.733 -4.195 1.00 45.32 H new ATOM 0 HB3 TYR A 453 4.731 14.187 -3.987 1.00 45.32 H new ATOM 0 HD1 TYR A 453 6.545 12.205 -4.320 1.00 3.43 H new ATOM 0 HD2 TYR A 453 2.468 12.041 -5.569 1.00 3.14 H new ATOM 0 HE1 TYR A 453 7.089 10.430 -5.943 1.00 34.12 H new ATOM 0 HE2 TYR A 453 3.019 10.309 -7.184 1.00 63.31 H new ATOM 0 HH TYR A 453 6.169 8.788 -7.278 1.00 62.43 H new ATOM 941 N ASP A 454 4.876 15.381 -1.754 1.00 70.12 N ATOM 942 CA ASP A 454 4.796 16.720 -1.095 1.00 73.40 C ATOM 943 C ASP A 454 4.144 17.901 -1.928 1.00 73.43 C ATOM 944 O ASP A 454 3.654 18.836 -1.290 1.00 62.23 O ATOM 945 CB ASP A 454 6.149 17.198 -0.443 1.00 72.04 C ATOM 946 CG ASP A 454 5.909 17.984 0.837 1.00 3.44 C ATOM 947 OD1 ASP A 454 5.748 17.358 1.908 1.00 32.04 O ATOM 948 OD2 ASP A 454 5.889 19.228 0.772 1.00 61.43 O ATOM 0 H ASP A 454 5.726 15.219 -2.295 1.00 70.12 H new ATOM 0 HA ASP A 454 4.079 16.502 -0.304 1.00 73.40 H new ATOM 0 HB2 ASP A 454 6.775 16.332 -0.227 1.00 72.04 H new ATOM 0 HB3 ASP A 454 6.697 17.817 -1.153 1.00 72.04 H new ATOM 953 N ASN A 455 4.051 17.911 -3.313 1.00 25.35 N ATOM 954 CA ASN A 455 3.469 19.119 -3.982 1.00 5.05 C ATOM 955 C ASN A 455 2.688 18.816 -5.294 1.00 60.14 C ATOM 956 O ASN A 455 3.150 17.940 -6.024 1.00 32.42 O ATOM 957 CB ASN A 455 4.475 20.304 -4.124 1.00 53.54 C ATOM 958 CG ASN A 455 5.775 20.101 -4.920 1.00 32.33 C ATOM 959 OD1 ASN A 455 6.166 20.989 -5.655 1.00 42.45 O ATOM 960 ND2 ASN A 455 6.470 18.981 -4.777 1.00 32.21 N ATOM 0 H ASN A 455 4.348 17.158 -3.933 1.00 25.35 H new ATOM 0 HA ASN A 455 2.707 19.465 -3.283 1.00 5.05 H new ATOM 0 HB2 ASN A 455 3.938 21.135 -4.581 1.00 53.54 H new ATOM 0 HB3 ASN A 455 4.753 20.619 -3.118 1.00 53.54 H new ATOM 0 HD21 ASN A 455 7.345 18.855 -5.286 1.00 32.21 H new ATOM 0 HD22 ASN A 455 6.130 18.245 -4.158 1.00 32.21 H new ATOM 967 N PRO A 456 1.445 19.466 -5.586 1.00 75.03 N ATOM 968 CA PRO A 456 0.573 19.114 -6.762 1.00 73.23 C ATOM 969 C PRO A 456 1.207 19.070 -8.228 1.00 62.24 C ATOM 970 O PRO A 456 0.514 18.648 -9.159 1.00 63.33 O ATOM 971 CB PRO A 456 -0.632 20.113 -6.657 1.00 21.23 C ATOM 972 CG PRO A 456 -0.289 21.101 -5.608 1.00 73.21 C ATOM 973 CD PRO A 456 0.633 20.366 -4.694 1.00 62.54 C ATOM 0 HA PRO A 456 0.313 18.059 -6.675 1.00 73.23 H new ATOM 0 HB2 PRO A 456 -0.805 20.609 -7.612 1.00 21.23 H new ATOM 0 HB3 PRO A 456 -1.550 19.584 -6.402 1.00 21.23 H new ATOM 0 HG2 PRO A 456 0.192 21.982 -6.034 1.00 73.21 H new ATOM 0 HG3 PRO A 456 -1.179 21.447 -5.081 1.00 73.21 H new ATOM 0 HD2 PRO A 456 1.273 21.056 -4.144 1.00 62.54 H new ATOM 0 HD3 PRO A 456 0.077 19.789 -3.955 1.00 62.54 H new ATOM 981 N VAL A 457 2.502 19.471 -8.436 1.00 33.23 N ATOM 982 CA VAL A 457 3.210 19.288 -9.763 1.00 24.42 C ATOM 983 C VAL A 457 3.685 17.782 -9.935 1.00 13.04 C ATOM 984 O VAL A 457 3.612 17.249 -11.045 1.00 73.43 O ATOM 985 CB VAL A 457 4.436 20.314 -10.006 1.00 72.32 C ATOM 986 CG1 VAL A 457 5.149 20.110 -11.359 1.00 55.33 C ATOM 987 CG2 VAL A 457 4.027 21.808 -9.978 1.00 55.32 C ATOM 0 H VAL A 457 3.075 19.917 -7.719 1.00 33.23 H new ATOM 0 HA VAL A 457 2.475 19.528 -10.532 1.00 24.42 H new ATOM 0 HB VAL A 457 5.096 20.081 -9.171 1.00 72.32 H new ATOM 0 HG11 VAL A 457 5.960 20.832 -11.455 1.00 55.33 H new ATOM 0 HG12 VAL A 457 5.555 19.099 -11.408 1.00 55.33 H new ATOM 0 HG13 VAL A 457 4.437 20.255 -12.171 1.00 55.33 H new ATOM 0 HG21 VAL A 457 4.906 22.429 -10.149 1.00 55.32 H new ATOM 0 HG22 VAL A 457 3.291 21.998 -10.759 1.00 55.32 H new ATOM 0 HG23 VAL A 457 3.596 22.049 -9.006 1.00 55.32 H new ATOM 997 N SER A 458 4.119 17.055 -8.846 1.00 62.12 N ATOM 998 CA SER A 458 4.593 15.634 -8.999 1.00 65.11 C ATOM 999 C SER A 458 3.457 14.561 -9.201 1.00 71.03 C ATOM 1000 O SER A 458 3.756 13.439 -9.624 1.00 54.13 O ATOM 1001 CB SER A 458 5.596 15.201 -7.887 1.00 70.41 C ATOM 1002 OG SER A 458 5.319 15.789 -6.629 1.00 41.10 O ATOM 0 H SER A 458 4.150 17.414 -7.892 1.00 62.12 H new ATOM 0 HA SER A 458 5.134 15.655 -9.945 1.00 65.11 H new ATOM 0 HB2 SER A 458 5.572 14.116 -7.787 1.00 70.41 H new ATOM 0 HB3 SER A 458 6.607 15.471 -8.193 1.00 70.41 H new ATOM 0 HG SER A 458 5.977 15.481 -5.972 1.00 41.10 H new ATOM 1008 N ALA A 459 2.163 14.896 -8.921 1.00 45.03 N ATOM 1009 CA ALA A 459 1.018 13.949 -9.148 1.00 20.13 C ATOM 1010 C ALA A 459 0.628 13.814 -10.653 1.00 73.21 C ATOM 1011 O ALA A 459 0.153 12.751 -11.054 1.00 74.51 O ATOM 1012 CB ALA A 459 -0.222 14.239 -8.290 1.00 32.22 C ATOM 0 H ALA A 459 1.885 15.801 -8.543 1.00 45.03 H new ATOM 0 HA ALA A 459 1.406 12.987 -8.814 1.00 20.13 H new ATOM 0 HB1 ALA A 459 -1.000 13.510 -8.516 1.00 32.22 H new ATOM 0 HB2 ALA A 459 0.042 14.172 -7.235 1.00 32.22 H new ATOM 0 HB3 ALA A 459 -0.590 15.241 -8.509 1.00 32.22 H new ATOM 1018 N GLN A 460 0.854 14.878 -11.487 1.00 34.41 N ATOM 1019 CA GLN A 460 0.490 14.879 -12.938 1.00 14.42 C ATOM 1020 C GLN A 460 1.418 13.935 -13.741 1.00 54.30 C ATOM 1021 O GLN A 460 0.931 13.222 -14.626 1.00 30.00 O ATOM 1022 CB GLN A 460 0.506 16.331 -13.544 1.00 52.44 C ATOM 1023 CG GLN A 460 -0.360 17.392 -12.799 1.00 42.22 C ATOM 1024 CD GLN A 460 0.367 18.697 -12.624 1.00 71.14 C ATOM 1025 OE1 GLN A 460 1.591 18.759 -12.602 1.00 60.41 O ATOM 1026 NE2 GLN A 460 -0.383 19.746 -12.420 1.00 43.43 N ATOM 0 H GLN A 460 1.288 15.747 -11.175 1.00 34.41 H new ATOM 0 HA GLN A 460 -0.531 14.505 -13.017 1.00 14.42 H new ATOM 0 HB2 GLN A 460 1.537 16.683 -13.565 1.00 52.44 H new ATOM 0 HB3 GLN A 460 0.167 16.275 -14.578 1.00 52.44 H new ATOM 0 HG2 GLN A 460 -1.281 17.563 -13.356 1.00 42.22 H new ATOM 0 HG3 GLN A 460 -0.646 17.004 -11.822 1.00 42.22 H new ATOM 0 HE21 GLN A 460 -1.399 19.659 -12.445 1.00 43.43 H new ATOM 0 HE22 GLN A 460 0.047 20.652 -12.235 1.00 43.43 H new ATOM 1035 N ALA A 461 2.734 13.896 -13.421 1.00 74.34 N ATOM 1036 CA ALA A 461 3.676 13.000 -14.121 1.00 51.04 C ATOM 1037 C ALA A 461 3.504 11.494 -13.774 1.00 64.43 C ATOM 1038 O ALA A 461 3.736 10.660 -14.654 1.00 11.52 O ATOM 1039 CB ALA A 461 5.145 13.449 -13.956 1.00 54.22 C ATOM 0 H ALA A 461 3.160 14.468 -12.692 1.00 74.34 H new ATOM 0 HA ALA A 461 3.411 13.093 -15.174 1.00 51.04 H new ATOM 0 HB1 ALA A 461 5.799 12.758 -14.489 1.00 54.22 H new ATOM 0 HB2 ALA A 461 5.267 14.452 -14.365 1.00 54.22 H new ATOM 0 HB3 ALA A 461 5.407 13.454 -12.898 1.00 54.22 H new ATOM 1045 N ALA A 462 3.117 11.116 -12.521 1.00 2.20 N ATOM 1046 CA ALA A 462 2.849 9.701 -12.216 1.00 15.45 C ATOM 1047 C ALA A 462 1.567 9.159 -12.853 1.00 60.12 C ATOM 1048 O ALA A 462 1.628 8.053 -13.361 1.00 71.12 O ATOM 1049 CB ALA A 462 2.886 9.371 -10.714 1.00 50.11 C ATOM 0 H ALA A 462 2.990 11.756 -11.737 1.00 2.20 H new ATOM 0 HA ALA A 462 3.685 9.181 -12.684 1.00 15.45 H new ATOM 0 HB1 ALA A 462 2.679 8.311 -10.569 1.00 50.11 H new ATOM 0 HB2 ALA A 462 3.872 9.606 -10.314 1.00 50.11 H new ATOM 0 HB3 ALA A 462 2.133 9.962 -10.193 1.00 50.11 H new ATOM 1055 N ILE A 463 0.428 9.920 -12.873 1.00 42.44 N ATOM 1056 CA ILE A 463 -0.839 9.427 -13.426 1.00 71.22 C ATOM 1057 C ILE A 463 -0.654 8.997 -14.925 1.00 73.23 C ATOM 1058 O ILE A 463 -1.116 7.921 -15.253 1.00 32.31 O ATOM 1059 CB ILE A 463 -2.042 10.469 -13.191 1.00 4.35 C ATOM 1060 CG1 ILE A 463 -2.359 10.665 -11.636 1.00 35.24 C ATOM 1061 CG2 ILE A 463 -3.345 10.092 -13.945 1.00 53.22 C ATOM 1062 CD1 ILE A 463 -3.458 11.682 -11.301 1.00 52.53 C ATOM 0 H ILE A 463 0.380 10.872 -12.509 1.00 42.44 H new ATOM 0 HA ILE A 463 -1.134 8.530 -12.881 1.00 71.22 H new ATOM 0 HB ILE A 463 -1.686 11.411 -13.609 1.00 4.35 H new ATOM 0 HG12 ILE A 463 -2.644 9.699 -11.218 1.00 35.24 H new ATOM 0 HG13 ILE A 463 -1.442 10.971 -11.133 1.00 35.24 H new ATOM 0 HG21 ILE A 463 -4.113 10.838 -13.740 1.00 53.22 H new ATOM 0 HG22 ILE A 463 -3.148 10.058 -15.017 1.00 53.22 H new ATOM 0 HG23 ILE A 463 -3.690 9.115 -13.608 1.00 53.22 H new ATOM 0 HD11 ILE A 463 -3.589 11.734 -10.220 1.00 52.53 H new ATOM 0 HD12 ILE A 463 -3.173 12.664 -11.679 1.00 52.53 H new ATOM 0 HD13 ILE A 463 -4.394 11.372 -11.765 1.00 52.53 H new ATOM 1074 N GLN A 464 0.123 9.749 -15.790 1.00 24.20 N ATOM 1075 CA GLN A 464 0.366 9.295 -17.201 1.00 34.11 C ATOM 1076 C GLN A 464 1.254 7.991 -17.342 1.00 75.24 C ATOM 1077 O GLN A 464 0.872 7.102 -18.099 1.00 23.00 O ATOM 1078 CB GLN A 464 0.911 10.454 -18.112 1.00 31.43 C ATOM 1079 CG GLN A 464 0.667 10.239 -19.623 1.00 13.51 C ATOM 1080 CD GLN A 464 -0.557 10.981 -20.169 1.00 75.50 C ATOM 1081 OE1 GLN A 464 -0.624 11.287 -21.353 1.00 33.04 O ATOM 1082 NE2 GLN A 464 -1.508 11.314 -19.308 1.00 21.42 N ATOM 0 H GLN A 464 0.570 10.632 -15.542 1.00 24.20 H new ATOM 0 HA GLN A 464 -0.622 9.008 -17.560 1.00 34.11 H new ATOM 0 HB2 GLN A 464 0.442 11.390 -17.809 1.00 31.43 H new ATOM 0 HB3 GLN A 464 1.982 10.563 -17.940 1.00 31.43 H new ATOM 0 HG2 GLN A 464 1.551 10.563 -20.173 1.00 13.51 H new ATOM 0 HG3 GLN A 464 0.547 9.172 -19.813 1.00 13.51 H new ATOM 0 HE21 GLN A 464 -1.425 11.045 -18.328 1.00 21.42 H new ATOM 0 HE22 GLN A 464 -2.323 11.839 -19.626 1.00 21.42 H new ATOM 1091 N ALA A 465 2.414 7.855 -16.638 1.00 22.33 N ATOM 1092 CA ALA A 465 3.274 6.614 -16.742 1.00 1.13 C ATOM 1093 C ALA A 465 2.760 5.381 -15.879 1.00 43.41 C ATOM 1094 O ALA A 465 3.330 4.288 -15.944 1.00 70.30 O ATOM 1095 CB ALA A 465 4.759 6.960 -16.443 1.00 54.14 C ATOM 0 H ALA A 465 2.779 8.565 -16.003 1.00 22.33 H new ATOM 0 HA ALA A 465 3.192 6.271 -17.773 1.00 1.13 H new ATOM 0 HB1 ALA A 465 5.366 6.058 -16.521 1.00 54.14 H new ATOM 0 HB2 ALA A 465 5.112 7.699 -17.162 1.00 54.14 H new ATOM 0 HB3 ALA A 465 4.842 7.367 -15.435 1.00 54.14 H new ATOM 1101 N MET A 466 1.665 5.572 -15.114 1.00 60.11 N ATOM 1102 CA MET A 466 1.067 4.570 -14.158 1.00 64.24 C ATOM 1103 C MET A 466 -0.389 4.178 -14.514 1.00 72.01 C ATOM 1104 O MET A 466 -0.876 3.165 -14.002 1.00 23.14 O ATOM 1105 CB MET A 466 1.139 5.055 -12.673 1.00 25.21 C ATOM 1106 CG MET A 466 2.454 4.786 -11.914 1.00 64.54 C ATOM 1107 SD MET A 466 3.969 5.383 -12.689 1.00 14.04 S ATOM 1108 CE MET A 466 5.187 4.566 -11.655 1.00 32.42 C ATOM 0 H MET A 466 1.144 6.449 -15.133 1.00 60.11 H new ATOM 0 HA MET A 466 1.683 3.677 -14.265 1.00 64.24 H new ATOM 0 HB2 MET A 466 0.952 6.129 -12.657 1.00 25.21 H new ATOM 0 HB3 MET A 466 0.326 4.582 -12.122 1.00 25.21 H new ATOM 0 HG2 MET A 466 2.376 5.238 -10.925 1.00 64.54 H new ATOM 0 HG3 MET A 466 2.548 3.710 -11.766 1.00 64.54 H new ATOM 0 HE1 MET A 466 6.188 4.827 -11.997 1.00 32.42 H new ATOM 0 HE2 MET A 466 5.061 4.888 -10.621 1.00 32.42 H new ATOM 0 HE3 MET A 466 5.052 3.486 -11.718 1.00 32.42 H new ATOM 1118 N ASN A 467 -1.111 4.937 -15.375 1.00 32.42 N ATOM 1119 CA ASN A 467 -2.343 4.398 -15.958 1.00 24.24 C ATOM 1120 C ASN A 467 -1.901 3.371 -17.074 1.00 53.50 C ATOM 1121 O ASN A 467 -1.090 3.737 -17.920 1.00 73.13 O ATOM 1122 CB ASN A 467 -3.361 5.491 -16.464 1.00 52.33 C ATOM 1123 CG ASN A 467 -2.875 6.641 -17.368 1.00 52.42 C ATOM 1124 OD1 ASN A 467 -3.342 7.769 -17.213 1.00 24.32 O ATOM 1125 ND2 ASN A 467 -2.016 6.401 -18.321 1.00 14.32 N ATOM 0 H ASN A 467 -0.868 5.884 -15.666 1.00 32.42 H new ATOM 0 HA ASN A 467 -2.925 3.894 -15.186 1.00 24.24 H new ATOM 0 HB2 ASN A 467 -4.154 4.971 -17.001 1.00 52.33 H new ATOM 0 HB3 ASN A 467 -3.816 5.943 -15.582 1.00 52.33 H new ATOM 0 HD21 ASN A 467 -1.725 7.152 -18.947 1.00 14.32 H new ATOM 0 HD22 ASN A 467 -1.635 5.462 -18.440 1.00 14.32 H new ATOM 1132 N GLY A 468 -2.346 2.094 -17.086 1.00 12.45 N ATOM 1133 CA GLY A 468 -1.849 1.191 -18.140 1.00 40.14 C ATOM 1134 C GLY A 468 -0.730 0.171 -17.820 1.00 0.54 C ATOM 1135 O GLY A 468 -0.268 -0.448 -18.776 1.00 40.13 O ATOM 0 H GLY A 468 -3.006 1.687 -16.423 1.00 12.45 H new ATOM 0 HA2 GLY A 468 -2.704 0.628 -18.514 1.00 40.14 H new ATOM 0 HA3 GLY A 468 -1.494 1.815 -18.961 1.00 40.14 H new ATOM 1139 N PHE A 469 -0.258 -0.047 -16.559 1.00 71.20 N ATOM 1140 CA PHE A 469 0.984 -0.871 -16.391 1.00 2.12 C ATOM 1141 C PHE A 469 0.627 -2.410 -16.428 1.00 3.31 C ATOM 1142 O PHE A 469 -0.040 -2.901 -15.512 1.00 21.33 O ATOM 1143 CB PHE A 469 1.774 -0.498 -15.065 1.00 63.24 C ATOM 1144 CG PHE A 469 3.315 -0.508 -15.170 1.00 33.25 C ATOM 1145 CD1 PHE A 469 4.023 -1.670 -15.471 1.00 31.30 C ATOM 1146 CD2 PHE A 469 4.057 0.656 -14.948 1.00 73.21 C ATOM 1147 CE1 PHE A 469 5.415 -1.667 -15.549 1.00 50.03 C ATOM 1148 CE2 PHE A 469 5.445 0.652 -15.023 1.00 52.10 C ATOM 1149 CZ PHE A 469 6.114 -0.508 -15.324 1.00 60.23 C ATOM 0 H PHE A 469 -0.679 0.305 -15.699 1.00 71.20 H new ATOM 0 HA PHE A 469 1.648 -0.645 -17.226 1.00 2.12 H new ATOM 0 HB2 PHE A 469 1.458 0.495 -14.744 1.00 63.24 H new ATOM 0 HB3 PHE A 469 1.478 -1.195 -14.281 1.00 63.24 H new ATOM 0 HD1 PHE A 469 3.484 -2.589 -15.647 1.00 31.30 H new ATOM 0 HD2 PHE A 469 3.542 1.576 -14.714 1.00 73.21 H new ATOM 0 HE1 PHE A 469 5.944 -2.578 -15.787 1.00 50.03 H new ATOM 0 HE2 PHE A 469 5.998 1.563 -14.844 1.00 52.10 H new ATOM 0 HZ PHE A 469 7.192 -0.508 -15.384 1.00 60.23 H new ATOM 1159 N GLN A 470 1.047 -3.157 -17.505 1.00 3.03 N ATOM 1160 CA GLN A 470 0.679 -4.594 -17.712 1.00 1.14 C ATOM 1161 C GLN A 470 1.833 -5.574 -17.257 1.00 24.45 C ATOM 1162 O GLN A 470 2.950 -5.463 -17.775 1.00 61.12 O ATOM 1163 CB GLN A 470 0.380 -4.743 -19.249 1.00 34.24 C ATOM 1164 CG GLN A 470 -0.401 -5.985 -19.722 1.00 1.44 C ATOM 1165 CD GLN A 470 -1.817 -5.652 -20.132 1.00 31.44 C ATOM 1166 OE1 GLN A 470 -2.077 -4.632 -20.769 1.00 21.21 O ATOM 1167 NE2 GLN A 470 -2.754 -6.469 -19.692 1.00 11.20 N ATOM 0 H GLN A 470 1.643 -2.780 -18.242 1.00 3.03 H new ATOM 0 HA GLN A 470 -0.186 -4.863 -17.105 1.00 1.14 H new ATOM 0 HB2 GLN A 470 -0.174 -3.860 -19.568 1.00 34.24 H new ATOM 0 HB3 GLN A 470 1.334 -4.728 -19.777 1.00 34.24 H new ATOM 0 HG2 GLN A 470 0.121 -6.440 -20.564 1.00 1.44 H new ATOM 0 HG3 GLN A 470 -0.422 -6.725 -18.922 1.00 1.44 H new ATOM 0 HE21 GLN A 470 -2.496 -7.305 -19.167 1.00 11.20 H new ATOM 0 HE22 GLN A 470 -3.736 -6.265 -19.876 1.00 11.20 H new ATOM 1176 N ILE A 471 1.588 -6.529 -16.279 1.00 30.15 N ATOM 1177 CA ILE A 471 2.672 -7.474 -15.759 1.00 43.04 C ATOM 1178 C ILE A 471 2.047 -8.899 -15.501 1.00 74.13 C ATOM 1179 O ILE A 471 1.462 -9.097 -14.426 1.00 21.11 O ATOM 1180 CB ILE A 471 3.351 -6.975 -14.386 1.00 0.12 C ATOM 1181 CG1 ILE A 471 3.360 -5.427 -14.343 1.00 70.15 C ATOM 1182 CG2 ILE A 471 4.785 -7.506 -14.202 1.00 73.42 C ATOM 1183 CD1 ILE A 471 3.929 -4.729 -13.101 1.00 61.25 C ATOM 0 H ILE A 471 0.676 -6.666 -15.843 1.00 30.15 H new ATOM 0 HA ILE A 471 3.447 -7.502 -16.525 1.00 43.04 H new ATOM 0 HB ILE A 471 2.753 -7.376 -13.568 1.00 0.12 H new ATOM 0 HG12 ILE A 471 3.923 -5.075 -15.207 1.00 70.15 H new ATOM 0 HG13 ILE A 471 2.333 -5.087 -14.472 1.00 70.15 H new ATOM 0 HG21 ILE A 471 5.191 -7.137 -13.260 1.00 73.42 H new ATOM 0 HG22 ILE A 471 4.771 -8.596 -14.189 1.00 73.42 H new ATOM 0 HG23 ILE A 471 5.409 -7.161 -15.026 1.00 73.42 H new ATOM 0 HD11 ILE A 471 3.863 -3.649 -13.228 1.00 61.25 H new ATOM 0 HD12 ILE A 471 3.357 -5.027 -12.222 1.00 61.25 H new ATOM 0 HD13 ILE A 471 4.972 -5.015 -12.969 1.00 61.25 H new ATOM 1195 N GLY A 472 2.108 -9.882 -16.473 1.00 21.24 N ATOM 1196 CA GLY A 472 1.534 -11.229 -16.240 1.00 3.41 C ATOM 1197 C GLY A 472 -0.038 -11.253 -16.282 1.00 25.14 C ATOM 1198 O GLY A 472 -0.604 -11.127 -17.370 1.00 11.32 O ATOM 0 H GLY A 472 2.538 -9.756 -17.389 1.00 21.24 H new ATOM 0 HA2 GLY A 472 1.921 -11.916 -16.993 1.00 3.41 H new ATOM 0 HA3 GLY A 472 1.870 -11.596 -15.270 1.00 3.41 H new ATOM 1202 N MET A 473 -0.753 -11.403 -15.121 1.00 45.21 N ATOM 1203 CA MET A 473 -2.284 -11.483 -15.128 1.00 1.31 C ATOM 1204 C MET A 473 -3.041 -10.385 -14.301 1.00 31.03 C ATOM 1205 O MET A 473 -4.160 -10.633 -13.840 1.00 50.54 O ATOM 1206 CB MET A 473 -2.850 -12.948 -14.854 1.00 31.43 C ATOM 1207 CG MET A 473 -2.395 -13.779 -13.619 1.00 21.51 C ATOM 1208 SD MET A 473 -3.792 -14.400 -12.670 1.00 44.44 S ATOM 1209 CE MET A 473 -4.302 -15.774 -13.696 1.00 73.22 C ATOM 0 H MET A 473 -0.330 -11.470 -14.195 1.00 45.21 H new ATOM 0 HA MET A 473 -2.521 -11.237 -16.163 1.00 1.31 H new ATOM 0 HB2 MET A 473 -3.935 -12.862 -14.796 1.00 31.43 H new ATOM 0 HB3 MET A 473 -2.624 -13.545 -15.738 1.00 31.43 H new ATOM 0 HG2 MET A 473 -1.782 -14.617 -13.952 1.00 21.51 H new ATOM 0 HG3 MET A 473 -1.768 -13.160 -12.977 1.00 21.51 H new ATOM 0 HE1 MET A 473 -5.162 -16.267 -13.243 1.00 73.22 H new ATOM 0 HE2 MET A 473 -4.573 -15.408 -14.686 1.00 73.22 H new ATOM 0 HE3 MET A 473 -3.482 -16.486 -13.785 1.00 73.22 H new ATOM 1219 N LYS A 474 -2.465 -9.158 -14.162 1.00 12.30 N ATOM 1220 CA LYS A 474 -3.180 -7.985 -13.604 1.00 21.22 C ATOM 1221 C LYS A 474 -2.710 -6.690 -14.315 1.00 42.03 C ATOM 1222 O LYS A 474 -1.559 -6.640 -14.770 1.00 43.40 O ATOM 1223 CB LYS A 474 -2.980 -7.805 -12.074 1.00 53.34 C ATOM 1224 CG LYS A 474 -4.146 -8.396 -11.187 1.00 20.23 C ATOM 1225 CD LYS A 474 -3.816 -8.501 -9.701 1.00 4.43 C ATOM 1226 CE LYS A 474 -4.979 -9.025 -8.847 1.00 43.41 C ATOM 1227 NZ LYS A 474 -4.588 -9.111 -7.409 1.00 43.41 N ATOM 0 H LYS A 474 -1.501 -8.960 -14.432 1.00 12.30 H new ATOM 0 HA LYS A 474 -4.240 -8.171 -13.778 1.00 21.22 H new ATOM 0 HB2 LYS A 474 -2.043 -8.281 -11.784 1.00 53.34 H new ATOM 0 HB3 LYS A 474 -2.878 -6.742 -11.856 1.00 53.34 H new ATOM 0 HG2 LYS A 474 -5.030 -7.770 -11.307 1.00 20.23 H new ATOM 0 HG3 LYS A 474 -4.404 -9.387 -11.560 1.00 20.23 H new ATOM 0 HD2 LYS A 474 -2.958 -9.161 -9.574 1.00 4.43 H new ATOM 0 HD3 LYS A 474 -3.520 -7.519 -9.333 1.00 4.43 H new ATOM 0 HE2 LYS A 474 -5.840 -8.366 -8.955 1.00 43.41 H new ATOM 0 HE3 LYS A 474 -5.284 -10.009 -9.205 1.00 43.41 H new ATOM 0 HZ1 LYS A 474 -5.376 -8.782 -6.815 1.00 43.41 H new ATOM 0 HZ2 LYS A 474 -4.362 -10.097 -7.169 1.00 43.41 H new ATOM 0 HZ3 LYS A 474 -3.754 -8.513 -7.240 1.00 43.41 H new ATOM 1241 N ARG A 475 -3.572 -5.660 -14.431 1.00 14.22 N ATOM 1242 CA ARG A 475 -3.100 -4.281 -14.626 1.00 11.52 C ATOM 1243 C ARG A 475 -3.058 -3.504 -13.265 1.00 73.11 C ATOM 1244 O ARG A 475 -3.958 -3.673 -12.457 1.00 10.14 O ATOM 1245 CB ARG A 475 -4.055 -3.401 -15.524 1.00 44.32 C ATOM 1246 CG ARG A 475 -4.181 -3.683 -17.012 1.00 25.52 C ATOM 1247 CD ARG A 475 -3.253 -2.775 -17.838 1.00 70.54 C ATOM 1248 NE ARG A 475 -3.618 -2.747 -19.256 1.00 12.44 N ATOM 1249 CZ ARG A 475 -4.420 -1.835 -19.822 1.00 12.22 C ATOM 1250 NH1 ARG A 475 -4.950 -0.846 -19.109 1.00 14.34 N ATOM 1251 NH2 ARG A 475 -4.691 -1.914 -21.113 1.00 14.44 N ATOM 0 H ARG A 475 -4.587 -5.758 -14.393 1.00 14.22 H new ATOM 0 HA ARG A 475 -2.124 -4.406 -15.095 1.00 11.52 H new ATOM 0 HB2 ARG A 475 -5.055 -3.470 -15.096 1.00 44.32 H new ATOM 0 HB3 ARG A 475 -3.734 -2.365 -15.418 1.00 44.32 H new ATOM 0 HG2 ARG A 475 -3.938 -4.727 -17.207 1.00 25.52 H new ATOM 0 HG3 ARG A 475 -5.214 -3.532 -17.326 1.00 25.52 H new ATOM 0 HD2 ARG A 475 -3.288 -1.762 -17.436 1.00 70.54 H new ATOM 0 HD3 ARG A 475 -2.225 -3.122 -17.737 1.00 70.54 H new ATOM 0 HE ARG A 475 -3.233 -3.476 -19.857 1.00 12.44 H new ATOM 0 HH11 ARG A 475 -4.748 -0.771 -18.112 1.00 14.34 H new ATOM 0 HH12 ARG A 475 -5.558 -0.162 -19.559 1.00 14.34 H new ATOM 0 HH21 ARG A 475 -4.290 -2.666 -21.673 1.00 14.44 H new ATOM 0 HH22 ARG A 475 -5.301 -1.223 -21.549 1.00 14.44 H new ATOM 1265 N LEU A 476 -2.020 -2.664 -13.038 1.00 34.33 N ATOM 1266 CA LEU A 476 -2.132 -1.453 -12.142 1.00 11.24 C ATOM 1267 C LEU A 476 -3.248 -0.420 -12.650 1.00 62.23 C ATOM 1268 O LEU A 476 -3.169 0.005 -13.808 1.00 3.43 O ATOM 1269 CB LEU A 476 -0.774 -0.670 -12.197 1.00 30.24 C ATOM 1270 CG LEU A 476 -0.357 0.291 -11.051 1.00 42.32 C ATOM 1271 CD1 LEU A 476 0.349 -0.427 -9.877 1.00 20.30 C ATOM 1272 CD2 LEU A 476 0.591 1.348 -11.583 1.00 65.22 C ATOM 0 H LEU A 476 -1.096 -2.788 -13.452 1.00 34.33 H new ATOM 0 HA LEU A 476 -2.389 -1.813 -11.146 1.00 11.24 H new ATOM 0 HB2 LEU A 476 0.018 -1.412 -12.295 1.00 30.24 H new ATOM 0 HB3 LEU A 476 -0.780 -0.086 -13.117 1.00 30.24 H new ATOM 0 HG LEU A 476 -1.282 0.730 -10.676 1.00 42.32 H new ATOM 0 HD11 LEU A 476 0.614 0.302 -9.111 1.00 20.30 H new ATOM 0 HD12 LEU A 476 -0.321 -1.174 -9.451 1.00 20.30 H new ATOM 0 HD13 LEU A 476 1.253 -0.916 -10.240 1.00 20.30 H new ATOM 0 HD21 LEU A 476 0.879 2.019 -10.774 1.00 65.22 H new ATOM 0 HD22 LEU A 476 1.480 0.867 -11.990 1.00 65.22 H new ATOM 0 HD23 LEU A 476 0.096 1.919 -12.368 1.00 65.22 H new ATOM 1284 N LYS A 477 -4.288 -0.023 -11.812 1.00 42.33 N ATOM 1285 CA LYS A 477 -5.258 1.098 -12.207 1.00 51.24 C ATOM 1286 C LYS A 477 -5.270 2.248 -11.095 1.00 11.45 C ATOM 1287 O LYS A 477 -5.664 1.978 -9.962 1.00 71.21 O ATOM 1288 CB LYS A 477 -6.687 0.490 -12.567 1.00 10.12 C ATOM 1289 CG LYS A 477 -7.998 1.397 -12.789 1.00 72.41 C ATOM 1290 CD LYS A 477 -7.790 2.819 -13.356 1.00 64.25 C ATOM 1291 CE LYS A 477 -9.146 3.550 -13.581 1.00 1.34 C ATOM 1292 NZ LYS A 477 -8.980 5.030 -13.623 1.00 61.14 N ATOM 0 H LYS A 477 -4.474 -0.439 -10.899 1.00 42.33 H new ATOM 0 HA LYS A 477 -4.918 1.591 -13.118 1.00 51.24 H new ATOM 0 HB2 LYS A 477 -6.555 -0.090 -13.480 1.00 10.12 H new ATOM 0 HB3 LYS A 477 -6.931 -0.216 -11.773 1.00 10.12 H new ATOM 0 HG2 LYS A 477 -8.669 0.861 -13.461 1.00 72.41 H new ATOM 0 HG3 LYS A 477 -8.511 1.488 -11.832 1.00 72.41 H new ATOM 0 HD2 LYS A 477 -7.173 3.399 -12.669 1.00 64.25 H new ATOM 0 HD3 LYS A 477 -7.247 2.759 -14.299 1.00 64.25 H new ATOM 0 HE2 LYS A 477 -9.592 3.208 -14.515 1.00 1.34 H new ATOM 0 HE3 LYS A 477 -9.838 3.285 -12.782 1.00 1.34 H new ATOM 0 HZ1 LYS A 477 -9.906 5.479 -13.774 1.00 61.14 H new ATOM 0 HZ2 LYS A 477 -8.578 5.360 -12.722 1.00 61.14 H new ATOM 0 HZ3 LYS A 477 -8.340 5.286 -14.402 1.00 61.14 H new ATOM 1306 N VAL A 478 -4.845 3.534 -11.424 1.00 14.22 N ATOM 1307 CA VAL A 478 -4.605 4.614 -10.417 1.00 61.10 C ATOM 1308 C VAL A 478 -5.875 5.544 -10.307 1.00 35.32 C ATOM 1309 O VAL A 478 -6.464 5.862 -11.351 1.00 54.54 O ATOM 1310 CB VAL A 478 -3.260 5.437 -10.805 1.00 52.04 C ATOM 1311 CG1 VAL A 478 -3.325 6.967 -10.735 1.00 42.34 C ATOM 1312 CG2 VAL A 478 -2.054 5.056 -9.952 1.00 11.14 C ATOM 0 H VAL A 478 -4.667 3.829 -12.384 1.00 14.22 H new ATOM 0 HA VAL A 478 -4.445 4.176 -9.432 1.00 61.10 H new ATOM 0 HB VAL A 478 -3.161 5.138 -11.849 1.00 52.04 H new ATOM 0 HG11 VAL A 478 -2.360 7.386 -11.019 1.00 42.34 H new ATOM 0 HG12 VAL A 478 -4.093 7.330 -11.418 1.00 42.34 H new ATOM 0 HG13 VAL A 478 -3.569 7.275 -9.718 1.00 42.34 H new ATOM 0 HG21 VAL A 478 -1.189 5.642 -10.262 1.00 11.14 H new ATOM 0 HG22 VAL A 478 -2.272 5.258 -8.903 1.00 11.14 H new ATOM 0 HG23 VAL A 478 -1.838 3.995 -10.080 1.00 11.14 H new ATOM 1322 N GLN A 479 -6.350 5.965 -9.076 1.00 64.33 N ATOM 1323 CA GLN A 479 -7.490 6.905 -8.998 1.00 45.23 C ATOM 1324 C GLN A 479 -7.017 8.294 -8.456 1.00 11.43 C ATOM 1325 O GLN A 479 -6.448 8.342 -7.360 1.00 15.11 O ATOM 1326 CB GLN A 479 -8.697 6.361 -8.110 1.00 31.12 C ATOM 1327 CG GLN A 479 -8.664 4.865 -7.726 1.00 5.24 C ATOM 1328 CD GLN A 479 -10.031 4.354 -7.294 1.00 22.43 C ATOM 1329 OE1 GLN A 479 -10.861 4.018 -8.132 1.00 31.54 O ATOM 1330 NE2 GLN A 479 -10.242 4.176 -5.997 1.00 22.43 N ATOM 0 H GLN A 479 -5.968 5.673 -8.176 1.00 64.33 H new ATOM 0 HA GLN A 479 -7.867 7.011 -10.015 1.00 45.23 H new ATOM 0 HB2 GLN A 479 -8.733 6.946 -7.191 1.00 31.12 H new ATOM 0 HB3 GLN A 479 -9.626 6.553 -8.647 1.00 31.12 H new ATOM 0 HG2 GLN A 479 -8.311 4.281 -8.576 1.00 5.24 H new ATOM 0 HG3 GLN A 479 -7.949 4.715 -6.917 1.00 5.24 H new ATOM 0 HE21 GLN A 479 -9.535 4.465 -5.321 1.00 22.43 H new ATOM 0 HE22 GLN A 479 -11.111 3.750 -5.675 1.00 22.43 H new