USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 419 GLN : amide:sc= -1.21 K(o=-2.8,f=-0.33) USER MOD Set 1.2: A 423 GLN : amide:sc= -1.62 K(o=-2.8,f=-0.33) USER MOD Set 2.1: A 398 GLN : amide:sc= -0.28 X(o=-2.8,f=-2.9) USER MOD Set 2.2: A 433 SER OG : rot 180:sc= -0.525 USER MOD Set 2.3: A 452 SER OG : rot 172:sc= -2! USER MOD Single : A 399 LYS NZ :NH3+ 168:sc= -0.0266 (180deg=-0.207) USER MOD Single : A 406 ASN : amide:sc= 0.14 X(o=0.14,f=-0.24) 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=-0.04) USER MOD Single : A 414 GLN : amide:sc= -1.33 K(o=-1.3,f=-1.8) USER MOD Single : A 424 MET CE :methyl 155:sc= -0.12 (180deg=-0.669) USER MOD Single : A 426 MET CE :methyl -155:sc= -0.25 (180deg=-1.58!) USER MOD Single : A 430 ASN : amide:sc= 0.423 K(o=0.42,f=-4.3!) USER MOD Single : A 435 LYS NZ :NH3+ -159:sc= -0.135 (180deg=-0.242) USER MOD Single : A 453 TYR OH : rot 17:sc= -0.566 USER MOD Single : A 455 ASN : amide:sc= -0.322 K(o=-0.32,f=-1) USER MOD Single : A 458 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 460 GLN : amide:sc=-0.00443 K(o=-0.0044,f=-0.69) USER MOD Single : A 464 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.6) USER MOD Single : A 466 MET CE :methyl -143:sc= 0 (180deg=-1.03) USER MOD Single : A 467 ASN : amide:sc= 0.854 K(o=0.85,f=-0.06) USER MOD Single : A 470 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.0016) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 158:sc= 0.0433 (180deg=-0.159) USER MOD Single : A 477 LYS NZ :NH3+ -161:sc= -0.186 (180deg=-0.631) USER MOD Single : A 479 GLN : amide:sc= -0.68 K(o=-0.68,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 0.906 7.000 7.439 1.00 35.12 N ATOM 57 CA GLN A 398 -0.004 7.673 6.481 1.00 64.21 C ATOM 58 C GLN A 398 -0.539 9.011 7.073 1.00 1.22 C ATOM 59 O GLN A 398 -1.476 9.017 7.872 1.00 1.25 O ATOM 60 CB GLN A 398 -1.151 6.681 6.060 1.00 74.33 C ATOM 61 CG GLN A 398 -2.385 7.257 5.283 1.00 73.45 C ATOM 62 CD GLN A 398 -2.069 7.800 3.889 1.00 23.14 C ATOM 63 OE1 GLN A 398 -1.606 8.931 3.745 1.00 65.53 O ATOM 64 NE2 GLN A 398 -2.433 7.047 2.850 1.00 22.32 N ATOM 0 HA GLN A 398 0.542 7.942 5.577 1.00 64.21 H new ATOM 0 HB2 GLN A 398 -0.705 5.900 5.444 1.00 74.33 H new ATOM 0 HB3 GLN A 398 -1.523 6.200 6.965 1.00 74.33 H new ATOM 0 HG2 GLN A 398 -3.136 6.473 5.190 1.00 73.45 H new ATOM 0 HG3 GLN A 398 -2.830 8.056 5.877 1.00 73.45 H new ATOM 0 HE21 GLN A 398 -2.813 6.113 3.005 1.00 22.32 H new ATOM 0 HE22 GLN A 398 -2.331 7.405 1.900 1.00 22.32 H new ATOM 73 N LYS A 399 0.119 10.136 6.702 1.00 63.50 N ATOM 74 CA LYS A 399 -0.221 11.482 7.148 1.00 15.55 C ATOM 75 C LYS A 399 0.146 12.516 6.030 1.00 22.21 C ATOM 76 O LYS A 399 1.294 12.949 5.901 1.00 11.14 O ATOM 77 CB LYS A 399 0.373 11.808 8.568 1.00 12.21 C ATOM 78 CG LYS A 399 1.912 11.893 8.787 1.00 44.14 C ATOM 79 CD LYS A 399 2.700 10.712 8.219 1.00 64.32 C ATOM 80 CE LYS A 399 4.221 10.791 8.500 1.00 30.01 C ATOM 81 NZ LYS A 399 4.501 10.895 9.959 1.00 74.52 N ATOM 0 H LYS A 399 0.918 10.117 6.069 1.00 63.50 H new ATOM 0 HA LYS A 399 -1.298 11.553 7.297 1.00 15.55 H new ATOM 0 HB2 LYS A 399 -0.048 12.764 8.880 1.00 12.21 H new ATOM 0 HB3 LYS A 399 -0.007 11.052 9.256 1.00 12.21 H new ATOM 0 HG2 LYS A 399 2.281 12.812 8.332 1.00 44.14 H new ATOM 0 HG3 LYS A 399 2.111 11.965 9.856 1.00 44.14 H new ATOM 0 HD2 LYS A 399 2.308 9.787 8.642 1.00 64.32 H new ATOM 0 HD3 LYS A 399 2.540 10.663 7.142 1.00 64.32 H new ATOM 0 HE2 LYS A 399 4.713 9.906 8.096 1.00 30.01 H new ATOM 0 HE3 LYS A 399 4.643 11.654 7.985 1.00 30.01 H new ATOM 0 HZ1 LYS A 399 5.515 10.742 10.130 1.00 74.52 H new ATOM 0 HZ2 LYS A 399 4.232 11.841 10.298 1.00 74.52 H new ATOM 0 HZ3 LYS A 399 3.952 10.175 10.470 1.00 74.52 H new ATOM 95 N GLU A 400 -0.857 12.821 5.172 1.00 20.02 N ATOM 96 CA GLU A 400 -0.705 13.746 3.993 1.00 44.21 C ATOM 97 C GLU A 400 -0.489 15.247 4.399 1.00 10.21 C ATOM 98 O GLU A 400 -0.751 15.631 5.546 1.00 45.32 O ATOM 99 CB GLU A 400 -1.869 13.626 2.949 1.00 13.05 C ATOM 100 CG GLU A 400 -3.278 13.632 3.532 1.00 54.45 C ATOM 101 CD GLU A 400 -4.148 14.758 3.010 1.00 43.03 C ATOM 102 OE1 GLU A 400 -4.028 15.898 3.510 1.00 2.43 O ATOM 103 OE2 GLU A 400 -4.977 14.486 2.113 1.00 41.30 O ATOM 0 H GLU A 400 -1.798 12.440 5.266 1.00 20.02 H new ATOM 0 HA GLU A 400 0.208 13.402 3.507 1.00 44.21 H new ATOM 0 HB2 GLU A 400 -1.784 14.450 2.241 1.00 13.05 H new ATOM 0 HB3 GLU A 400 -1.733 12.704 2.384 1.00 13.05 H new ATOM 0 HG2 GLU A 400 -3.758 12.680 3.308 1.00 54.45 H new ATOM 0 HG3 GLU A 400 -3.212 13.708 4.617 1.00 54.45 H new ATOM 110 N GLY A 401 0.007 16.087 3.450 1.00 44.54 N ATOM 111 CA GLY A 401 0.485 17.444 3.791 1.00 52.02 C ATOM 112 C GLY A 401 -0.477 18.554 3.347 1.00 30.21 C ATOM 113 O GLY A 401 -1.318 18.944 4.155 1.00 75.41 O ATOM 0 H GLY A 401 0.083 15.849 2.461 1.00 44.54 H new ATOM 0 HA2 GLY A 401 0.632 17.510 4.869 1.00 52.02 H new ATOM 0 HA3 GLY A 401 1.457 17.607 3.326 1.00 52.02 H new ATOM 117 N PRO A 402 -0.393 19.137 2.099 1.00 11.32 N ATOM 118 CA PRO A 402 -1.318 20.201 1.701 1.00 33.02 C ATOM 119 C PRO A 402 -2.554 19.685 0.935 1.00 33.53 C ATOM 120 O PRO A 402 -2.628 18.504 0.566 1.00 44.42 O ATOM 121 CB PRO A 402 -0.374 21.045 0.820 1.00 61.44 C ATOM 122 CG PRO A 402 0.287 20.014 0.008 1.00 63.40 C ATOM 123 CD PRO A 402 0.612 18.911 0.996 1.00 2.32 C ATOM 0 HA PRO A 402 -1.779 20.737 2.531 1.00 33.02 H new ATOM 0 HB2 PRO A 402 -0.920 21.761 0.205 1.00 61.44 H new ATOM 0 HB3 PRO A 402 0.339 21.615 1.415 1.00 61.44 H new ATOM 0 HG2 PRO A 402 -0.366 19.656 -0.788 1.00 63.40 H new ATOM 0 HG3 PRO A 402 1.188 20.400 -0.468 1.00 63.40 H new ATOM 0 HD2 PRO A 402 0.504 17.923 0.548 1.00 2.32 H new ATOM 0 HD3 PRO A 402 1.636 18.985 1.362 1.00 2.32 H new ATOM 131 N GLU A 403 -3.550 20.574 0.779 1.00 13.43 N ATOM 132 CA GLU A 403 -4.647 20.394 -0.158 1.00 32.50 C ATOM 133 C GLU A 403 -4.044 20.196 -1.568 1.00 4.43 C ATOM 134 O GLU A 403 -3.313 21.054 -2.091 1.00 12.12 O ATOM 135 CB GLU A 403 -5.612 21.624 -0.019 1.00 44.32 C ATOM 136 CG GLU A 403 -5.362 22.884 -0.888 1.00 43.04 C ATOM 137 CD GLU A 403 -6.352 23.023 -2.028 1.00 12.31 C ATOM 138 OE1 GLU A 403 -7.471 23.509 -1.780 1.00 34.02 O ATOM 139 OE2 GLU A 403 -6.003 22.669 -3.173 1.00 21.21 O ATOM 0 H GLU A 403 -3.607 21.443 1.310 1.00 13.43 H new ATOM 0 HA GLU A 403 -5.249 19.508 0.045 1.00 32.50 H new ATOM 0 HB2 GLU A 403 -6.622 21.274 -0.232 1.00 44.32 H new ATOM 0 HB3 GLU A 403 -5.596 21.937 1.025 1.00 44.32 H new ATOM 0 HG2 GLU A 403 -5.416 23.771 -0.257 1.00 43.04 H new ATOM 0 HG3 GLU A 403 -4.351 22.844 -1.294 1.00 43.04 H new ATOM 146 N GLY A 404 -4.227 19.006 -2.117 1.00 64.33 N ATOM 147 CA GLY A 404 -3.673 18.734 -3.402 1.00 45.15 C ATOM 148 C GLY A 404 -3.272 17.272 -3.658 1.00 62.01 C ATOM 149 O GLY A 404 -3.958 16.573 -4.407 1.00 42.13 O ATOM 0 H GLY A 404 -4.746 18.238 -1.692 1.00 64.33 H new ATOM 0 HA2 GLY A 404 -4.398 19.031 -4.160 1.00 45.15 H new ATOM 0 HA3 GLY A 404 -2.793 19.362 -3.539 1.00 45.15 H new ATOM 153 N ALA A 405 -2.168 16.802 -3.034 1.00 12.24 N ATOM 154 CA ALA A 405 -1.548 15.534 -3.429 1.00 61.51 C ATOM 155 C ALA A 405 -2.179 14.336 -2.647 1.00 45.15 C ATOM 156 O ALA A 405 -1.985 14.231 -1.434 1.00 20.11 O ATOM 157 CB ALA A 405 -0.102 15.651 -2.991 1.00 61.01 C ATOM 0 H ALA A 405 -1.699 17.281 -2.265 1.00 12.24 H new ATOM 0 HA ALA A 405 -1.677 15.356 -4.497 1.00 61.51 H new ATOM 0 HB1 ALA A 405 0.432 14.738 -3.252 1.00 61.01 H new ATOM 0 HB2 ALA A 405 0.363 16.499 -3.493 1.00 61.01 H new ATOM 0 HB3 ALA A 405 -0.060 15.800 -1.912 1.00 61.01 H new ATOM 163 N ASN A 406 -2.933 13.442 -3.335 1.00 51.12 N ATOM 164 CA ASN A 406 -3.318 12.052 -2.824 1.00 14.22 C ATOM 165 C ASN A 406 -3.691 11.066 -4.003 1.00 35.43 C ATOM 166 O ASN A 406 -4.673 11.307 -4.707 1.00 35.24 O ATOM 167 CB ASN A 406 -4.468 12.211 -1.711 1.00 43.53 C ATOM 168 CG ASN A 406 -5.424 13.401 -1.917 1.00 20.04 C ATOM 169 OD1 ASN A 406 -5.788 13.736 -3.036 1.00 71.43 O ATOM 170 ND2 ASN A 406 -5.818 14.082 -0.822 1.00 40.51 N ATOM 0 H ASN A 406 -3.304 13.641 -4.264 1.00 51.12 H new ATOM 0 HA ASN A 406 -2.458 11.580 -2.348 1.00 14.22 H new ATOM 0 HB2 ASN A 406 -5.056 11.294 -1.687 1.00 43.53 H new ATOM 0 HB3 ASN A 406 -3.994 12.312 -0.735 1.00 43.53 H new ATOM 0 HD21 ASN A 406 -6.430 14.892 -0.918 1.00 40.51 H new ATOM 0 HD22 ASN A 406 -5.504 13.787 0.102 1.00 40.51 H new ATOM 177 N LEU A 407 -2.890 9.955 -4.230 1.00 61.24 N ATOM 178 CA LEU A 407 -3.195 8.917 -5.263 1.00 62.44 C ATOM 179 C LEU A 407 -3.464 7.509 -4.600 1.00 1.14 C ATOM 180 O LEU A 407 -2.584 7.063 -3.861 1.00 20.40 O ATOM 181 CB LEU A 407 -1.930 8.702 -6.126 1.00 71.14 C ATOM 182 CG LEU A 407 -1.297 9.876 -6.885 1.00 62.31 C ATOM 183 CD1 LEU A 407 -2.338 10.747 -7.591 1.00 23.11 C ATOM 184 CD2 LEU A 407 -0.377 10.683 -5.992 1.00 14.41 C ATOM 0 H LEU A 407 -2.035 9.770 -3.706 1.00 61.24 H new ATOM 0 HA LEU A 407 -4.063 9.260 -5.826 1.00 62.44 H new ATOM 0 HB2 LEU A 407 -1.161 8.289 -5.473 1.00 71.14 H new ATOM 0 HB3 LEU A 407 -2.169 7.934 -6.862 1.00 71.14 H new ATOM 0 HG LEU A 407 -0.680 9.448 -7.675 1.00 62.31 H new ATOM 0 HD11 LEU A 407 -1.837 11.563 -8.112 1.00 23.11 H new ATOM 0 HD12 LEU A 407 -2.891 10.142 -8.310 1.00 23.11 H new ATOM 0 HD13 LEU A 407 -3.029 11.157 -6.855 1.00 23.11 H new ATOM 0 HD21 LEU A 407 0.054 11.506 -6.562 1.00 14.41 H new ATOM 0 HD22 LEU A 407 -0.944 11.082 -5.151 1.00 14.41 H new ATOM 0 HD23 LEU A 407 0.422 10.042 -5.619 1.00 14.41 H new ATOM 196 N PHE A 408 -4.598 6.758 -4.840 1.00 55.50 N ATOM 197 CA PHE A 408 -4.658 5.339 -4.304 1.00 3.42 C ATOM 198 C PHE A 408 -4.779 4.276 -5.440 1.00 72.11 C ATOM 199 O PHE A 408 -5.209 4.603 -6.546 1.00 32.23 O ATOM 200 CB PHE A 408 -5.704 5.096 -3.152 1.00 72.43 C ATOM 201 CG PHE A 408 -5.566 6.027 -1.944 1.00 5.14 C ATOM 202 CD1 PHE A 408 -4.313 6.326 -1.396 1.00 72.51 C ATOM 203 CD2 PHE A 408 -6.680 6.611 -1.372 1.00 51.24 C ATOM 204 CE1 PHE A 408 -4.174 7.190 -0.320 1.00 75.52 C ATOM 205 CE2 PHE A 408 -6.554 7.471 -0.293 1.00 24.24 C ATOM 206 CZ PHE A 408 -5.302 7.770 0.226 1.00 11.24 C ATOM 0 H PHE A 408 -5.419 7.074 -5.356 1.00 55.50 H new ATOM 0 HA PHE A 408 -3.690 5.202 -3.822 1.00 3.42 H new ATOM 0 HB2 PHE A 408 -6.707 5.206 -3.564 1.00 72.43 H new ATOM 0 HB3 PHE A 408 -5.612 4.065 -2.810 1.00 72.43 H new ATOM 0 HD1 PHE A 408 -3.431 5.872 -1.823 1.00 72.51 H new ATOM 0 HD2 PHE A 408 -7.660 6.395 -1.771 1.00 51.24 H new ATOM 0 HE1 PHE A 408 -3.197 7.406 0.085 1.00 75.52 H new ATOM 0 HE2 PHE A 408 -7.436 7.912 0.147 1.00 24.24 H new ATOM 0 HZ PHE A 408 -5.210 8.455 1.056 1.00 11.24 H new ATOM 216 N ILE A 409 -4.391 2.994 -5.157 1.00 41.51 N ATOM 217 CA ILE A 409 -4.075 1.977 -6.259 1.00 3.02 C ATOM 218 C ILE A 409 -5.165 0.815 -6.219 1.00 44.24 C ATOM 219 O ILE A 409 -5.202 0.091 -5.223 1.00 41.02 O ATOM 220 CB ILE A 409 -2.566 1.340 -6.197 1.00 24.45 C ATOM 221 CG1 ILE A 409 -1.371 2.336 -6.547 1.00 44.24 C ATOM 222 CG2 ILE A 409 -2.370 0.122 -7.183 1.00 2.53 C ATOM 223 CD1 ILE A 409 -1.228 3.758 -5.953 1.00 72.55 C ATOM 0 H ILE A 409 -4.286 2.630 -4.210 1.00 41.51 H new ATOM 0 HA ILE A 409 -4.112 2.524 -7.201 1.00 3.02 H new ATOM 0 HB ILE A 409 -2.510 1.052 -5.147 1.00 24.45 H new ATOM 0 HG12 ILE A 409 -0.451 1.808 -6.297 1.00 44.24 H new ATOM 0 HG13 ILE A 409 -1.384 2.458 -7.630 1.00 44.24 H new ATOM 0 HG21 ILE A 409 -1.351 -0.256 -7.096 1.00 2.53 H new ATOM 0 HG22 ILE A 409 -3.074 -0.670 -6.928 1.00 2.53 H new ATOM 0 HG23 ILE A 409 -2.549 0.450 -8.207 1.00 2.53 H new ATOM 0 HD11 ILE A 409 -0.330 4.230 -6.351 1.00 72.55 H new ATOM 0 HD12 ILE A 409 -2.100 4.354 -6.221 1.00 72.55 H new ATOM 0 HD13 ILE A 409 -1.153 3.693 -4.868 1.00 72.55 H new ATOM 235 N TYR A 410 -6.066 0.626 -7.270 1.00 62.53 N ATOM 236 CA TYR A 410 -6.913 -0.611 -7.358 1.00 4.32 C ATOM 237 C TYR A 410 -6.196 -1.602 -8.308 1.00 3.31 C ATOM 238 O TYR A 410 -5.578 -1.148 -9.277 1.00 65.02 O ATOM 239 CB TYR A 410 -8.347 -0.350 -7.958 1.00 62.44 C ATOM 240 CG TYR A 410 -9.474 0.300 -7.146 1.00 64.24 C ATOM 241 CD1 TYR A 410 -9.313 1.103 -6.015 1.00 1.42 C ATOM 242 CD2 TYR A 410 -10.783 0.090 -7.600 1.00 21.53 C ATOM 243 CE1 TYR A 410 -10.417 1.656 -5.396 1.00 24.21 C ATOM 244 CE2 TYR A 410 -11.868 0.648 -6.965 1.00 12.24 C ATOM 245 CZ TYR A 410 -11.682 1.426 -5.869 1.00 14.23 C ATOM 246 OH TYR A 410 -12.762 1.999 -5.231 1.00 63.13 O ATOM 0 H TYR A 410 -6.209 1.293 -8.028 1.00 62.53 H new ATOM 0 HA TYR A 410 -7.040 -0.990 -6.344 1.00 4.32 H new ATOM 0 HB2 TYR A 410 -8.206 0.267 -8.845 1.00 62.44 H new ATOM 0 HB3 TYR A 410 -8.724 -1.315 -8.297 1.00 62.44 H new ATOM 0 HD1 TYR A 410 -8.324 1.292 -5.624 1.00 1.42 H new ATOM 0 HD2 TYR A 410 -10.944 -0.527 -8.472 1.00 21.53 H new ATOM 0 HE1 TYR A 410 -10.281 2.280 -4.525 1.00 24.21 H new ATOM 0 HE2 TYR A 410 -12.865 0.467 -7.338 1.00 12.24 H new ATOM 0 HH TYR A 410 -13.588 1.740 -5.690 1.00 63.13 H new ATOM 256 N HIS A 411 -6.283 -2.943 -8.009 1.00 41.51 N ATOM 257 CA HIS A 411 -5.624 -4.037 -8.793 1.00 42.41 C ATOM 258 C HIS A 411 -4.090 -4.006 -8.711 1.00 30.53 C ATOM 259 O HIS A 411 -3.397 -3.794 -9.711 1.00 31.25 O ATOM 260 CB HIS A 411 -6.027 -4.081 -10.254 1.00 72.30 C ATOM 261 CG HIS A 411 -7.466 -4.379 -10.545 1.00 21.10 C ATOM 262 ND1 HIS A 411 -8.284 -5.153 -9.740 1.00 22.54 N ATOM 263 CD2 HIS A 411 -8.244 -3.947 -11.560 1.00 65.32 C ATOM 264 CE1 HIS A 411 -9.500 -5.174 -10.254 1.00 13.12 C ATOM 265 NE2 HIS A 411 -9.499 -4.455 -11.360 1.00 10.22 N ATOM 0 H HIS A 411 -6.816 -3.291 -7.212 1.00 41.51 H new ATOM 0 HA HIS A 411 -5.991 -4.941 -8.308 1.00 42.41 H new ATOM 0 HB2 HIS A 411 -5.781 -3.119 -10.704 1.00 72.30 H new ATOM 0 HB3 HIS A 411 -5.416 -4.833 -10.753 1.00 72.30 H new ATOM 0 HD2 HIS A 411 -7.933 -3.316 -12.380 1.00 65.32 H new ATOM 0 HE1 HIS A 411 -10.352 -5.692 -9.839 1.00 13.12 H new ATOM 0 HE2 HIS A 411 -10.304 -4.302 -11.968 1.00 10.22 H new ATOM 274 N LEU A 412 -3.584 -4.161 -7.504 1.00 14.03 N ATOM 275 CA LEU A 412 -2.158 -4.287 -7.240 1.00 24.25 C ATOM 276 C LEU A 412 -1.611 -5.609 -7.855 1.00 34.42 C ATOM 277 O LEU A 412 -2.212 -6.674 -7.638 1.00 3.00 O ATOM 278 CB LEU A 412 -1.864 -4.161 -5.699 1.00 60.02 C ATOM 279 CG LEU A 412 -0.520 -4.736 -5.188 1.00 55.51 C ATOM 280 CD1 LEU A 412 0.197 -3.760 -4.268 1.00 5.42 C ATOM 281 CD2 LEU A 412 -0.688 -6.066 -4.427 1.00 73.42 C ATOM 0 H LEU A 412 -4.159 -4.204 -6.663 1.00 14.03 H new ATOM 0 HA LEU A 412 -1.627 -3.467 -7.724 1.00 24.25 H new ATOM 0 HB2 LEU A 412 -1.903 -3.105 -5.432 1.00 60.02 H new ATOM 0 HB3 LEU A 412 -2.671 -4.656 -5.159 1.00 60.02 H new ATOM 0 HG LEU A 412 0.071 -4.912 -6.087 1.00 55.51 H new ATOM 0 HD11 LEU A 412 1.135 -4.200 -3.931 1.00 5.42 H new ATOM 0 HD12 LEU A 412 0.403 -2.836 -4.808 1.00 5.42 H new ATOM 0 HD13 LEU A 412 -0.433 -3.544 -3.405 1.00 5.42 H new ATOM 0 HD21 LEU A 412 0.287 -6.420 -4.093 1.00 73.42 H new ATOM 0 HD22 LEU A 412 -1.333 -5.911 -3.562 1.00 73.42 H new ATOM 0 HD23 LEU A 412 -1.137 -6.808 -5.087 1.00 73.42 H new ATOM 293 N PRO A 413 -0.528 -5.569 -8.699 1.00 13.24 N ATOM 294 CA PRO A 413 0.119 -6.782 -9.238 1.00 73.32 C ATOM 295 C PRO A 413 0.986 -7.616 -8.250 1.00 33.23 C ATOM 296 O PRO A 413 1.097 -7.298 -7.069 1.00 5.33 O ATOM 297 CB PRO A 413 0.855 -6.317 -10.456 1.00 74.44 C ATOM 298 CG PRO A 413 1.219 -4.922 -10.194 1.00 25.22 C ATOM 299 CD PRO A 413 0.155 -4.344 -9.287 1.00 64.20 C ATOM 0 HA PRO A 413 -0.643 -7.526 -9.470 1.00 73.32 H new ATOM 0 HB2 PRO A 413 1.742 -6.926 -10.633 1.00 74.44 H new ATOM 0 HB3 PRO A 413 0.230 -6.398 -11.345 1.00 74.44 H new ATOM 0 HG2 PRO A 413 2.200 -4.863 -9.723 1.00 25.22 H new ATOM 0 HG3 PRO A 413 1.278 -4.359 -11.125 1.00 25.22 H new ATOM 0 HD2 PRO A 413 0.591 -3.717 -8.509 1.00 64.20 H new ATOM 0 HD3 PRO A 413 -0.548 -3.722 -9.841 1.00 64.20 H new ATOM 307 N GLN A 414 1.596 -8.683 -8.807 1.00 71.25 N ATOM 308 CA GLN A 414 1.831 -10.018 -8.222 1.00 64.53 C ATOM 309 C GLN A 414 2.052 -10.233 -6.666 1.00 62.33 C ATOM 310 O GLN A 414 1.160 -10.837 -6.070 1.00 31.34 O ATOM 311 CB GLN A 414 3.114 -10.490 -8.974 1.00 65.41 C ATOM 312 CG GLN A 414 4.164 -9.374 -9.302 1.00 41.32 C ATOM 313 CD GLN A 414 5.338 -9.303 -8.342 1.00 2.50 C ATOM 314 OE1 GLN A 414 5.772 -10.312 -7.794 1.00 73.25 O ATOM 315 NE2 GLN A 414 5.825 -8.088 -8.116 1.00 33.41 N ATOM 0 H GLN A 414 1.967 -8.627 -9.755 1.00 71.25 H new ATOM 0 HA GLN A 414 0.894 -10.562 -8.342 1.00 64.53 H new ATOM 0 HB2 GLN A 414 3.603 -11.257 -8.373 1.00 65.41 H new ATOM 0 HB3 GLN A 414 2.811 -10.963 -9.908 1.00 65.41 H new ATOM 0 HG2 GLN A 414 4.546 -9.539 -10.309 1.00 41.32 H new ATOM 0 HG3 GLN A 414 3.658 -8.409 -9.307 1.00 41.32 H new ATOM 0 HE21 GLN A 414 5.428 -7.282 -8.598 1.00 33.41 H new ATOM 0 HE22 GLN A 414 6.596 -7.961 -7.460 1.00 33.41 H new ATOM 324 N GLU A 415 3.126 -9.804 -5.973 1.00 63.04 N ATOM 325 CA GLU A 415 3.113 -9.802 -4.476 1.00 25.01 C ATOM 326 C GLU A 415 3.272 -8.392 -3.864 1.00 71.22 C ATOM 327 O GLU A 415 3.426 -8.297 -2.641 1.00 45.14 O ATOM 328 CB GLU A 415 4.147 -10.839 -3.871 1.00 53.41 C ATOM 329 CG GLU A 415 5.531 -10.303 -3.471 1.00 61.11 C ATOM 330 CD GLU A 415 6.410 -9.881 -4.632 1.00 72.25 C ATOM 331 OE1 GLU A 415 7.114 -10.752 -5.193 1.00 25.21 O ATOM 332 OE2 GLU A 415 6.420 -8.678 -4.969 1.00 2.23 O ATOM 0 H GLU A 415 3.989 -9.464 -6.396 1.00 63.04 H new ATOM 0 HA GLU A 415 2.117 -10.137 -4.186 1.00 25.01 H new ATOM 0 HB2 GLU A 415 3.693 -11.293 -2.990 1.00 53.41 H new ATOM 0 HB3 GLU A 415 4.292 -11.636 -4.601 1.00 53.41 H new ATOM 0 HG2 GLU A 415 5.396 -9.449 -2.807 1.00 61.11 H new ATOM 0 HG3 GLU A 415 6.052 -11.072 -2.900 1.00 61.11 H new ATOM 339 N PHE A 416 3.035 -7.315 -4.656 1.00 30.32 N ATOM 340 CA PHE A 416 3.848 -6.036 -4.529 1.00 45.11 C ATOM 341 C PHE A 416 3.808 -5.494 -3.061 1.00 70.21 C ATOM 342 O PHE A 416 2.779 -4.970 -2.633 1.00 35.21 O ATOM 343 CB PHE A 416 3.333 -4.891 -5.492 1.00 43.32 C ATOM 344 CG PHE A 416 4.135 -4.399 -6.680 1.00 45.14 C ATOM 345 CD1 PHE A 416 5.153 -5.093 -7.350 1.00 74.10 C ATOM 346 CD2 PHE A 416 3.801 -3.122 -7.136 1.00 61.30 C ATOM 347 CE1 PHE A 416 5.795 -4.517 -8.434 1.00 63.23 C ATOM 348 CE2 PHE A 416 4.433 -2.553 -8.218 1.00 23.44 C ATOM 349 CZ PHE A 416 5.433 -3.255 -8.875 1.00 30.41 C ATOM 0 H PHE A 416 2.313 -7.285 -5.376 1.00 30.32 H new ATOM 0 HA PHE A 416 4.867 -6.299 -4.812 1.00 45.11 H new ATOM 0 HB2 PHE A 416 2.371 -5.222 -5.882 1.00 43.32 H new ATOM 0 HB3 PHE A 416 3.140 -4.021 -4.865 1.00 43.32 H new ATOM 0 HD1 PHE A 416 5.438 -6.081 -7.019 1.00 74.10 H new ATOM 0 HD2 PHE A 416 3.027 -2.567 -6.627 1.00 61.30 H new ATOM 0 HE1 PHE A 416 6.583 -5.056 -8.939 1.00 63.23 H new ATOM 0 HE2 PHE A 416 4.152 -1.566 -8.554 1.00 23.44 H new ATOM 0 HZ PHE A 416 5.929 -2.818 -9.729 1.00 30.41 H new ATOM 359 N GLY A 417 4.904 -5.675 -2.262 1.00 51.24 N ATOM 360 CA GLY A 417 4.871 -5.293 -0.854 1.00 32.35 C ATOM 361 C GLY A 417 5.396 -3.880 -0.553 1.00 34.22 C ATOM 362 O GLY A 417 5.661 -3.122 -1.488 1.00 24.13 O ATOM 0 H GLY A 417 5.788 -6.074 -2.578 1.00 51.24 H new ATOM 0 HA2 GLY A 417 3.844 -5.367 -0.497 1.00 32.35 H new ATOM 0 HA3 GLY A 417 5.459 -6.012 -0.284 1.00 32.35 H new ATOM 366 N ASP A 418 5.522 -3.522 0.763 1.00 22.51 N ATOM 367 CA ASP A 418 6.007 -2.189 1.207 1.00 31.02 C ATOM 368 C ASP A 418 7.361 -1.804 0.590 1.00 64.31 C ATOM 369 O ASP A 418 7.538 -0.661 0.156 1.00 2.13 O ATOM 370 CB ASP A 418 6.124 -2.115 2.749 1.00 54.32 C ATOM 371 CG ASP A 418 4.800 -1.880 3.458 1.00 52.23 C ATOM 372 OD1 ASP A 418 3.884 -2.724 3.319 1.00 33.14 O ATOM 373 OD2 ASP A 418 4.691 -0.887 4.200 1.00 64.53 O ATOM 0 H ASP A 418 5.291 -4.149 1.534 1.00 22.51 H new ATOM 0 HA ASP A 418 5.259 -1.478 0.856 1.00 31.02 H new ATOM 0 HB2 ASP A 418 6.561 -3.044 3.115 1.00 54.32 H new ATOM 0 HB3 ASP A 418 6.813 -1.313 3.013 1.00 54.32 H new ATOM 378 N GLN A 419 8.300 -2.774 0.550 1.00 15.14 N ATOM 379 CA GLN A 419 9.644 -2.549 0.004 1.00 24.21 C ATOM 380 C GLN A 419 9.642 -2.118 -1.475 1.00 20.23 C ATOM 381 O GLN A 419 10.389 -1.200 -1.829 1.00 41.15 O ATOM 382 CB GLN A 419 10.600 -3.756 0.205 1.00 73.20 C ATOM 383 CG GLN A 419 10.372 -4.975 -0.735 1.00 23.43 C ATOM 384 CD GLN A 419 11.549 -5.292 -1.647 1.00 63.20 C ATOM 385 OE1 GLN A 419 11.740 -6.443 -2.027 1.00 62.23 O ATOM 386 NE2 GLN A 419 12.342 -4.293 -2.021 1.00 61.43 N ATOM 0 H GLN A 419 8.145 -3.722 0.892 1.00 15.14 H new ATOM 0 HA GLN A 419 10.030 -1.716 0.591 1.00 24.21 H new ATOM 0 HB2 GLN A 419 11.624 -3.408 0.073 1.00 73.20 H new ATOM 0 HB3 GLN A 419 10.510 -4.097 1.236 1.00 73.20 H new ATOM 0 HG2 GLN A 419 10.153 -5.852 -0.126 1.00 23.43 H new ATOM 0 HG3 GLN A 419 9.492 -4.785 -1.350 1.00 23.43 H new ATOM 0 HE21 GLN A 419 12.160 -3.346 -1.690 1.00 61.43 H new ATOM 0 HE22 GLN A 419 13.133 -4.474 -2.639 1.00 61.43 H new ATOM 395 N ASP A 420 8.810 -2.758 -2.338 1.00 33.40 N ATOM 396 CA ASP A 420 8.774 -2.369 -3.766 1.00 13.32 C ATOM 397 C ASP A 420 8.249 -0.946 -3.959 1.00 22.41 C ATOM 398 O ASP A 420 8.877 -0.185 -4.683 1.00 64.11 O ATOM 399 CB ASP A 420 8.013 -3.347 -4.691 1.00 44.41 C ATOM 400 CG ASP A 420 7.012 -2.682 -5.579 1.00 2.50 C ATOM 401 OD1 ASP A 420 5.871 -2.491 -5.123 1.00 52.13 O ATOM 402 OD2 ASP A 420 7.386 -2.312 -6.705 1.00 14.45 O ATOM 0 H ASP A 420 8.179 -3.517 -2.081 1.00 33.40 H new ATOM 0 HA ASP A 420 9.818 -2.415 -4.075 1.00 13.32 H new ATOM 0 HB2 ASP A 420 8.733 -3.883 -5.309 1.00 44.41 H new ATOM 0 HB3 ASP A 420 7.504 -4.090 -4.078 1.00 44.41 H new ATOM 407 N ILE A 421 7.103 -0.598 -3.305 1.00 11.14 N ATOM 408 CA ILE A 421 6.405 0.681 -3.567 1.00 5.10 C ATOM 409 C ILE A 421 7.292 1.918 -3.263 1.00 21.25 C ATOM 410 O ILE A 421 7.023 3.027 -3.753 1.00 15.54 O ATOM 411 CB ILE A 421 4.977 0.763 -2.812 1.00 53.13 C ATOM 412 CG1 ILE A 421 3.779 0.922 -3.813 1.00 22.32 C ATOM 413 CG2 ILE A 421 4.871 1.835 -1.716 1.00 71.04 C ATOM 414 CD1 ILE A 421 2.449 1.443 -3.257 1.00 75.44 C ATOM 0 H ILE A 421 6.653 -1.183 -2.601 1.00 11.14 H new ATOM 0 HA ILE A 421 6.201 0.702 -4.638 1.00 5.10 H new ATOM 0 HB ILE A 421 4.912 -0.201 -2.308 1.00 53.13 H new ATOM 0 HG12 ILE A 421 4.095 1.595 -4.610 1.00 22.32 H new ATOM 0 HG13 ILE A 421 3.593 -0.050 -4.271 1.00 22.32 H new ATOM 0 HG21 ILE A 421 3.875 1.806 -1.274 1.00 71.04 H new ATOM 0 HG22 ILE A 421 5.616 1.642 -0.945 1.00 71.04 H new ATOM 0 HG23 ILE A 421 5.046 2.819 -2.151 1.00 71.04 H new ATOM 0 HD11 ILE A 421 1.716 1.501 -4.062 1.00 75.44 H new ATOM 0 HD12 ILE A 421 2.087 0.765 -2.484 1.00 75.44 H new ATOM 0 HD13 ILE A 421 2.597 2.435 -2.829 1.00 75.44 H new ATOM 426 N LEU A 422 8.387 1.711 -2.521 1.00 34.22 N ATOM 427 CA LEU A 422 9.198 2.783 -2.078 1.00 44.24 C ATOM 428 C LEU A 422 10.234 3.102 -3.198 1.00 23.23 C ATOM 429 O LEU A 422 10.598 4.244 -3.414 1.00 61.13 O ATOM 430 CB LEU A 422 9.858 2.452 -0.668 1.00 52.22 C ATOM 431 CG LEU A 422 10.885 3.481 -0.106 1.00 35.00 C ATOM 432 CD1 LEU A 422 10.295 4.884 0.130 1.00 71.11 C ATOM 433 CD2 LEU A 422 11.515 3.049 1.216 1.00 44.40 C ATOM 0 H LEU A 422 8.710 0.789 -2.227 1.00 34.22 H new ATOM 0 HA LEU A 422 8.602 3.679 -1.906 1.00 44.24 H new ATOM 0 HB2 LEU A 422 9.057 2.340 0.063 1.00 52.22 H new ATOM 0 HB3 LEU A 422 10.356 1.485 -0.746 1.00 52.22 H new ATOM 0 HG LEU A 422 11.638 3.520 -0.894 1.00 35.00 H new ATOM 0 HD11 LEU A 422 11.070 5.543 0.521 1.00 71.11 H new ATOM 0 HD12 LEU A 422 9.920 5.284 -0.812 1.00 71.11 H new ATOM 0 HD13 LEU A 422 9.477 4.819 0.848 1.00 71.11 H new ATOM 0 HD21 LEU A 422 12.219 3.811 1.550 1.00 44.40 H new ATOM 0 HD22 LEU A 422 10.735 2.922 1.967 1.00 44.40 H new ATOM 0 HD23 LEU A 422 12.041 2.105 1.077 1.00 44.40 H new ATOM 445 N GLN A 423 10.657 2.043 -3.913 1.00 50.01 N ATOM 446 CA GLN A 423 11.600 2.137 -5.087 1.00 2.02 C ATOM 447 C GLN A 423 10.885 2.375 -6.442 1.00 23.43 C ATOM 448 O GLN A 423 11.247 3.307 -7.155 1.00 11.24 O ATOM 449 CB GLN A 423 12.477 0.847 -5.285 1.00 22.01 C ATOM 450 CG GLN A 423 13.476 0.471 -4.183 1.00 75.52 C ATOM 451 CD GLN A 423 13.527 -1.047 -3.879 1.00 12.41 C ATOM 452 OE1 GLN A 423 14.588 -1.548 -3.504 1.00 51.21 O ATOM 453 NE2 GLN A 423 12.418 -1.822 -4.028 1.00 63.50 N ATOM 0 H GLN A 423 10.365 1.088 -3.707 1.00 50.01 H new ATOM 0 HA GLN A 423 12.221 2.994 -4.826 1.00 2.02 H new ATOM 0 HB2 GLN A 423 11.801 0.003 -5.423 1.00 22.01 H new ATOM 0 HB3 GLN A 423 13.035 0.964 -6.214 1.00 22.01 H new ATOM 0 HG2 GLN A 423 14.470 0.807 -4.477 1.00 75.52 H new ATOM 0 HG3 GLN A 423 13.215 1.007 -3.270 1.00 75.52 H new ATOM 0 HE21 GLN A 423 11.541 -1.403 -4.339 1.00 63.50 H new ATOM 0 HE22 GLN A 423 12.464 -2.821 -3.829 1.00 63.50 H new ATOM 462 N MET A 424 9.930 1.487 -6.826 1.00 31.24 N ATOM 463 CA MET A 424 9.277 1.539 -8.194 1.00 4.42 C ATOM 464 C MET A 424 8.504 2.892 -8.441 1.00 63.53 C ATOM 465 O MET A 424 8.268 3.254 -9.593 1.00 70.23 O ATOM 466 CB MET A 424 8.356 0.253 -8.503 1.00 51.22 C ATOM 467 CG MET A 424 7.951 -0.035 -9.997 1.00 43.41 C ATOM 468 SD MET A 424 9.298 -0.784 -10.919 1.00 5.24 S ATOM 469 CE MET A 424 9.376 -2.406 -10.146 1.00 15.15 C ATOM 0 H MET A 424 9.589 0.733 -6.230 1.00 31.24 H new ATOM 0 HA MET A 424 10.096 1.506 -8.913 1.00 4.42 H new ATOM 0 HB2 MET A 424 8.876 -0.627 -8.124 1.00 51.22 H new ATOM 0 HB3 MET A 424 7.438 0.355 -7.924 1.00 51.22 H new ATOM 0 HG2 MET A 424 7.084 -0.696 -10.018 1.00 43.41 H new ATOM 0 HG3 MET A 424 7.654 0.896 -10.479 1.00 43.41 H new ATOM 0 HE1 MET A 424 9.811 -3.121 -10.844 1.00 15.15 H new ATOM 0 HE2 MET A 424 9.993 -2.352 -9.249 1.00 15.15 H new ATOM 0 HE3 MET A 424 8.371 -2.729 -9.876 1.00 15.15 H new ATOM 479 N PHE A 425 8.130 3.655 -7.367 1.00 35.40 N ATOM 480 CA PHE A 425 7.430 4.941 -7.524 1.00 74.34 C ATOM 481 C PHE A 425 8.380 6.147 -7.210 1.00 61.12 C ATOM 482 O PHE A 425 7.979 7.302 -7.319 1.00 2.44 O ATOM 483 CB PHE A 425 6.147 4.859 -6.655 1.00 1.42 C ATOM 484 CG PHE A 425 4.821 4.744 -7.423 1.00 20.11 C ATOM 485 CD1 PHE A 425 4.378 3.490 -7.851 1.00 60.32 C ATOM 486 CD2 PHE A 425 4.011 5.861 -7.733 1.00 12.24 C ATOM 487 CE1 PHE A 425 3.191 3.335 -8.544 1.00 0.44 C ATOM 488 CE2 PHE A 425 2.839 5.690 -8.426 1.00 65.00 C ATOM 489 CZ PHE A 425 2.425 4.438 -8.831 1.00 54.23 C ATOM 0 H PHE A 425 8.307 3.392 -6.398 1.00 35.40 H new ATOM 0 HA PHE A 425 7.127 5.127 -8.554 1.00 74.34 H new ATOM 0 HB2 PHE A 425 6.236 3.999 -5.991 1.00 1.42 H new ATOM 0 HB3 PHE A 425 6.103 5.746 -6.023 1.00 1.42 H new ATOM 0 HD1 PHE A 425 4.978 2.619 -7.635 1.00 60.32 H new ATOM 0 HD2 PHE A 425 4.315 6.850 -7.424 1.00 12.24 H new ATOM 0 HE1 PHE A 425 2.869 2.353 -8.857 1.00 0.44 H new ATOM 0 HE2 PHE A 425 2.230 6.551 -8.658 1.00 65.00 H new ATOM 0 HZ PHE A 425 1.498 4.325 -9.374 1.00 54.23 H new ATOM 499 N MET A 426 9.649 5.843 -6.830 1.00 43.51 N ATOM 500 CA MET A 426 10.630 6.832 -6.300 1.00 71.22 C ATOM 501 C MET A 426 11.120 7.941 -7.285 1.00 63.52 C ATOM 502 O MET A 426 11.187 9.091 -6.847 1.00 3.45 O ATOM 503 CB MET A 426 11.905 6.160 -5.768 1.00 20.15 C ATOM 504 CG MET A 426 12.409 6.818 -4.502 1.00 62.32 C ATOM 505 SD MET A 426 14.123 6.424 -4.062 1.00 32.40 S ATOM 506 CE MET A 426 14.059 4.673 -3.693 1.00 53.41 C ATOM 0 H MET A 426 10.025 4.896 -6.883 1.00 43.51 H new ATOM 0 HA MET A 426 10.038 7.309 -5.519 1.00 71.22 H new ATOM 0 HB2 MET A 426 11.705 5.106 -5.574 1.00 20.15 H new ATOM 0 HB3 MET A 426 12.682 6.201 -6.532 1.00 20.15 H new ATOM 0 HG2 MET A 426 12.317 7.899 -4.611 1.00 62.32 H new ATOM 0 HG3 MET A 426 11.761 6.525 -3.676 1.00 62.32 H new ATOM 0 HE1 MET A 426 14.872 4.414 -3.015 1.00 53.41 H new ATOM 0 HE2 MET A 426 13.105 4.435 -3.223 1.00 53.41 H new ATOM 0 HE3 MET A 426 14.161 4.103 -4.616 1.00 53.41 H new ATOM 516 N PRO A 427 11.574 7.626 -8.581 1.00 4.12 N ATOM 517 CA PRO A 427 12.219 8.605 -9.543 1.00 12.31 C ATOM 518 C PRO A 427 11.432 9.927 -9.887 1.00 33.11 C ATOM 519 O PRO A 427 11.889 10.697 -10.721 1.00 34.44 O ATOM 520 CB PRO A 427 12.466 7.706 -10.799 1.00 25.11 C ATOM 521 CG PRO A 427 11.443 6.654 -10.664 1.00 44.10 C ATOM 522 CD PRO A 427 11.594 6.282 -9.241 1.00 13.53 C ATOM 0 HA PRO A 427 13.108 9.048 -9.094 1.00 12.31 H new ATOM 0 HB2 PRO A 427 12.347 8.267 -11.726 1.00 25.11 H new ATOM 0 HB3 PRO A 427 13.473 7.290 -10.805 1.00 25.11 H new ATOM 0 HG2 PRO A 427 10.442 7.023 -10.888 1.00 44.10 H new ATOM 0 HG3 PRO A 427 11.629 5.812 -11.331 1.00 44.10 H new ATOM 0 HD2 PRO A 427 10.782 5.642 -8.895 1.00 13.53 H new ATOM 0 HD3 PRO A 427 12.524 5.746 -9.053 1.00 13.53 H new ATOM 530 N PHE A 428 10.268 10.186 -9.256 1.00 40.42 N ATOM 531 CA PHE A 428 9.553 11.493 -9.383 1.00 43.43 C ATOM 532 C PHE A 428 9.545 12.365 -8.066 1.00 13.22 C ATOM 533 O PHE A 428 8.741 13.297 -7.972 1.00 13.25 O ATOM 534 CB PHE A 428 8.092 11.366 -9.944 1.00 62.43 C ATOM 535 CG PHE A 428 7.702 10.089 -10.729 1.00 61.45 C ATOM 536 CD1 PHE A 428 7.973 9.973 -12.096 1.00 51.55 C ATOM 537 CD2 PHE A 428 6.981 9.054 -10.129 1.00 22.50 C ATOM 538 CE1 PHE A 428 7.538 8.864 -12.820 1.00 75.34 C ATOM 539 CE2 PHE A 428 6.561 7.939 -10.855 1.00 61.13 C ATOM 540 CZ PHE A 428 6.839 7.855 -12.195 1.00 71.43 C ATOM 0 H PHE A 428 9.796 9.514 -8.651 1.00 40.42 H new ATOM 0 HA PHE A 428 10.155 12.023 -10.121 1.00 43.43 H new ATOM 0 HB2 PHE A 428 7.406 11.458 -9.102 1.00 62.43 H new ATOM 0 HB3 PHE A 428 7.913 12.221 -10.596 1.00 62.43 H new ATOM 0 HD1 PHE A 428 8.527 10.753 -12.597 1.00 51.55 H new ATOM 0 HD2 PHE A 428 6.743 9.118 -9.078 1.00 22.50 H new ATOM 0 HE1 PHE A 428 7.750 8.796 -13.877 1.00 75.34 H new ATOM 0 HE2 PHE A 428 6.019 7.145 -10.363 1.00 61.13 H new ATOM 0 HZ PHE A 428 6.509 6.996 -12.761 1.00 71.43 H new ATOM 550 N GLY A 429 10.443 12.113 -7.080 1.00 63.13 N ATOM 551 CA GLY A 429 10.664 13.061 -5.970 1.00 42.41 C ATOM 552 C GLY A 429 10.219 12.567 -4.565 1.00 32.02 C ATOM 553 O GLY A 429 10.059 11.358 -4.374 1.00 10.12 O ATOM 0 H GLY A 429 11.017 11.271 -7.035 1.00 63.13 H new ATOM 0 HA2 GLY A 429 11.726 13.305 -5.930 1.00 42.41 H new ATOM 0 HA3 GLY A 429 10.133 13.986 -6.195 1.00 42.41 H new ATOM 557 N ASN A 430 10.001 13.486 -3.575 1.00 33.11 N ATOM 558 CA ASN A 430 10.052 13.106 -2.134 1.00 22.43 C ATOM 559 C ASN A 430 8.689 12.540 -1.586 1.00 10.31 C ATOM 560 O ASN A 430 7.636 13.173 -1.710 1.00 74.55 O ATOM 561 CB ASN A 430 10.600 14.275 -1.240 1.00 62.12 C ATOM 562 CG ASN A 430 9.710 15.500 -1.098 1.00 3.41 C ATOM 563 OD1 ASN A 430 8.995 15.895 -2.029 1.00 21.30 O ATOM 564 ND2 ASN A 430 9.757 16.112 0.083 1.00 61.42 N ATOM 0 H ASN A 430 9.794 14.470 -3.745 1.00 33.11 H new ATOM 0 HA ASN A 430 10.762 12.282 -2.071 1.00 22.43 H new ATOM 0 HB2 ASN A 430 10.795 13.879 -0.244 1.00 62.12 H new ATOM 0 HB3 ASN A 430 11.558 14.596 -1.649 1.00 62.12 H new ATOM 0 HD21 ASN A 430 9.189 16.942 0.250 1.00 61.42 H new ATOM 0 HD22 ASN A 430 10.361 15.750 0.821 1.00 61.42 H new ATOM 571 N VAL A 431 8.729 11.302 -1.032 1.00 71.31 N ATOM 572 CA VAL A 431 7.515 10.534 -0.648 1.00 61.33 C ATOM 573 C VAL A 431 7.358 10.326 0.917 1.00 31.32 C ATOM 574 O VAL A 431 8.346 9.993 1.571 1.00 70.31 O ATOM 575 CB VAL A 431 7.542 9.211 -1.504 1.00 43.34 C ATOM 576 CG1 VAL A 431 8.869 8.499 -1.447 1.00 70.34 C ATOM 577 CG2 VAL A 431 6.465 8.193 -1.185 1.00 42.50 C ATOM 0 H VAL A 431 9.600 10.808 -0.839 1.00 71.31 H new ATOM 0 HA VAL A 431 6.608 11.094 -0.876 1.00 61.33 H new ATOM 0 HB VAL A 431 7.349 9.596 -2.505 1.00 43.34 H new ATOM 0 HG11 VAL A 431 8.824 7.596 -2.056 1.00 70.34 H new ATOM 0 HG12 VAL A 431 9.651 9.156 -1.829 1.00 70.34 H new ATOM 0 HG13 VAL A 431 9.093 8.229 -0.415 1.00 70.34 H new ATOM 0 HG21 VAL A 431 6.581 7.325 -1.834 1.00 42.50 H new ATOM 0 HG22 VAL A 431 6.555 7.882 -0.144 1.00 42.50 H new ATOM 0 HG23 VAL A 431 5.484 8.639 -1.347 1.00 42.50 H new ATOM 587 N ILE A 432 6.123 10.541 1.525 1.00 3.54 N ATOM 588 CA ILE A 432 5.937 10.478 3.021 1.00 34.44 C ATOM 589 C ILE A 432 5.153 9.189 3.563 1.00 12.42 C ATOM 590 O ILE A 432 5.294 8.850 4.730 1.00 21.14 O ATOM 591 CB ILE A 432 5.216 11.775 3.643 1.00 53.20 C ATOM 592 CG1 ILE A 432 5.246 13.025 2.720 1.00 0.11 C ATOM 593 CG2 ILE A 432 5.848 12.194 4.966 1.00 21.35 C ATOM 594 CD1 ILE A 432 4.673 14.336 3.315 1.00 35.40 C ATOM 0 H ILE A 432 5.269 10.753 1.008 1.00 3.54 H new ATOM 0 HA ILE A 432 6.971 10.422 3.360 1.00 34.44 H new ATOM 0 HB ILE A 432 4.182 11.455 3.775 1.00 53.20 H new ATOM 0 HG12 ILE A 432 6.279 13.207 2.425 1.00 0.11 H new ATOM 0 HG13 ILE A 432 4.692 12.792 1.811 1.00 0.11 H new ATOM 0 HG21 ILE A 432 5.333 13.073 5.353 1.00 21.35 H new ATOM 0 HG22 ILE A 432 5.763 11.378 5.684 1.00 21.35 H new ATOM 0 HG23 ILE A 432 6.900 12.431 4.808 1.00 21.35 H new ATOM 0 HD11 ILE A 432 4.750 15.134 2.577 1.00 35.40 H new ATOM 0 HD12 ILE A 432 3.627 14.188 3.582 1.00 35.40 H new ATOM 0 HD13 ILE A 432 5.239 14.609 4.205 1.00 35.40 H new ATOM 606 N SER A 433 4.335 8.475 2.752 1.00 71.02 N ATOM 607 CA SER A 433 3.495 7.330 3.231 1.00 22.42 C ATOM 608 C SER A 433 3.648 6.069 2.328 1.00 5.32 C ATOM 609 O SER A 433 3.501 6.157 1.111 1.00 40.51 O ATOM 610 CB SER A 433 2.009 7.834 3.225 1.00 41.20 C ATOM 611 OG SER A 433 1.863 9.016 3.990 1.00 72.23 O ATOM 0 H SER A 433 4.233 8.667 1.755 1.00 71.02 H new ATOM 0 HA SER A 433 3.813 7.025 4.228 1.00 22.42 H new ATOM 0 HB2 SER A 433 1.690 8.021 2.199 1.00 41.20 H new ATOM 0 HB3 SER A 433 1.358 7.057 3.625 1.00 41.20 H new ATOM 0 HG SER A 433 0.928 9.307 3.967 1.00 72.23 H new ATOM 617 N ALA A 434 3.971 4.898 2.974 1.00 34.20 N ATOM 618 CA ALA A 434 3.940 3.537 2.316 1.00 42.31 C ATOM 619 C ALA A 434 3.419 2.405 3.298 1.00 61.21 C ATOM 620 O ALA A 434 4.050 2.192 4.333 1.00 42.30 O ATOM 621 CB ALA A 434 5.321 3.144 1.739 1.00 2.50 C ATOM 0 H ALA A 434 4.257 4.868 3.953 1.00 34.20 H new ATOM 0 HA ALA A 434 3.232 3.619 1.491 1.00 42.31 H new ATOM 0 HB1 ALA A 434 5.255 2.160 1.275 1.00 2.50 H new ATOM 0 HB2 ALA A 434 5.625 3.877 0.992 1.00 2.50 H new ATOM 0 HB3 ALA A 434 6.057 3.118 2.543 1.00 2.50 H new ATOM 627 N LYS A 435 2.257 1.706 3.002 1.00 11.23 N ATOM 628 CA LYS A 435 1.789 0.509 3.776 1.00 41.43 C ATOM 629 C LYS A 435 0.871 -0.399 2.859 1.00 64.02 C ATOM 630 O LYS A 435 0.066 0.149 2.094 1.00 1.43 O ATOM 631 CB LYS A 435 1.085 0.906 5.152 1.00 73.31 C ATOM 632 CG LYS A 435 -0.180 1.771 5.156 1.00 60.54 C ATOM 633 CD LYS A 435 -1.433 0.968 4.817 1.00 24.42 C ATOM 634 CE LYS A 435 -2.749 1.706 5.015 1.00 71.23 C ATOM 635 NZ LYS A 435 -2.747 2.638 6.177 1.00 11.21 N ATOM 0 H LYS A 435 1.637 1.960 2.233 1.00 11.23 H new ATOM 0 HA LYS A 435 2.664 -0.075 4.063 1.00 41.43 H new ATOM 0 HB2 LYS A 435 0.842 -0.022 5.669 1.00 73.31 H new ATOM 0 HB3 LYS A 435 1.830 1.422 5.758 1.00 73.31 H new ATOM 0 HG2 LYS A 435 -0.300 2.230 6.137 1.00 60.54 H new ATOM 0 HG3 LYS A 435 -0.065 2.582 4.437 1.00 60.54 H new ATOM 0 HD2 LYS A 435 -1.368 0.646 3.778 1.00 24.42 H new ATOM 0 HD3 LYS A 435 -1.444 0.067 5.430 1.00 24.42 H new ATOM 0 HE2 LYS A 435 -2.979 2.269 4.110 1.00 71.23 H new ATOM 0 HE3 LYS A 435 -3.548 0.976 5.148 1.00 71.23 H new ATOM 0 HZ1 LYS A 435 -3.726 2.828 6.471 1.00 11.21 H new ATOM 0 HZ2 LYS A 435 -2.226 2.207 6.967 1.00 11.21 H new ATOM 0 HZ3 LYS A 435 -2.287 3.530 5.905 1.00 11.21 H new ATOM 649 N VAL A 436 1.004 -1.767 2.861 1.00 34.43 N ATOM 650 CA VAL A 436 -0.115 -2.638 2.330 1.00 61.40 C ATOM 651 C VAL A 436 -0.878 -3.258 3.573 1.00 2.15 C ATOM 652 O VAL A 436 -0.593 -4.355 4.052 1.00 42.40 O ATOM 653 CB VAL A 436 0.454 -3.748 1.279 1.00 42.24 C ATOM 654 CG1 VAL A 436 -0.425 -4.994 1.047 1.00 13.34 C ATOM 655 CG2 VAL A 436 0.776 -3.213 -0.144 1.00 32.45 C ATOM 0 H VAL A 436 1.822 -2.272 3.202 1.00 34.43 H new ATOM 0 HA VAL A 436 -0.830 -2.053 1.752 1.00 61.40 H new ATOM 0 HB VAL A 436 1.361 -4.025 1.817 1.00 42.24 H new ATOM 0 HG11 VAL A 436 0.062 -5.654 0.329 1.00 13.34 H new ATOM 0 HG12 VAL A 436 -0.563 -5.522 1.990 1.00 13.34 H new ATOM 0 HG13 VAL A 436 -1.396 -4.687 0.657 1.00 13.34 H new ATOM 0 HG21 VAL A 436 1.147 -4.029 -0.764 1.00 32.45 H new ATOM 0 HG22 VAL A 436 -0.128 -2.800 -0.591 1.00 32.45 H new ATOM 0 HG23 VAL A 436 1.535 -2.434 -0.077 1.00 32.45 H new ATOM 665 N PHE A 437 -1.768 -2.414 4.167 1.00 63.34 N ATOM 666 CA PHE A 437 -2.941 -2.772 5.020 1.00 73.02 C ATOM 667 C PHE A 437 -4.243 -2.194 4.434 1.00 35.33 C ATOM 668 O PHE A 437 -4.195 -1.222 3.680 1.00 52.44 O ATOM 669 CB PHE A 437 -2.816 -2.301 6.489 1.00 5.41 C ATOM 670 CG PHE A 437 -2.329 -3.351 7.479 1.00 53.23 C ATOM 671 CD1 PHE A 437 -3.203 -4.257 8.090 1.00 53.44 C ATOM 672 CD2 PHE A 437 -0.989 -3.406 7.829 1.00 40.44 C ATOM 673 CE1 PHE A 437 -2.738 -5.185 9.013 1.00 21.34 C ATOM 674 CE2 PHE A 437 -0.524 -4.334 8.745 1.00 63.10 C ATOM 675 CZ PHE A 437 -1.400 -5.222 9.333 1.00 33.42 C ATOM 0 H PHE A 437 -1.681 -1.404 4.057 1.00 63.34 H new ATOM 0 HA PHE A 437 -2.966 -3.862 5.023 1.00 73.02 H new ATOM 0 HB2 PHE A 437 -2.133 -1.452 6.522 1.00 5.41 H new ATOM 0 HB3 PHE A 437 -3.790 -1.940 6.820 1.00 5.41 H new ATOM 0 HD1 PHE A 437 -4.254 -4.234 7.840 1.00 53.44 H new ATOM 0 HD2 PHE A 437 -0.295 -2.712 7.379 1.00 40.44 H new ATOM 0 HE1 PHE A 437 -3.425 -5.876 9.479 1.00 21.34 H new ATOM 0 HE2 PHE A 437 0.525 -4.363 8.999 1.00 63.10 H new ATOM 0 HZ PHE A 437 -1.036 -5.947 10.045 1.00 33.42 H new ATOM 866 N GLY A 449 -3.055 -0.638 -2.010 1.00 33.21 N ATOM 867 CA GLY A 449 -1.967 0.234 -1.416 1.00 65.50 C ATOM 868 C GLY A 449 -1.985 1.716 -1.652 1.00 5.01 C ATOM 869 O GLY A 449 -2.524 2.239 -2.627 1.00 73.21 O ATOM 0 HA2 GLY A 449 -1.977 0.077 -0.337 1.00 65.50 H new ATOM 0 HA3 GLY A 449 -1.012 -0.142 -1.784 1.00 65.50 H new ATOM 873 N PHE A 450 -1.374 2.381 -0.643 1.00 31.33 N ATOM 874 CA PHE A 450 -1.516 3.835 -0.431 1.00 33.12 C ATOM 875 C PHE A 450 -0.153 4.600 -0.685 1.00 43.42 C ATOM 876 O PHE A 450 0.801 4.349 0.060 1.00 32.32 O ATOM 877 CB PHE A 450 -2.019 4.024 1.051 1.00 60.04 C ATOM 878 CG PHE A 450 -3.399 3.494 1.370 1.00 30.53 C ATOM 879 CD1 PHE A 450 -3.672 2.142 1.364 1.00 1.44 C ATOM 880 CD2 PHE A 450 -4.405 4.356 1.716 1.00 11.23 C ATOM 881 CE1 PHE A 450 -4.895 1.658 1.678 1.00 41.42 C ATOM 882 CE2 PHE A 450 -5.652 3.887 2.029 1.00 55.32 C ATOM 883 CZ PHE A 450 -5.889 2.527 2.009 1.00 42.14 C ATOM 0 H PHE A 450 -0.772 1.924 0.042 1.00 31.33 H new ATOM 0 HA PHE A 450 -2.227 4.260 -1.140 1.00 33.12 H new ATOM 0 HB2 PHE A 450 -1.305 3.539 1.717 1.00 60.04 H new ATOM 0 HB3 PHE A 450 -2.001 5.089 1.284 1.00 60.04 H new ATOM 0 HD1 PHE A 450 -2.886 1.450 1.101 1.00 1.44 H new ATOM 0 HD2 PHE A 450 -4.212 5.418 1.742 1.00 11.23 H new ATOM 0 HE1 PHE A 450 -5.081 0.594 1.666 1.00 41.42 H new ATOM 0 HE2 PHE A 450 -6.443 4.574 2.289 1.00 55.32 H new ATOM 0 HZ PHE A 450 -6.870 2.150 2.258 1.00 42.14 H new ATOM 893 N VAL A 451 -0.022 5.527 -1.735 1.00 22.41 N ATOM 894 CA VAL A 451 1.207 6.362 -1.868 1.00 55.01 C ATOM 895 C VAL A 451 0.846 7.893 -1.959 1.00 23.33 C ATOM 896 O VAL A 451 -0.098 8.256 -2.664 1.00 72.40 O ATOM 897 CB VAL A 451 2.112 5.996 -3.099 1.00 10.21 C ATOM 898 CG1 VAL A 451 3.345 5.271 -2.650 1.00 21.40 C ATOM 899 CG2 VAL A 451 1.423 5.194 -4.173 1.00 73.34 C ATOM 0 H VAL A 451 -0.729 5.689 -2.452 1.00 22.41 H new ATOM 0 HA VAL A 451 1.779 6.147 -0.966 1.00 55.01 H new ATOM 0 HB VAL A 451 2.370 6.953 -3.552 1.00 10.21 H new ATOM 0 HG11 VAL A 451 3.959 5.026 -3.517 1.00 21.40 H new ATOM 0 HG12 VAL A 451 3.913 5.906 -1.970 1.00 21.40 H new ATOM 0 HG13 VAL A 451 3.060 4.353 -2.136 1.00 21.40 H new ATOM 0 HG21 VAL A 451 2.125 4.989 -4.981 1.00 73.34 H new ATOM 0 HG22 VAL A 451 1.068 4.253 -3.753 1.00 73.34 H new ATOM 0 HG23 VAL A 451 0.576 5.759 -4.563 1.00 73.34 H new ATOM 909 N SER A 452 1.592 8.799 -1.254 1.00 35.43 N ATOM 910 CA SER A 452 1.222 10.217 -1.114 1.00 72.34 C ATOM 911 C SER A 452 2.550 11.160 -1.215 1.00 44.31 C ATOM 912 O SER A 452 3.548 10.827 -0.559 1.00 21.34 O ATOM 913 CB SER A 452 0.432 10.301 0.257 1.00 52.21 C ATOM 914 OG SER A 452 0.414 9.047 0.918 1.00 41.12 O ATOM 0 H SER A 452 2.459 8.554 -0.775 1.00 35.43 H new ATOM 0 HA SER A 452 0.583 10.592 -1.913 1.00 72.34 H new ATOM 0 HB2 SER A 452 0.896 11.048 0.901 1.00 52.21 H new ATOM 0 HB3 SER A 452 -0.590 10.631 0.071 1.00 52.21 H new ATOM 0 HG SER A 452 0.036 9.156 1.815 1.00 41.12 H new ATOM 920 N TYR A 453 2.582 12.311 -2.043 1.00 53.33 N ATOM 921 CA TYR A 453 3.836 13.203 -2.250 1.00 44.23 C ATOM 922 C TYR A 453 3.719 14.632 -1.559 1.00 52.02 C ATOM 923 O TYR A 453 2.668 14.938 -0.998 1.00 43.33 O ATOM 924 CB TYR A 453 4.046 13.497 -3.775 1.00 70.44 C ATOM 925 CG TYR A 453 4.527 12.380 -4.708 1.00 53.21 C ATOM 926 CD1 TYR A 453 5.838 11.857 -4.727 1.00 74.25 C ATOM 927 CD2 TYR A 453 3.621 11.851 -5.599 1.00 70.22 C ATOM 928 CE1 TYR A 453 6.172 10.842 -5.621 1.00 73.41 C ATOM 929 CE2 TYR A 453 3.942 10.853 -6.466 1.00 42.24 C ATOM 930 CZ TYR A 453 5.213 10.344 -6.481 1.00 72.21 C ATOM 931 OH TYR A 453 5.522 9.332 -7.351 1.00 24.10 O ATOM 0 H TYR A 453 1.768 12.634 -2.566 1.00 53.33 H new ATOM 0 HA TYR A 453 4.657 12.641 -1.804 1.00 44.23 H new ATOM 0 HB2 TYR A 453 3.098 13.864 -4.169 1.00 70.44 H new ATOM 0 HB3 TYR A 453 4.761 14.316 -3.853 1.00 70.44 H new ATOM 0 HD1 TYR A 453 6.583 12.244 -4.048 1.00 74.25 H new ATOM 0 HD2 TYR A 453 2.615 12.244 -5.610 1.00 70.22 H new ATOM 0 HE1 TYR A 453 7.177 10.446 -5.641 1.00 73.41 H new ATOM 0 HE2 TYR A 453 3.195 10.463 -7.142 1.00 42.24 H new ATOM 0 HH TYR A 453 6.348 8.892 -7.061 1.00 24.10 H new ATOM 941 N ASP A 454 4.821 15.511 -1.590 1.00 43.25 N ATOM 942 CA ASP A 454 4.791 16.878 -0.961 1.00 51.14 C ATOM 943 C ASP A 454 4.103 18.012 -1.773 1.00 44.53 C ATOM 944 O ASP A 454 3.547 18.912 -1.142 1.00 33.54 O ATOM 945 CB ASP A 454 6.230 17.409 -0.640 1.00 54.31 C ATOM 946 CG ASP A 454 6.677 17.210 0.793 1.00 54.42 C ATOM 947 OD1 ASP A 454 5.998 16.514 1.546 1.00 34.35 O ATOM 948 OD2 ASP A 454 7.712 17.809 1.172 1.00 64.05 O ATOM 0 H ASP A 454 5.708 15.282 -2.038 1.00 43.25 H new ATOM 0 HA ASP A 454 4.191 16.685 -0.072 1.00 51.14 H new ATOM 0 HB2 ASP A 454 6.941 16.911 -1.300 1.00 54.31 H new ATOM 0 HB3 ASP A 454 6.270 18.473 -0.873 1.00 54.31 H new ATOM 953 N ASN A 455 4.092 18.015 -3.142 1.00 70.12 N ATOM 954 CA ASN A 455 3.652 19.243 -3.864 1.00 34.52 C ATOM 955 C ASN A 455 2.933 18.959 -5.232 1.00 70.12 C ATOM 956 O ASN A 455 3.479 18.201 -6.032 1.00 1.30 O ATOM 957 CB ASN A 455 4.818 20.283 -4.021 1.00 41.33 C ATOM 958 CG ASN A 455 6.215 19.875 -3.515 1.00 13.32 C ATOM 959 OD1 ASN A 455 6.607 20.268 -2.419 1.00 41.12 O ATOM 960 ND2 ASN A 455 6.963 19.081 -4.268 1.00 13.15 N ATOM 0 H ASN A 455 4.365 17.231 -3.734 1.00 70.12 H new ATOM 0 HA ASN A 455 2.891 19.692 -3.226 1.00 34.52 H new ATOM 0 HB2 ASN A 455 4.904 20.533 -5.078 1.00 41.33 H new ATOM 0 HB3 ASN A 455 4.526 21.195 -3.501 1.00 41.33 H new ATOM 0 HD21 ASN A 455 7.883 18.785 -3.940 1.00 13.15 H new ATOM 0 HD22 ASN A 455 6.619 18.766 -5.175 1.00 13.15 H new ATOM 967 N PRO A 456 1.664 19.545 -5.505 1.00 53.40 N ATOM 968 CA PRO A 456 0.762 19.172 -6.655 1.00 22.20 C ATOM 969 C PRO A 456 1.321 19.051 -8.153 1.00 24.44 C ATOM 970 O PRO A 456 0.589 18.548 -9.009 1.00 42.42 O ATOM 971 CB PRO A 456 -0.432 20.194 -6.540 1.00 23.20 C ATOM 972 CG PRO A 456 -0.058 21.185 -5.522 1.00 24.25 C ATOM 973 CD PRO A 456 0.871 20.446 -4.613 1.00 11.31 C ATOM 0 HA PRO A 456 0.519 18.117 -6.528 1.00 22.20 H new ATOM 0 HB2 PRO A 456 -0.618 20.678 -7.499 1.00 23.20 H new ATOM 0 HB3 PRO A 456 -1.352 19.681 -6.258 1.00 23.20 H new ATOM 0 HG2 PRO A 456 0.429 22.051 -5.970 1.00 24.25 H new ATOM 0 HG3 PRO A 456 -0.932 21.553 -4.984 1.00 24.25 H new ATOM 0 HD2 PRO A 456 1.520 21.134 -4.071 1.00 11.31 H new ATOM 0 HD3 PRO A 456 0.319 19.874 -3.867 1.00 11.31 H new ATOM 981 N VAL A 457 2.581 19.480 -8.477 1.00 72.41 N ATOM 982 CA VAL A 457 3.202 19.249 -9.856 1.00 14.33 C ATOM 983 C VAL A 457 3.608 17.721 -10.057 1.00 11.20 C ATOM 984 O VAL A 457 3.412 17.177 -11.146 1.00 24.41 O ATOM 985 CB VAL A 457 4.448 20.223 -10.210 1.00 41.53 C ATOM 986 CG1 VAL A 457 5.015 19.982 -11.626 1.00 11.33 C ATOM 987 CG2 VAL A 457 4.106 21.731 -10.164 1.00 70.31 C ATOM 0 H VAL A 457 3.189 19.979 -7.828 1.00 72.41 H new ATOM 0 HA VAL A 457 2.416 19.512 -10.564 1.00 14.33 H new ATOM 0 HB VAL A 457 5.171 19.970 -9.434 1.00 41.53 H new ATOM 0 HG11 VAL A 457 5.847 20.663 -11.806 1.00 11.33 H new ATOM 0 HG12 VAL A 457 5.365 18.953 -11.708 1.00 11.33 H new ATOM 0 HG13 VAL A 457 4.234 20.160 -12.366 1.00 11.33 H new ATOM 0 HG21 VAL A 457 4.993 22.313 -10.413 1.00 70.31 H new ATOM 0 HG22 VAL A 457 3.317 21.947 -10.884 1.00 70.31 H new ATOM 0 HG23 VAL A 457 3.767 21.997 -9.163 1.00 70.31 H new ATOM 997 N SER A 458 4.093 17.009 -8.989 1.00 23.24 N ATOM 998 CA SER A 458 4.563 15.577 -9.101 1.00 73.24 C ATOM 999 C SER A 458 3.408 14.517 -9.262 1.00 73.12 C ATOM 1000 O SER A 458 3.677 13.394 -9.702 1.00 13.42 O ATOM 1001 CB SER A 458 5.514 15.198 -7.919 1.00 42.02 C ATOM 1002 OG SER A 458 5.050 15.717 -6.686 1.00 33.13 O ATOM 0 H SER A 458 4.170 17.395 -8.048 1.00 23.24 H new ATOM 0 HA SER A 458 5.122 15.535 -10.036 1.00 73.24 H new ATOM 0 HB2 SER A 458 5.594 14.113 -7.850 1.00 42.02 H new ATOM 0 HB3 SER A 458 6.515 15.579 -8.121 1.00 42.02 H new ATOM 0 HG SER A 458 5.667 15.460 -5.970 1.00 33.13 H new ATOM 1008 N ALA A 459 2.126 14.871 -8.943 1.00 74.21 N ATOM 1009 CA ALA A 459 0.968 13.937 -9.138 1.00 4.02 C ATOM 1010 C ALA A 459 0.566 13.820 -10.637 1.00 22.41 C ATOM 1011 O ALA A 459 0.067 12.775 -11.057 1.00 63.21 O ATOM 1012 CB ALA A 459 -0.252 14.265 -8.257 1.00 23.42 C ATOM 0 H ALA A 459 1.869 15.779 -8.556 1.00 74.21 H new ATOM 0 HA ALA A 459 1.325 12.963 -8.803 1.00 4.02 H new ATOM 0 HB1 ALA A 459 -1.047 13.546 -8.455 1.00 23.42 H new ATOM 0 HB2 ALA A 459 0.033 14.211 -7.206 1.00 23.42 H new ATOM 0 HB3 ALA A 459 -0.606 15.270 -8.486 1.00 23.42 H new ATOM 1018 N GLN A 460 0.826 14.889 -11.440 1.00 72.53 N ATOM 1019 CA GLN A 460 0.536 14.916 -12.905 1.00 43.42 C ATOM 1020 C GLN A 460 1.457 13.955 -13.704 1.00 73.33 C ATOM 1021 O GLN A 460 0.974 13.284 -14.626 1.00 2.31 O ATOM 1022 CB GLN A 460 0.613 16.370 -13.491 1.00 25.32 C ATOM 1023 CG GLN A 460 -0.427 17.389 -12.935 1.00 0.23 C ATOM 1024 CD GLN A 460 0.066 18.801 -12.979 1.00 33.12 C ATOM 1025 OE1 GLN A 460 0.982 19.154 -13.716 1.00 73.32 O ATOM 1026 NE2 GLN A 460 -0.632 19.636 -12.251 1.00 51.24 N ATOM 0 H GLN A 460 1.241 15.754 -11.093 1.00 72.53 H new ATOM 0 HA GLN A 460 -0.489 14.562 -13.019 1.00 43.42 H new ATOM 0 HB2 GLN A 460 1.612 16.763 -13.304 1.00 25.32 H new ATOM 0 HB3 GLN A 460 0.491 16.311 -14.573 1.00 25.32 H new ATOM 0 HG2 GLN A 460 -1.349 17.312 -13.512 1.00 0.23 H new ATOM 0 HG3 GLN A 460 -0.672 17.126 -11.906 1.00 0.23 H new ATOM 0 HE21 GLN A 460 -1.383 19.288 -11.655 1.00 51.24 H new ATOM 0 HE22 GLN A 460 -0.424 20.634 -12.280 1.00 51.24 H new ATOM 1035 N ALA A 461 2.768 13.871 -13.364 1.00 31.22 N ATOM 1036 CA ALA A 461 3.684 12.945 -14.077 1.00 53.12 C ATOM 1037 C ALA A 461 3.417 11.438 -13.761 1.00 72.25 C ATOM 1038 O ALA A 461 3.567 10.608 -14.667 1.00 21.50 O ATOM 1039 CB ALA A 461 5.177 13.318 -13.893 1.00 71.53 C ATOM 0 H ALA A 461 3.206 14.417 -12.622 1.00 31.22 H new ATOM 0 HA ALA A 461 3.452 13.077 -15.134 1.00 53.12 H new ATOM 0 HB1 ALA A 461 5.799 12.607 -14.436 1.00 71.53 H new ATOM 0 HB2 ALA A 461 5.352 14.322 -14.280 1.00 71.53 H new ATOM 0 HB3 ALA A 461 5.432 13.288 -12.834 1.00 71.53 H new ATOM 1045 N ALA A 462 3.018 11.066 -12.507 1.00 30.50 N ATOM 1046 CA ALA A 462 2.701 9.647 -12.203 1.00 35.10 C ATOM 1047 C ALA A 462 1.369 9.124 -12.790 1.00 52.42 C ATOM 1048 O ALA A 462 1.301 7.937 -13.068 1.00 52.44 O ATOM 1049 CB ALA A 462 2.813 9.304 -10.703 1.00 74.00 C ATOM 0 H ALA A 462 2.913 11.707 -11.721 1.00 30.50 H new ATOM 0 HA ALA A 462 3.486 9.108 -12.733 1.00 35.10 H new ATOM 0 HB1 ALA A 462 2.568 8.253 -10.551 1.00 74.00 H new ATOM 0 HB2 ALA A 462 3.831 9.493 -10.362 1.00 74.00 H new ATOM 0 HB3 ALA A 462 2.119 9.924 -10.135 1.00 74.00 H new ATOM 1055 N ILE A 463 0.320 9.963 -12.997 1.00 14.33 N ATOM 1056 CA ILE A 463 -0.912 9.505 -13.648 1.00 2.24 C ATOM 1057 C ILE A 463 -0.607 9.060 -15.127 1.00 73.24 C ATOM 1058 O ILE A 463 -1.079 8.012 -15.506 1.00 61.44 O ATOM 1059 CB ILE A 463 -2.083 10.591 -13.496 1.00 24.04 C ATOM 1060 CG1 ILE A 463 -2.508 10.718 -11.965 1.00 45.43 C ATOM 1061 CG2 ILE A 463 -3.326 10.322 -14.394 1.00 43.35 C ATOM 1062 CD1 ILE A 463 -3.562 11.771 -11.610 1.00 73.05 C ATOM 0 H ILE A 463 0.313 10.945 -12.723 1.00 14.33 H new ATOM 0 HA ILE A 463 -1.294 8.617 -13.144 1.00 2.24 H new ATOM 0 HB ILE A 463 -1.672 11.536 -13.851 1.00 24.04 H new ATOM 0 HG12 ILE A 463 -2.879 9.747 -11.637 1.00 45.43 H new ATOM 0 HG13 ILE A 463 -1.611 10.930 -11.383 1.00 45.43 H new ATOM 0 HG21 ILE A 463 -4.069 11.102 -14.230 1.00 43.35 H new ATOM 0 HG22 ILE A 463 -3.025 10.322 -15.442 1.00 43.35 H new ATOM 0 HG23 ILE A 463 -3.755 9.353 -14.140 1.00 43.35 H new ATOM 0 HD11 ILE A 463 -3.754 11.747 -10.537 1.00 73.05 H new ATOM 0 HD12 ILE A 463 -3.198 12.759 -11.891 1.00 73.05 H new ATOM 0 HD13 ILE A 463 -4.485 11.558 -12.149 1.00 73.05 H new ATOM 1074 N GLN A 464 0.269 9.777 -15.913 1.00 53.42 N ATOM 1075 CA GLN A 464 0.633 9.321 -17.307 1.00 71.53 C ATOM 1076 C GLN A 464 1.440 7.982 -17.368 1.00 21.45 C ATOM 1077 O GLN A 464 1.022 7.068 -18.081 1.00 44.44 O ATOM 1078 CB GLN A 464 1.350 10.455 -18.147 1.00 41.23 C ATOM 1079 CG GLN A 464 0.528 11.070 -19.311 1.00 75.32 C ATOM 1080 CD GLN A 464 -0.988 11.273 -19.065 1.00 23.12 C ATOM 1081 OE1 GLN A 464 -1.781 10.368 -19.332 1.00 72.12 O ATOM 1082 NE2 GLN A 464 -1.403 12.456 -18.577 1.00 45.31 N ATOM 0 H GLN A 464 0.722 10.642 -15.619 1.00 53.42 H new ATOM 0 HA GLN A 464 -0.329 9.107 -17.773 1.00 71.53 H new ATOM 0 HB2 GLN A 464 1.634 11.258 -17.466 1.00 41.23 H new ATOM 0 HB3 GLN A 464 2.272 10.045 -18.558 1.00 41.23 H new ATOM 0 HG2 GLN A 464 0.964 12.037 -19.561 1.00 75.32 H new ATOM 0 HG3 GLN A 464 0.648 10.431 -20.186 1.00 75.32 H new ATOM 0 HE21 GLN A 464 -0.724 13.187 -18.365 1.00 45.31 H new ATOM 0 HE22 GLN A 464 -2.397 12.622 -18.419 1.00 45.31 H new ATOM 1091 N ALA A 465 2.571 7.847 -16.642 1.00 70.03 N ATOM 1092 CA ALA A 465 3.393 6.587 -16.692 1.00 5.44 C ATOM 1093 C ALA A 465 2.795 5.383 -15.862 1.00 34.03 C ATOM 1094 O ALA A 465 3.374 4.295 -15.844 1.00 30.11 O ATOM 1095 CB ALA A 465 4.885 6.861 -16.330 1.00 43.14 C ATOM 0 H ALA A 465 2.941 8.569 -16.024 1.00 70.03 H new ATOM 0 HA ALA A 465 3.351 6.258 -17.730 1.00 5.44 H new ATOM 0 HB1 ALA A 465 5.448 5.929 -16.377 1.00 43.14 H new ATOM 0 HB2 ALA A 465 5.306 7.575 -17.038 1.00 43.14 H new ATOM 0 HB3 ALA A 465 4.945 7.271 -15.322 1.00 43.14 H new ATOM 1101 N MET A 466 1.642 5.596 -15.190 1.00 1.54 N ATOM 1102 CA MET A 466 0.982 4.568 -14.322 1.00 21.03 C ATOM 1103 C MET A 466 -0.482 4.233 -14.664 1.00 54.51 C ATOM 1104 O MET A 466 -0.996 3.242 -14.131 1.00 53.43 O ATOM 1105 CB MET A 466 1.129 4.826 -12.798 1.00 41.42 C ATOM 1106 CG MET A 466 2.496 4.472 -12.215 1.00 20.11 C ATOM 1107 SD MET A 466 3.122 2.878 -12.721 1.00 44.40 S ATOM 1108 CE MET A 466 4.690 2.900 -11.856 1.00 53.24 C ATOM 0 H MET A 466 1.135 6.480 -15.227 1.00 1.54 H new ATOM 0 HA MET A 466 1.563 3.681 -14.574 1.00 21.03 H new ATOM 0 HB2 MET A 466 0.928 5.879 -12.601 1.00 41.42 H new ATOM 0 HB3 MET A 466 0.366 4.252 -12.272 1.00 41.42 H new ATOM 0 HG2 MET A 466 3.212 5.240 -12.507 1.00 20.11 H new ATOM 0 HG3 MET A 466 2.431 4.495 -11.127 1.00 20.11 H new ATOM 0 HE1 MET A 466 5.452 2.422 -12.472 1.00 53.24 H new ATOM 0 HE2 MET A 466 4.980 3.931 -11.655 1.00 53.24 H new ATOM 0 HE3 MET A 466 4.594 2.360 -10.914 1.00 53.24 H new ATOM 1118 N ASN A 467 -1.190 5.014 -15.507 1.00 10.53 N ATOM 1119 CA ASN A 467 -2.447 4.495 -16.036 1.00 62.35 C ATOM 1120 C ASN A 467 -2.078 3.445 -17.161 1.00 40.35 C ATOM 1121 O ASN A 467 -1.416 3.816 -18.137 1.00 22.13 O ATOM 1122 CB ASN A 467 -3.477 5.589 -16.488 1.00 45.34 C ATOM 1123 CG ASN A 467 -3.048 6.744 -17.426 1.00 2.53 C ATOM 1124 OD1 ASN A 467 -3.542 7.861 -17.262 1.00 42.04 O ATOM 1125 ND2 ASN A 467 -2.209 6.526 -18.428 1.00 54.34 N ATOM 0 H ASN A 467 -0.926 5.950 -15.816 1.00 10.53 H new ATOM 0 HA ASN A 467 -2.999 4.004 -15.234 1.00 62.35 H new ATOM 0 HB2 ASN A 467 -4.302 5.070 -16.976 1.00 45.34 H new ATOM 0 HB3 ASN A 467 -3.878 6.044 -15.583 1.00 45.34 H new ATOM 0 HD21 ASN A 467 -1.970 7.284 -19.067 1.00 54.34 H new ATOM 0 HD22 ASN A 467 -1.802 5.600 -18.560 1.00 54.34 H new ATOM 1132 N GLY A 468 -2.433 2.136 -17.043 1.00 60.32 N ATOM 1133 CA GLY A 468 -1.922 1.162 -18.039 1.00 13.22 C ATOM 1134 C GLY A 468 -0.719 0.234 -17.678 1.00 64.13 C ATOM 1135 O GLY A 468 -0.182 -0.338 -18.628 1.00 74.11 O ATOM 0 H GLY A 468 -3.034 1.750 -16.314 1.00 60.32 H new ATOM 0 HA2 GLY A 468 -2.755 0.518 -18.320 1.00 13.22 H new ATOM 0 HA3 GLY A 468 -1.641 1.725 -18.929 1.00 13.22 H new ATOM 1139 N PHE A 469 -0.245 0.027 -16.397 1.00 51.35 N ATOM 1140 CA PHE A 469 1.038 -0.758 -16.233 1.00 22.44 C ATOM 1141 C PHE A 469 0.738 -2.308 -16.345 1.00 14.43 C ATOM 1142 O PHE A 469 0.058 -2.861 -15.479 1.00 73.23 O ATOM 1143 CB PHE A 469 1.841 -0.434 -14.877 1.00 50.41 C ATOM 1144 CG PHE A 469 3.389 -0.708 -14.830 1.00 45.25 C ATOM 1145 CD1 PHE A 469 4.111 -1.526 -15.737 1.00 74.04 C ATOM 1146 CD2 PHE A 469 4.147 -0.079 -13.842 1.00 21.04 C ATOM 1147 CE1 PHE A 469 5.500 -1.663 -15.627 1.00 22.03 C ATOM 1148 CE2 PHE A 469 5.518 -0.238 -13.743 1.00 0.43 C ATOM 1149 CZ PHE A 469 6.185 -1.020 -14.635 1.00 22.13 C ATOM 0 H PHE A 469 -0.683 0.357 -15.537 1.00 51.35 H new ATOM 0 HA PHE A 469 1.695 -0.442 -17.043 1.00 22.44 H new ATOM 0 HB2 PHE A 469 1.685 0.619 -14.645 1.00 50.41 H new ATOM 0 HB3 PHE A 469 1.379 -1.009 -14.074 1.00 50.41 H new ATOM 0 HD1 PHE A 469 3.583 -2.049 -16.521 1.00 74.04 H new ATOM 0 HD2 PHE A 469 3.645 0.556 -13.127 1.00 21.04 H new ATOM 0 HE1 PHE A 469 6.034 -2.282 -16.332 1.00 22.03 H new ATOM 0 HE2 PHE A 469 6.061 0.261 -12.954 1.00 0.43 H new ATOM 0 HZ PHE A 469 7.256 -1.132 -14.559 1.00 22.13 H new ATOM 1159 N GLN A 470 1.223 -2.994 -17.431 1.00 2.40 N ATOM 1160 CA GLN A 470 0.979 -4.452 -17.663 1.00 34.54 C ATOM 1161 C GLN A 470 2.215 -5.360 -17.228 1.00 23.31 C ATOM 1162 O GLN A 470 3.315 -5.152 -17.728 1.00 72.41 O ATOM 1163 CB GLN A 470 0.659 -4.551 -19.189 1.00 2.51 C ATOM 1164 CG GLN A 470 0.364 -5.935 -19.831 1.00 72.13 C ATOM 1165 CD GLN A 470 0.036 -5.852 -21.316 1.00 53.22 C ATOM 1166 OE1 GLN A 470 0.236 -6.809 -22.064 1.00 11.22 O ATOM 1167 NE2 GLN A 470 -0.402 -4.698 -21.760 1.00 22.52 N ATOM 0 H GLN A 470 1.786 -2.555 -18.159 1.00 2.40 H new ATOM 0 HA GLN A 470 0.161 -4.833 -17.051 1.00 34.54 H new ATOM 0 HB2 GLN A 470 -0.204 -3.913 -19.382 1.00 2.51 H new ATOM 0 HB3 GLN A 470 1.502 -4.117 -19.726 1.00 2.51 H new ATOM 0 HG2 GLN A 470 1.229 -6.584 -19.693 1.00 72.13 H new ATOM 0 HG3 GLN A 470 -0.471 -6.400 -19.307 1.00 72.13 H new ATOM 0 HE21 GLN A 470 -0.556 -3.927 -21.110 1.00 22.52 H new ATOM 0 HE22 GLN A 470 -0.588 -4.572 -22.755 1.00 22.52 H new ATOM 1176 N ILE A 471 2.027 -6.363 -16.279 1.00 14.42 N ATOM 1177 CA ILE A 471 3.156 -7.214 -15.672 1.00 60.24 C ATOM 1178 C ILE A 471 2.571 -8.654 -15.375 1.00 35.41 C ATOM 1179 O ILE A 471 1.993 -8.840 -14.296 1.00 43.44 O ATOM 1180 CB ILE A 471 3.705 -6.616 -14.280 1.00 31.55 C ATOM 1181 CG1 ILE A 471 3.543 -5.079 -14.281 1.00 44.43 C ATOM 1182 CG2 ILE A 471 5.186 -6.951 -13.986 1.00 42.03 C ATOM 1183 CD1 ILE A 471 4.137 -4.273 -13.120 1.00 42.20 C ATOM 0 H ILE A 471 1.106 -6.605 -15.915 1.00 14.42 H new ATOM 0 HA ILE A 471 3.982 -7.229 -16.383 1.00 60.24 H new ATOM 0 HB ILE A 471 3.111 -7.088 -13.498 1.00 31.55 H new ATOM 0 HG12 ILE A 471 3.983 -4.701 -15.204 1.00 44.43 H new ATOM 0 HG13 ILE A 471 2.476 -4.860 -14.323 1.00 44.43 H new ATOM 0 HG21 ILE A 471 5.476 -6.512 -13.032 1.00 42.03 H new ATOM 0 HG22 ILE A 471 5.312 -8.033 -13.941 1.00 42.03 H new ATOM 0 HG23 ILE A 471 5.815 -6.545 -14.778 1.00 42.03 H new ATOM 0 HD11 ILE A 471 3.936 -3.213 -13.273 1.00 42.20 H new ATOM 0 HD12 ILE A 471 3.684 -4.597 -12.183 1.00 42.20 H new ATOM 0 HD13 ILE A 471 5.214 -4.436 -13.077 1.00 42.20 H new ATOM 1195 N GLY A 472 2.674 -9.663 -16.313 1.00 53.24 N ATOM 1196 CA GLY A 472 2.022 -10.987 -16.125 1.00 4.05 C ATOM 1197 C GLY A 472 0.448 -10.930 -16.168 1.00 10.13 C ATOM 1198 O GLY A 472 -0.116 -10.524 -17.187 1.00 54.11 O ATOM 0 H GLY A 472 3.195 -9.574 -17.185 1.00 53.24 H new ATOM 0 HA2 GLY A 472 2.373 -11.668 -16.900 1.00 4.05 H new ATOM 0 HA3 GLY A 472 2.336 -11.404 -15.168 1.00 4.05 H new ATOM 1202 N MET A 473 -0.255 -11.300 -15.058 1.00 52.03 N ATOM 1203 CA MET A 473 -1.785 -11.453 -15.063 1.00 4.13 C ATOM 1204 C MET A 473 -2.575 -10.388 -14.212 1.00 51.43 C ATOM 1205 O MET A 473 -3.673 -10.677 -13.725 1.00 22.44 O ATOM 1206 CB MET A 473 -2.245 -12.958 -14.765 1.00 2.43 C ATOM 1207 CG MET A 473 -1.976 -13.621 -13.378 1.00 52.21 C ATOM 1208 SD MET A 473 -3.473 -14.231 -12.583 1.00 4.21 S ATOM 1209 CE MET A 473 -2.759 -15.043 -11.146 1.00 62.12 C ATOM 0 H MET A 473 0.179 -11.499 -14.157 1.00 52.03 H new ATOM 0 HA MET A 473 -2.075 -11.222 -16.088 1.00 4.13 H new ATOM 0 HB2 MET A 473 -3.320 -13.003 -14.937 1.00 2.43 H new ATOM 0 HB3 MET A 473 -1.775 -13.591 -15.518 1.00 2.43 H new ATOM 0 HG2 MET A 473 -1.278 -14.448 -13.507 1.00 52.21 H new ATOM 0 HG3 MET A 473 -1.494 -12.896 -12.723 1.00 52.21 H new ATOM 0 HE1 MET A 473 -3.555 -15.478 -10.541 1.00 62.12 H new ATOM 0 HE2 MET A 473 -2.080 -15.830 -11.473 1.00 62.12 H new ATOM 0 HE3 MET A 473 -2.209 -14.313 -10.552 1.00 62.12 H new ATOM 1219 N LYS A 474 -2.052 -9.135 -14.097 1.00 10.50 N ATOM 1220 CA LYS A 474 -2.741 -8.035 -13.409 1.00 41.24 C ATOM 1221 C LYS A 474 -2.438 -6.714 -14.169 1.00 10.31 C ATOM 1222 O LYS A 474 -1.307 -6.538 -14.637 1.00 63.52 O ATOM 1223 CB LYS A 474 -2.304 -7.851 -11.926 1.00 42.43 C ATOM 1224 CG LYS A 474 -2.961 -8.779 -10.851 1.00 72.15 C ATOM 1225 CD LYS A 474 -4.304 -8.230 -10.348 1.00 21.25 C ATOM 1226 CE LYS A 474 -4.956 -9.077 -9.227 1.00 22.40 C ATOM 1227 NZ LYS A 474 -4.011 -9.351 -8.114 1.00 11.21 N ATOM 0 H LYS A 474 -1.144 -8.873 -14.481 1.00 10.50 H new ATOM 0 HA LYS A 474 -3.803 -8.282 -13.403 1.00 41.24 H new ATOM 0 HB2 LYS A 474 -1.224 -7.992 -11.875 1.00 42.43 H new ATOM 0 HB3 LYS A 474 -2.504 -6.817 -11.644 1.00 42.43 H new ATOM 0 HG2 LYS A 474 -3.113 -9.771 -11.275 1.00 72.15 H new ATOM 0 HG3 LYS A 474 -2.279 -8.894 -10.008 1.00 72.15 H new ATOM 0 HD2 LYS A 474 -4.154 -7.215 -9.980 1.00 21.25 H new ATOM 0 HD3 LYS A 474 -4.995 -8.166 -11.188 1.00 21.25 H new ATOM 0 HE2 LYS A 474 -5.830 -8.554 -8.840 1.00 22.40 H new ATOM 0 HE3 LYS A 474 -5.308 -10.021 -9.644 1.00 22.40 H new ATOM 0 HZ1 LYS A 474 -4.547 -9.576 -7.251 1.00 11.21 H new ATOM 0 HZ2 LYS A 474 -3.404 -10.157 -8.365 1.00 11.21 H new ATOM 0 HZ3 LYS A 474 -3.420 -8.512 -7.946 1.00 11.21 H new ATOM 1241 N ARG A 475 -3.406 -5.799 -14.321 1.00 41.24 N ATOM 1242 CA ARG A 475 -3.062 -4.414 -14.711 1.00 34.23 C ATOM 1243 C ARG A 475 -3.090 -3.435 -13.471 1.00 51.23 C ATOM 1244 O ARG A 475 -4.008 -3.544 -12.664 1.00 13.22 O ATOM 1245 CB ARG A 475 -4.021 -3.843 -15.813 1.00 5.11 C ATOM 1246 CG ARG A 475 -3.569 -2.517 -16.413 1.00 24.10 C ATOM 1247 CD ARG A 475 -3.177 -2.695 -17.893 1.00 13.31 C ATOM 1248 NE ARG A 475 -2.676 -4.049 -18.175 1.00 11.30 N ATOM 1249 CZ ARG A 475 -3.318 -4.946 -18.953 1.00 13.13 C ATOM 1250 NH1 ARG A 475 -4.477 -4.652 -19.532 1.00 5.25 N ATOM 1251 NH2 ARG A 475 -2.857 -6.176 -19.056 1.00 34.22 N ATOM 0 H ARG A 475 -4.401 -5.977 -14.187 1.00 41.24 H new ATOM 0 HA ARG A 475 -2.052 -4.470 -15.116 1.00 34.23 H new ATOM 0 HB2 ARG A 475 -4.114 -4.577 -16.613 1.00 5.11 H new ATOM 0 HB3 ARG A 475 -5.014 -3.714 -15.382 1.00 5.11 H new ATOM 0 HG2 ARG A 475 -4.370 -1.782 -16.329 1.00 24.10 H new ATOM 0 HG3 ARG A 475 -2.720 -2.128 -15.851 1.00 24.10 H new ATOM 0 HD2 ARG A 475 -4.042 -2.491 -18.524 1.00 13.31 H new ATOM 0 HD3 ARG A 475 -2.412 -1.964 -18.155 1.00 13.31 H new ATOM 0 HE ARG A 475 -1.788 -4.327 -17.757 1.00 11.30 H new ATOM 0 HH11 ARG A 475 -4.898 -3.734 -19.392 1.00 5.25 H new ATOM 0 HH12 ARG A 475 -4.945 -5.345 -20.116 1.00 5.25 H new ATOM 0 HH21 ARG A 475 -2.016 -6.450 -18.548 1.00 34.22 H new ATOM 0 HH22 ARG A 475 -3.341 -6.855 -19.644 1.00 34.22 H new ATOM 1265 N LEU A 476 -2.104 -2.490 -13.320 1.00 25.11 N ATOM 1266 CA LEU A 476 -2.222 -1.342 -12.348 1.00 55.32 C ATOM 1267 C LEU A 476 -3.378 -0.346 -12.796 1.00 52.14 C ATOM 1268 O LEU A 476 -3.435 0.002 -13.985 1.00 72.32 O ATOM 1269 CB LEU A 476 -0.883 -0.490 -12.284 1.00 12.24 C ATOM 1270 CG LEU A 476 -0.569 0.222 -10.970 1.00 63.34 C ATOM 1271 CD1 LEU A 476 0.486 -0.521 -10.146 1.00 33.52 C ATOM 1272 CD2 LEU A 476 -0.112 1.651 -11.182 1.00 5.12 C ATOM 0 H LEU A 476 -1.232 -2.498 -13.849 1.00 25.11 H new ATOM 0 HA LEU A 476 -2.436 -1.784 -11.375 1.00 55.32 H new ATOM 0 HB2 LEU A 476 -0.050 -1.153 -12.516 1.00 12.24 H new ATOM 0 HB3 LEU A 476 -0.922 0.261 -13.073 1.00 12.24 H new ATOM 0 HG LEU A 476 -1.508 0.232 -10.417 1.00 63.34 H new ATOM 0 HD11 LEU A 476 0.675 0.024 -9.221 1.00 33.52 H new ATOM 0 HD12 LEU A 476 0.125 -1.522 -9.910 1.00 33.52 H new ATOM 0 HD13 LEU A 476 1.410 -0.595 -10.719 1.00 33.52 H new ATOM 0 HD21 LEU A 476 0.098 2.113 -10.217 1.00 5.12 H new ATOM 0 HD22 LEU A 476 0.791 1.657 -11.792 1.00 5.12 H new ATOM 0 HD23 LEU A 476 -0.897 2.212 -11.689 1.00 5.12 H new ATOM 1284 N LYS A 477 -4.317 0.086 -11.883 1.00 24.51 N ATOM 1285 CA LYS A 477 -5.249 1.240 -12.180 1.00 24.04 C ATOM 1286 C LYS A 477 -5.155 2.333 -11.034 1.00 31.23 C ATOM 1287 O LYS A 477 -5.522 2.044 -9.894 1.00 54.13 O ATOM 1288 CB LYS A 477 -6.720 0.745 -12.446 1.00 24.01 C ATOM 1289 CG LYS A 477 -7.949 1.747 -12.267 1.00 41.25 C ATOM 1290 CD LYS A 477 -7.879 3.102 -13.025 1.00 13.10 C ATOM 1291 CE LYS A 477 -9.220 3.890 -12.905 1.00 50.02 C ATOM 1292 NZ LYS A 477 -10.388 3.057 -13.279 1.00 44.43 N ATOM 0 H LYS A 477 -4.448 -0.332 -10.962 1.00 24.51 H new ATOM 0 HA LYS A 477 -4.930 1.719 -13.105 1.00 24.04 H new ATOM 0 HB2 LYS A 477 -6.755 0.370 -13.469 1.00 24.01 H new ATOM 0 HB3 LYS A 477 -6.898 -0.106 -11.789 1.00 24.01 H new ATOM 0 HG2 LYS A 477 -8.855 1.230 -12.583 1.00 41.25 H new ATOM 0 HG3 LYS A 477 -8.058 1.960 -11.204 1.00 41.25 H new ATOM 0 HD2 LYS A 477 -7.064 3.704 -12.623 1.00 13.10 H new ATOM 0 HD3 LYS A 477 -7.654 2.922 -14.076 1.00 13.10 H new ATOM 0 HE2 LYS A 477 -9.341 4.246 -11.882 1.00 50.02 H new ATOM 0 HE3 LYS A 477 -9.182 4.770 -13.547 1.00 50.02 H new ATOM 0 HZ1 LYS A 477 -11.197 3.672 -13.499 1.00 44.43 H new ATOM 0 HZ2 LYS A 477 -10.152 2.484 -14.114 1.00 44.43 H new ATOM 0 HZ3 LYS A 477 -10.635 2.430 -12.487 1.00 44.43 H new ATOM 1306 N VAL A 478 -4.659 3.581 -11.335 1.00 15.34 N ATOM 1307 CA VAL A 478 -4.484 4.665 -10.334 1.00 22.14 C ATOM 1308 C VAL A 478 -5.769 5.582 -10.225 1.00 23.33 C ATOM 1309 O VAL A 478 -6.374 5.871 -11.261 1.00 72.40 O ATOM 1310 CB VAL A 478 -3.177 5.485 -10.770 1.00 43.20 C ATOM 1311 CG1 VAL A 478 -3.223 7.014 -10.671 1.00 5.34 C ATOM 1312 CG2 VAL A 478 -1.959 5.038 -10.002 1.00 34.41 C ATOM 0 H VAL A 478 -4.374 3.850 -12.277 1.00 15.34 H new ATOM 0 HA VAL A 478 -4.353 4.253 -9.334 1.00 22.14 H new ATOM 0 HB VAL A 478 -3.130 5.247 -11.833 1.00 43.20 H new ATOM 0 HG11 VAL A 478 -2.270 7.429 -10.999 1.00 5.34 H new ATOM 0 HG12 VAL A 478 -4.022 7.396 -11.306 1.00 5.34 H new ATOM 0 HG13 VAL A 478 -3.410 7.306 -9.638 1.00 5.34 H new ATOM 0 HG21 VAL A 478 -1.093 5.616 -10.325 1.00 34.41 H new ATOM 0 HG22 VAL A 478 -2.123 5.195 -8.936 1.00 34.41 H new ATOM 0 HG23 VAL A 478 -1.779 3.979 -10.189 1.00 34.41 H new ATOM 1322 N GLN A 479 -6.223 6.022 -8.984 1.00 23.44 N ATOM 1323 CA GLN A 479 -7.362 6.968 -8.885 1.00 5.52 C ATOM 1324 C GLN A 479 -6.862 8.373 -8.427 1.00 50.50 C ATOM 1325 O GLN A 479 -6.111 8.450 -7.446 1.00 1.10 O ATOM 1326 CB GLN A 479 -8.516 6.507 -7.876 1.00 12.14 C ATOM 1327 CG GLN A 479 -8.602 5.025 -7.445 1.00 45.13 C ATOM 1328 CD GLN A 479 -9.839 4.800 -6.585 1.00 30.12 C ATOM 1329 OE1 GLN A 479 -10.937 4.664 -7.123 1.00 11.23 O ATOM 1330 NE2 GLN A 479 -9.690 4.627 -5.262 1.00 73.01 N ATOM 0 H GLN A 479 -5.823 5.738 -8.090 1.00 23.44 H new ATOM 0 HA GLN A 479 -7.791 6.997 -9.887 1.00 5.52 H new ATOM 0 HB2 GLN A 479 -8.416 7.105 -6.970 1.00 12.14 H new ATOM 0 HB3 GLN A 479 -9.471 6.771 -8.329 1.00 12.14 H new ATOM 0 HG2 GLN A 479 -8.641 4.384 -8.326 1.00 45.13 H new ATOM 0 HG3 GLN A 479 -7.707 4.748 -6.888 1.00 45.13 H new ATOM 0 HE21 GLN A 479 -8.772 4.744 -4.833 1.00 73.01 H new ATOM 0 HE22 GLN A 479 -10.495 4.379 -4.686 1.00 73.01 H new