USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 829 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 443 GLN : amide:sc= -0.71! K(o=-10!,f=-11) USER MOD Set 1.2: A 475 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 476 ASN : amide:sc= -1.99 K(o=-10,f=-13!) USER MOD Set 1.4: A 480 GLN : amide:sc= -7.66! C(o=-10!,f=-13!) USER MOD Set 2.1: A 473 MET CE :methyl -130:sc= -12! (180deg=-11.3!) USER MOD Set 2.2: A 485 CYS SG : rot -84:sc= -3.18! USER MOD Set 3.1: A 401 HIS : no HD1:sc= -7.73! C(o=-7.7!,f=-10!) USER MOD Set 3.2: A 426 THR OG1 : rot 180:sc= 0 USER MOD Single : A 395 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -9.83! C(o=-9.8!,f=-17!) USER MOD Single : A 407 HIS : no HD1:sc= -2.34! K(o=-2.3!,f=-3.1) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 448 HIS : no HE2:sc= -11.6! C(o=-12!,f=-9.2!) USER MOD Single : A 449 SER OG : rot 180:sc= -1.43 USER MOD Single : A 457 THR OG1 : rot 165:sc= 0.701 USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 462 CYS SG : rot 110:sc= -3.81! USER MOD Single : A 465 SER OG : rot -23:sc= -2.44! USER MOD Single : A 467 HIS : no HD1:sc= -0.359 K(o=-0.36,f=-1.2) USER MOD Single : A 468 GLN : amide:sc= -5.69! C(o=-5.7!,f=-6.4!) USER MOD Single : A 470 ASN : amide:sc= -2.52 K(o=-2.5,f=-0.94) USER MOD Single : A 471 GLN : amide:sc= -1.49 K(o=-1.5,f=-0.096) USER MOD Single : A 474 MET CE :methyl 168:sc= -3.07! (180deg=-3.67) USER MOD Single : A 478 THR OG1 : rot -26:sc= 0.13 USER MOD Single : A 482 SER OG : rot 150:sc= 0 USER MOD Single : A 494 SER OG : rot 70:sc= -1.44! USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 498 GLN : amide:sc= -0.366 K(o=-0.37,f=-1.4) USER MOD Single : A 500 SER OG : rot 180:sc= 0 USER MOD Single : A 501 SER OG : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot -150:sc= 0 USER MOD Single : A 505 SER OG : rot 180:sc=-0.00129 USER MOD Single : A 508 SER OG : rot -120:sc= 0.788 USER MOD Single : A 516 HIS : no HD1:sc= -6.19! C(o=-6.2!,f=-10!) USER MOD Single : A 517 SER OG : rot 180:sc= -1.48! USER MOD Single : A 518 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.9!) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 526 ASN : amide:sc= -3! C(o=-3!,f=-4.5!) USER MOD Single : A 527 THR OG1 : rot -120:sc= -0.0422 USER MOD Single : A 529 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 531 HIS : no HE2:sc= -7.79! C(o=-7.8!,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 125 N TYR A 395 4.191 9.087 4.083 1.00 41.31 N ATOM 126 CA TYR A 395 3.720 7.804 3.588 1.00 51.24 C ATOM 127 C TYR A 395 4.372 7.463 2.246 1.00 5.41 C ATOM 128 O TYR A 395 4.534 8.333 1.392 1.00 13.35 O ATOM 129 CB TYR A 395 2.212 7.959 3.386 1.00 12.44 C ATOM 130 CG TYR A 395 1.394 7.825 4.672 1.00 22.14 C ATOM 131 CD1 TYR A 395 2.028 7.840 5.898 1.00 51.11 C ATOM 132 CD2 TYR A 395 0.023 7.687 4.606 1.00 1.41 C ATOM 133 CE1 TYR A 395 1.258 7.713 7.108 1.00 30.20 C ATOM 134 CE2 TYR A 395 -0.747 7.561 5.816 1.00 1.11 C ATOM 135 CZ TYR A 395 -0.091 7.580 7.008 1.00 51.42 C ATOM 136 OH TYR A 395 -0.819 7.461 8.151 1.00 72.21 O ATOM 0 HA TYR A 395 3.967 7.006 4.288 1.00 51.24 H new ATOM 0 HB2 TYR A 395 2.014 8.934 2.942 1.00 12.44 H new ATOM 0 HB3 TYR A 395 1.873 7.209 2.672 1.00 12.44 H new ATOM 0 HD1 TYR A 395 3.101 7.947 5.950 1.00 51.11 H new ATOM 0 HD2 TYR A 395 -0.473 7.673 3.647 1.00 1.41 H new ATOM 0 HE1 TYR A 395 1.742 7.723 8.074 1.00 30.20 H new ATOM 0 HE2 TYR A 395 -1.821 7.454 5.778 1.00 1.11 H new ATOM 0 HH TYR A 395 -1.769 7.375 7.926 1.00 72.21 H new ATOM 145 N ASN A 396 4.726 6.195 2.103 1.00 63.23 N ATOM 146 CA ASN A 396 5.356 5.727 0.881 1.00 61.02 C ATOM 147 C ASN A 396 4.487 4.637 0.248 1.00 54.45 C ATOM 148 O ASN A 396 4.799 4.139 -0.832 1.00 13.41 O ATOM 149 CB ASN A 396 6.734 5.125 1.165 1.00 55.44 C ATOM 150 CG ASN A 396 7.772 6.223 1.403 1.00 24.23 C ATOM 151 OD1 ASN A 396 8.298 6.390 2.492 1.00 20.13 O ATOM 152 ND2 ASN A 396 8.038 6.961 0.329 1.00 2.13 N ATOM 0 H ASN A 396 4.588 5.477 2.814 1.00 63.23 H new ATOM 0 HA ASN A 396 5.466 6.581 0.212 1.00 61.02 H new ATOM 0 HB2 ASN A 396 6.678 4.476 2.039 1.00 55.44 H new ATOM 0 HB3 ASN A 396 7.043 4.503 0.325 1.00 55.44 H new ATOM 0 HD21 ASN A 396 8.718 7.719 0.387 1.00 2.13 H new ATOM 0 HD22 ASN A 396 7.562 6.769 -0.553 1.00 2.13 H new ATOM 158 N PHE A 397 3.413 4.303 0.948 1.00 13.24 N ATOM 159 CA PHE A 397 2.496 3.282 0.469 1.00 54.44 C ATOM 160 C PHE A 397 1.314 3.115 1.426 1.00 21.14 C ATOM 161 O PHE A 397 1.451 3.327 2.629 1.00 72.24 O ATOM 162 CB PHE A 397 3.278 1.970 0.407 1.00 62.42 C ATOM 163 CG PHE A 397 3.647 1.402 1.780 1.00 75.31 C ATOM 164 CD1 PHE A 397 2.676 0.909 2.595 1.00 63.43 C ATOM 165 CD2 PHE A 397 4.947 1.388 2.183 1.00 14.23 C ATOM 166 CE1 PHE A 397 3.019 0.382 3.868 1.00 62.21 C ATOM 167 CE2 PHE A 397 5.289 0.861 3.456 1.00 4.45 C ATOM 168 CZ PHE A 397 4.318 0.368 4.272 1.00 2.33 C ATOM 0 H PHE A 397 3.157 4.721 1.843 1.00 13.24 H new ATOM 0 HA PHE A 397 2.101 3.565 -0.507 1.00 54.44 H new ATOM 0 HB2 PHE A 397 2.687 1.231 -0.134 1.00 62.42 H new ATOM 0 HB3 PHE A 397 4.191 2.129 -0.167 1.00 62.42 H new ATOM 0 HD1 PHE A 397 1.645 0.918 2.274 1.00 63.43 H new ATOM 0 HD2 PHE A 397 5.718 1.778 1.535 1.00 14.23 H new ATOM 0 HE1 PHE A 397 2.248 -0.008 4.516 1.00 62.21 H new ATOM 0 HE2 PHE A 397 6.320 0.851 3.777 1.00 4.45 H new ATOM 0 HZ PHE A 397 4.578 -0.034 5.240 1.00 2.33 H new ATOM 177 N VAL A 398 0.181 2.733 0.855 1.00 4.04 N ATOM 178 CA VAL A 398 -1.024 2.533 1.643 1.00 70.23 C ATOM 179 C VAL A 398 -1.402 1.050 1.622 1.00 62.23 C ATOM 180 O VAL A 398 -1.831 0.530 0.595 1.00 12.04 O ATOM 181 CB VAL A 398 -2.143 3.442 1.129 1.00 71.14 C ATOM 182 CG1 VAL A 398 -2.871 2.800 -0.054 1.00 25.53 C ATOM 183 CG2 VAL A 398 -3.122 3.793 2.250 1.00 73.15 C ATOM 0 H VAL A 398 0.072 2.557 -0.144 1.00 4.04 H new ATOM 0 HA VAL A 398 -0.850 2.810 2.683 1.00 70.23 H new ATOM 0 HB VAL A 398 -1.688 4.369 0.779 1.00 71.14 H new ATOM 0 HG11 VAL A 398 -3.661 3.466 -0.400 1.00 25.53 H new ATOM 0 HG12 VAL A 398 -2.164 2.624 -0.865 1.00 25.53 H new ATOM 0 HG13 VAL A 398 -3.307 1.851 0.259 1.00 25.53 H new ATOM 0 HG21 VAL A 398 -3.907 4.440 1.858 1.00 73.15 H new ATOM 0 HG22 VAL A 398 -3.567 2.879 2.644 1.00 73.15 H new ATOM 0 HG23 VAL A 398 -2.590 4.311 3.048 1.00 73.15 H new ATOM 193 N ILE A 399 -1.226 0.413 2.770 1.00 2.54 N ATOM 194 CA ILE A 399 -1.543 -1.000 2.898 1.00 12.23 C ATOM 195 C ILE A 399 -3.039 -1.159 3.183 1.00 32.13 C ATOM 196 O ILE A 399 -3.468 -1.059 4.331 1.00 10.24 O ATOM 197 CB ILE A 399 -0.643 -1.659 3.945 1.00 52.41 C ATOM 198 CG1 ILE A 399 0.788 -1.804 3.424 1.00 43.45 C ATOM 199 CG2 ILE A 399 -1.226 -2.997 4.403 1.00 44.21 C ATOM 200 CD1 ILE A 399 1.715 -2.347 4.514 1.00 25.35 C ATOM 0 H ILE A 399 -0.868 0.849 3.620 1.00 2.54 H new ATOM 0 HA ILE A 399 -1.339 -1.522 1.963 1.00 12.23 H new ATOM 0 HB ILE A 399 -0.602 -1.010 4.820 1.00 52.41 H new ATOM 0 HG12 ILE A 399 0.800 -2.474 2.564 1.00 43.45 H new ATOM 0 HG13 ILE A 399 1.153 -0.837 3.079 1.00 43.45 H new ATOM 0 HG21 ILE A 399 -0.568 -3.445 5.147 1.00 44.21 H new ATOM 0 HG22 ILE A 399 -2.211 -2.834 4.841 1.00 44.21 H new ATOM 0 HG23 ILE A 399 -1.316 -3.667 3.548 1.00 44.21 H new ATOM 0 HD11 ILE A 399 2.726 -2.441 4.118 1.00 25.35 H new ATOM 0 HD12 ILE A 399 1.719 -1.662 5.362 1.00 25.35 H new ATOM 0 HD13 ILE A 399 1.360 -3.325 4.839 1.00 25.35 H new ATOM 211 N LEU A 400 -3.788 -1.404 2.119 1.00 33.34 N ATOM 212 CA LEU A 400 -5.226 -1.579 2.240 1.00 30.11 C ATOM 213 C LEU A 400 -5.519 -2.960 2.829 1.00 51.15 C ATOM 214 O LEU A 400 -4.949 -3.959 2.395 1.00 73.04 O ATOM 215 CB LEU A 400 -5.911 -1.324 0.897 1.00 14.42 C ATOM 216 CG LEU A 400 -6.377 0.111 0.641 1.00 24.15 C ATOM 217 CD1 LEU A 400 -6.637 0.346 -0.847 1.00 10.44 C ATOM 218 CD2 LEU A 400 -7.599 0.451 1.498 1.00 64.54 C ATOM 0 H LEU A 400 -3.427 -1.486 1.169 1.00 33.34 H new ATOM 0 HA LEU A 400 -5.643 -0.844 2.928 1.00 30.11 H new ATOM 0 HB2 LEU A 400 -5.223 -1.608 0.101 1.00 14.42 H new ATOM 0 HB3 LEU A 400 -6.775 -1.984 0.822 1.00 14.42 H new ATOM 0 HG LEU A 400 -5.576 0.789 0.938 1.00 24.15 H new ATOM 0 HD11 LEU A 400 -6.967 1.373 -1.001 1.00 10.44 H new ATOM 0 HD12 LEU A 400 -5.719 0.172 -1.409 1.00 10.44 H new ATOM 0 HD13 LEU A 400 -7.410 -0.339 -1.194 1.00 10.44 H new ATOM 0 HD21 LEU A 400 -7.910 1.476 1.297 1.00 64.54 H new ATOM 0 HD22 LEU A 400 -8.415 -0.230 1.255 1.00 64.54 H new ATOM 0 HD23 LEU A 400 -7.343 0.349 2.553 1.00 64.54 H new ATOM 229 N HIS A 401 -6.411 -2.972 3.811 1.00 74.21 N ATOM 230 CA HIS A 401 -6.787 -4.214 4.464 1.00 52.33 C ATOM 231 C HIS A 401 -8.099 -4.016 5.225 1.00 41.22 C ATOM 232 O HIS A 401 -8.721 -2.959 5.132 1.00 42.42 O ATOM 233 CB HIS A 401 -5.654 -4.722 5.358 1.00 32.11 C ATOM 234 CG HIS A 401 -5.480 -3.937 6.635 1.00 25.12 C ATOM 235 ND1 HIS A 401 -6.103 -4.286 7.821 1.00 33.42 N ATOM 236 CD2 HIS A 401 -4.746 -2.818 6.900 1.00 14.20 C ATOM 237 CE1 HIS A 401 -5.753 -3.409 8.750 1.00 61.31 C ATOM 238 NE2 HIS A 401 -4.912 -2.499 8.178 1.00 25.13 N ATOM 0 H HIS A 401 -6.883 -2.142 4.169 1.00 74.21 H new ATOM 0 HA HIS A 401 -6.955 -4.987 3.714 1.00 52.33 H new ATOM 0 HB2 HIS A 401 -5.843 -5.766 5.608 1.00 32.11 H new ATOM 0 HB3 HIS A 401 -4.721 -4.693 4.796 1.00 32.11 H new ATOM 0 HD2 HIS A 401 -4.133 -2.282 6.190 1.00 14.20 H new ATOM 0 HE1 HIS A 401 -6.077 -3.413 9.780 1.00 61.31 H new ATOM 0 HE2 HIS A 401 -4.482 -1.705 8.653 1.00 25.13 H new ATOM 246 N ALA A 402 -8.481 -5.049 5.961 1.00 72.11 N ATOM 247 CA ALA A 402 -9.707 -5.002 6.738 1.00 60.03 C ATOM 248 C ALA A 402 -9.428 -4.332 8.085 1.00 73.34 C ATOM 249 O ALA A 402 -8.450 -3.598 8.226 1.00 4.33 O ATOM 250 CB ALA A 402 -10.267 -6.418 6.896 1.00 61.12 C ATOM 0 H ALA A 402 -7.962 -5.924 6.036 1.00 72.11 H new ATOM 0 HA ALA A 402 -10.463 -4.408 6.225 1.00 60.03 H new ATOM 0 HB1 ALA A 402 -11.187 -6.382 7.479 1.00 61.12 H new ATOM 0 HB2 ALA A 402 -10.477 -6.838 5.912 1.00 61.12 H new ATOM 0 HB3 ALA A 402 -9.536 -7.043 7.409 1.00 61.12 H new ATOM 256 N ARG A 403 -10.305 -4.608 9.040 1.00 71.15 N ATOM 257 CA ARG A 403 -10.163 -4.041 10.370 1.00 45.52 C ATOM 258 C ARG A 403 -9.522 -5.059 11.316 1.00 50.05 C ATOM 259 O ARG A 403 -8.997 -4.691 12.367 1.00 34.24 O ATOM 260 CB ARG A 403 -11.521 -3.616 10.934 1.00 4.41 C ATOM 261 CG ARG A 403 -11.380 -3.085 12.362 1.00 23.12 C ATOM 262 CD ARG A 403 -10.329 -1.974 12.432 1.00 3.53 C ATOM 263 NE ARG A 403 -10.599 -1.097 13.594 1.00 20.52 N ATOM 264 CZ ARG A 403 -10.171 -1.352 14.849 1.00 73.54 C ATOM 265 NH1 ARG A 403 -9.450 -2.462 15.115 1.00 60.34 N ATOM 266 NH2 ARG A 403 -10.469 -0.498 15.811 1.00 73.33 N ATOM 0 H ARG A 403 -11.115 -5.216 8.919 1.00 71.15 H new ATOM 0 HA ARG A 403 -9.523 -3.162 10.290 1.00 45.52 H new ATOM 0 HB2 ARG A 403 -11.958 -2.847 10.298 1.00 4.41 H new ATOM 0 HB3 ARG A 403 -12.205 -4.465 10.924 1.00 4.41 H new ATOM 0 HG2 ARG A 403 -12.341 -2.704 12.709 1.00 23.12 H new ATOM 0 HG3 ARG A 403 -11.099 -3.899 13.031 1.00 23.12 H new ATOM 0 HD2 ARG A 403 -9.333 -2.409 12.517 1.00 3.53 H new ATOM 0 HD3 ARG A 403 -10.344 -1.389 11.513 1.00 3.53 H new ATOM 0 HE ARG A 403 -11.142 -0.248 13.437 1.00 20.52 H new ATOM 0 HH11 ARG A 403 -9.225 -3.116 14.365 1.00 60.34 H new ATOM 0 HH12 ARG A 403 -9.131 -2.647 16.066 1.00 60.34 H new ATOM 0 HH21 ARG A 403 -11.014 0.338 15.600 1.00 73.33 H new ATOM 0 HH22 ARG A 403 -10.154 -0.674 16.765 1.00 73.33 H new ATOM 276 N ALA A 404 -9.585 -6.318 10.909 1.00 1.10 N ATOM 277 CA ALA A 404 -9.016 -7.391 11.707 1.00 2.01 C ATOM 278 C ALA A 404 -7.691 -7.835 11.085 1.00 64.31 C ATOM 279 O ALA A 404 -7.187 -8.915 11.393 1.00 15.41 O ATOM 280 CB ALA A 404 -10.023 -8.537 11.812 1.00 42.30 C ATOM 0 H ALA A 404 -10.021 -6.619 10.038 1.00 1.10 H new ATOM 0 HA ALA A 404 -8.806 -7.047 12.720 1.00 2.01 H new ATOM 0 HB1 ALA A 404 -9.597 -9.342 12.410 1.00 42.30 H new ATOM 0 HB2 ALA A 404 -10.936 -8.177 12.286 1.00 42.30 H new ATOM 0 HB3 ALA A 404 -10.255 -8.910 10.814 1.00 42.30 H new ATOM 286 N ASP A 405 -7.161 -6.980 10.223 1.00 45.42 N ATOM 287 CA ASP A 405 -5.904 -7.270 9.556 1.00 64.34 C ATOM 288 C ASP A 405 -4.909 -6.140 9.836 1.00 44.33 C ATOM 289 O ASP A 405 -4.001 -5.897 9.044 1.00 31.53 O ATOM 290 CB ASP A 405 -6.093 -7.367 8.042 1.00 15.25 C ATOM 291 CG ASP A 405 -5.979 -8.780 7.465 1.00 31.55 C ATOM 292 OD1 ASP A 405 -5.457 -8.977 6.358 1.00 21.11 O ATOM 293 OD2 ASP A 405 -6.460 -9.715 8.212 1.00 64.12 O ATOM 0 H ASP A 405 -7.580 -6.085 9.971 1.00 45.42 H new ATOM 0 HA ASP A 405 -5.534 -8.223 9.935 1.00 64.34 H new ATOM 0 HB2 ASP A 405 -7.073 -6.965 7.787 1.00 15.25 H new ATOM 0 HB3 ASP A 405 -5.352 -6.732 7.557 1.00 15.25 H new ATOM 298 N GLU A 406 -5.117 -5.479 10.965 1.00 50.20 N ATOM 299 CA GLU A 406 -4.252 -4.380 11.359 1.00 4.54 C ATOM 300 C GLU A 406 -2.837 -4.894 11.638 1.00 44.54 C ATOM 301 O GLU A 406 -1.929 -4.683 10.837 1.00 63.45 O ATOM 302 CB GLU A 406 -4.818 -3.645 12.576 1.00 11.44 C ATOM 303 CG GLU A 406 -3.745 -2.789 13.248 1.00 71.54 C ATOM 304 CD GLU A 406 -4.357 -1.871 14.307 1.00 40.22 C ATOM 305 OE1 GLU A 406 -5.126 -0.958 13.967 1.00 1.35 O ATOM 306 OE2 GLU A 406 -4.011 -2.131 15.522 1.00 50.42 O ATOM 0 H GLU A 406 -5.872 -5.683 11.620 1.00 50.20 H new ATOM 0 HA GLU A 406 -4.204 -3.667 10.536 1.00 4.54 H new ATOM 0 HB2 GLU A 406 -5.652 -3.014 12.269 1.00 11.44 H new ATOM 0 HB3 GLU A 406 -5.212 -4.368 13.291 1.00 11.44 H new ATOM 0 HG2 GLU A 406 -2.997 -3.434 13.709 1.00 71.54 H new ATOM 0 HG3 GLU A 406 -3.230 -2.190 12.497 1.00 71.54 H new ATOM 312 N HIS A 407 -2.697 -5.557 12.776 1.00 21.41 N ATOM 313 CA HIS A 407 -1.409 -6.102 13.171 1.00 12.14 C ATOM 314 C HIS A 407 -0.696 -6.674 11.943 1.00 10.31 C ATOM 315 O HIS A 407 0.501 -6.459 11.760 1.00 45.40 O ATOM 316 CB HIS A 407 -1.574 -7.131 14.292 1.00 51.41 C ATOM 317 CG HIS A 407 -2.306 -8.384 13.874 1.00 33.10 C ATOM 318 ND1 HIS A 407 -3.540 -8.358 13.249 1.00 74.23 N ATOM 319 CD2 HIS A 407 -1.963 -9.698 13.996 1.00 22.13 C ATOM 320 CE1 HIS A 407 -3.914 -9.606 13.011 1.00 15.31 C ATOM 321 NE2 HIS A 407 -2.937 -10.436 13.476 1.00 3.32 N ATOM 0 H HIS A 407 -3.454 -5.729 13.437 1.00 21.41 H new ATOM 0 HA HIS A 407 -0.783 -5.307 13.576 1.00 12.14 H new ATOM 0 HB2 HIS A 407 -0.588 -7.406 14.666 1.00 51.41 H new ATOM 0 HB3 HIS A 407 -2.111 -6.668 15.120 1.00 51.41 H new ATOM 0 HD2 HIS A 407 -1.054 -10.075 14.440 1.00 22.13 H new ATOM 0 HE1 HIS A 407 -4.832 -9.913 12.532 1.00 15.31 H new ATOM 0 HE2 HIS A 407 -2.952 -11.455 13.432 1.00 3.32 H new ATOM 328 N ILE A 408 -1.461 -7.390 11.134 1.00 5.13 N ATOM 329 CA ILE A 408 -0.918 -7.994 9.930 1.00 14.50 C ATOM 330 C ILE A 408 -0.197 -6.924 9.109 1.00 52.21 C ATOM 331 O ILE A 408 0.946 -7.118 8.696 1.00 13.51 O ATOM 332 CB ILE A 408 -2.015 -8.727 9.156 1.00 0.35 C ATOM 333 CG1 ILE A 408 -2.459 -9.991 9.897 1.00 55.22 C ATOM 334 CG2 ILE A 408 -1.568 -9.030 7.724 1.00 20.31 C ATOM 335 CD1 ILE A 408 -3.637 -10.658 9.185 1.00 25.05 C ATOM 0 H ILE A 408 -2.454 -7.566 11.289 1.00 5.13 H new ATOM 0 HA ILE A 408 -0.179 -8.753 10.185 1.00 14.50 H new ATOM 0 HB ILE A 408 -2.883 -8.070 9.090 1.00 0.35 H new ATOM 0 HG12 ILE A 408 -1.626 -10.690 9.962 1.00 55.22 H new ATOM 0 HG13 ILE A 408 -2.743 -9.737 10.918 1.00 55.22 H new ATOM 0 HG21 ILE A 408 -2.367 -9.551 7.196 1.00 20.31 H new ATOM 0 HG22 ILE A 408 -1.341 -8.097 7.208 1.00 20.31 H new ATOM 0 HG23 ILE A 408 -0.677 -9.658 7.746 1.00 20.31 H new ATOM 0 HD11 ILE A 408 -3.933 -11.553 9.732 1.00 25.05 H new ATOM 0 HD12 ILE A 408 -4.477 -9.964 9.143 1.00 25.05 H new ATOM 0 HD13 ILE A 408 -3.342 -10.932 8.172 1.00 25.05 H new ATOM 346 N ALA A 409 -0.893 -5.817 8.896 1.00 13.03 N ATOM 347 CA ALA A 409 -0.334 -4.715 8.131 1.00 5.14 C ATOM 348 C ALA A 409 0.836 -4.105 8.906 1.00 45.30 C ATOM 349 O ALA A 409 1.916 -3.905 8.352 1.00 0.34 O ATOM 350 CB ALA A 409 -1.432 -3.692 7.832 1.00 4.24 C ATOM 0 H ALA A 409 -1.840 -5.659 9.240 1.00 13.03 H new ATOM 0 HA ALA A 409 0.052 -5.068 7.174 1.00 5.14 H new ATOM 0 HB1 ALA A 409 -1.013 -2.865 7.258 1.00 4.24 H new ATOM 0 HB2 ALA A 409 -2.226 -4.168 7.256 1.00 4.24 H new ATOM 0 HB3 ALA A 409 -1.841 -3.313 8.769 1.00 4.24 H new ATOM 356 N LEU A 410 0.581 -3.826 10.177 1.00 60.21 N ATOM 357 CA LEU A 410 1.600 -3.243 11.034 1.00 54.31 C ATOM 358 C LEU A 410 2.775 -4.215 11.156 1.00 70.42 C ATOM 359 O LEU A 410 3.852 -3.838 11.617 1.00 25.21 O ATOM 360 CB LEU A 410 0.998 -2.832 12.379 1.00 10.41 C ATOM 361 CG LEU A 410 0.185 -1.536 12.383 1.00 13.03 C ATOM 362 CD1 LEU A 410 -1.062 -1.668 11.507 1.00 52.31 C ATOM 363 CD2 LEU A 410 -0.160 -1.109 13.812 1.00 12.04 C ATOM 0 H LEU A 410 -0.316 -3.993 10.633 1.00 60.21 H new ATOM 0 HA LEU A 410 1.990 -2.326 10.593 1.00 54.31 H new ATOM 0 HB2 LEU A 410 0.357 -3.641 12.730 1.00 10.41 H new ATOM 0 HB3 LEU A 410 1.808 -2.731 13.101 1.00 10.41 H new ATOM 0 HG LEU A 410 0.799 -0.746 11.951 1.00 13.03 H new ATOM 0 HD11 LEU A 410 -1.622 -0.733 11.528 1.00 52.31 H new ATOM 0 HD12 LEU A 410 -0.765 -1.891 10.482 1.00 52.31 H new ATOM 0 HD13 LEU A 410 -1.689 -2.475 11.886 1.00 52.31 H new ATOM 0 HD21 LEU A 410 -0.738 -0.185 13.786 1.00 12.04 H new ATOM 0 HD22 LEU A 410 -0.747 -1.891 14.294 1.00 12.04 H new ATOM 0 HD23 LEU A 410 0.759 -0.946 14.375 1.00 12.04 H new ATOM 374 N ARG A 411 2.529 -5.446 10.735 1.00 4.15 N ATOM 375 CA ARG A 411 3.553 -6.476 10.792 1.00 54.13 C ATOM 376 C ARG A 411 4.442 -6.410 9.549 1.00 74.44 C ATOM 377 O ARG A 411 5.535 -6.975 9.531 1.00 54.52 O ATOM 378 CB ARG A 411 2.928 -7.868 10.890 1.00 32.34 C ATOM 379 CG ARG A 411 3.991 -8.924 11.202 1.00 34.25 C ATOM 380 CD ARG A 411 3.375 -10.128 11.919 1.00 1.10 C ATOM 381 NE ARG A 411 3.001 -11.168 10.934 1.00 52.35 N ATOM 382 CZ ARG A 411 3.839 -12.131 10.496 1.00 41.10 C ATOM 383 NH1 ARG A 411 5.108 -12.195 10.953 1.00 31.11 N ATOM 384 NH2 ARG A 411 3.399 -13.009 9.614 1.00 11.31 N ATOM 0 H ARG A 411 1.635 -5.754 10.353 1.00 4.15 H new ATOM 0 HA ARG A 411 4.155 -6.297 11.683 1.00 54.13 H new ATOM 0 HB2 ARG A 411 2.164 -7.874 11.668 1.00 32.34 H new ATOM 0 HB3 ARG A 411 2.430 -8.114 9.952 1.00 32.34 H new ATOM 0 HG2 ARG A 411 4.466 -9.251 10.277 1.00 34.25 H new ATOM 0 HG3 ARG A 411 4.772 -8.486 11.824 1.00 34.25 H new ATOM 0 HD2 ARG A 411 4.085 -10.536 12.638 1.00 1.10 H new ATOM 0 HD3 ARG A 411 2.495 -9.815 12.482 1.00 1.10 H new ATOM 0 HE ARG A 411 2.051 -11.156 10.563 1.00 52.35 H new ATOM 0 HH11 ARG A 411 5.440 -11.512 11.634 1.00 31.11 H new ATOM 0 HH12 ARG A 411 5.735 -12.926 10.617 1.00 31.11 H new ATOM 0 HH21 ARG A 411 2.439 -12.953 9.274 1.00 11.31 H new ATOM 0 HH22 ARG A 411 4.019 -13.743 9.272 1.00 11.31 H new ATOM 394 N VAL A 412 3.941 -5.711 8.539 1.00 23.32 N ATOM 395 CA VAL A 412 4.676 -5.564 7.295 1.00 63.34 C ATOM 396 C VAL A 412 5.439 -4.237 7.312 1.00 41.25 C ATOM 397 O VAL A 412 6.641 -4.203 7.054 1.00 4.00 O ATOM 398 CB VAL A 412 3.723 -5.689 6.105 1.00 10.11 C ATOM 399 CG1 VAL A 412 4.356 -5.123 4.833 1.00 64.34 C ATOM 400 CG2 VAL A 412 3.290 -7.142 5.902 1.00 24.13 C ATOM 0 H VAL A 412 3.036 -5.241 8.558 1.00 23.32 H new ATOM 0 HA VAL A 412 5.411 -6.362 7.190 1.00 63.34 H new ATOM 0 HB VAL A 412 2.832 -5.101 6.325 1.00 10.11 H new ATOM 0 HG11 VAL A 412 3.657 -5.225 4.003 1.00 64.34 H new ATOM 0 HG12 VAL A 412 4.592 -4.069 4.982 1.00 64.34 H new ATOM 0 HG13 VAL A 412 5.271 -5.671 4.607 1.00 64.34 H new ATOM 0 HG21 VAL A 412 2.613 -7.204 5.050 1.00 24.13 H new ATOM 0 HG22 VAL A 412 4.168 -7.760 5.714 1.00 24.13 H new ATOM 0 HG23 VAL A 412 2.780 -7.498 6.797 1.00 24.13 H new ATOM 410 N ARG A 413 4.708 -3.175 7.619 1.00 44.11 N ATOM 411 CA ARG A 413 5.299 -1.849 7.674 1.00 61.44 C ATOM 412 C ARG A 413 6.719 -1.924 8.240 1.00 31.23 C ATOM 413 O ARG A 413 7.620 -1.238 7.759 1.00 3.03 O ATOM 414 CB ARG A 413 4.460 -0.908 8.541 1.00 63.45 C ATOM 415 CG ARG A 413 2.975 -1.023 8.198 1.00 24.13 C ATOM 416 CD ARG A 413 2.222 0.252 8.583 1.00 72.43 C ATOM 417 NE ARG A 413 2.823 0.846 9.798 1.00 11.51 N ATOM 418 CZ ARG A 413 2.129 1.550 10.718 1.00 45.33 C ATOM 419 NH1 ARG A 413 0.802 1.755 10.567 1.00 23.35 N ATOM 420 NH2 ARG A 413 2.767 2.036 11.767 1.00 75.22 N ATOM 0 H ARG A 413 3.711 -3.206 7.832 1.00 44.11 H new ATOM 0 HA ARG A 413 5.330 -1.457 6.657 1.00 61.44 H new ATOM 0 HB2 ARG A 413 4.613 -1.145 9.594 1.00 63.45 H new ATOM 0 HB3 ARG A 413 4.792 0.120 8.394 1.00 63.45 H new ATOM 0 HG2 ARG A 413 2.858 -1.210 7.131 1.00 24.13 H new ATOM 0 HG3 ARG A 413 2.543 -1.876 8.720 1.00 24.13 H new ATOM 0 HD2 ARG A 413 2.258 0.968 7.762 1.00 72.43 H new ATOM 0 HD3 ARG A 413 1.171 0.024 8.761 1.00 72.43 H new ATOM 0 HE ARG A 413 3.823 0.716 9.950 1.00 11.51 H new ATOM 0 HH11 ARG A 413 0.317 1.377 9.753 1.00 23.35 H new ATOM 0 HH12 ARG A 413 0.285 2.288 11.267 1.00 23.35 H new ATOM 0 HH21 ARG A 413 3.769 1.877 11.873 1.00 75.22 H new ATOM 0 HH22 ARG A 413 2.258 2.570 12.471 1.00 75.22 H new ATOM 430 N GLU A 414 6.874 -2.764 9.252 1.00 63.44 N ATOM 431 CA GLU A 414 8.169 -2.937 9.889 1.00 62.12 C ATOM 432 C GLU A 414 9.114 -3.711 8.968 1.00 30.33 C ATOM 433 O GLU A 414 10.217 -3.252 8.676 1.00 73.11 O ATOM 434 CB GLU A 414 8.026 -3.638 11.241 1.00 1.44 C ATOM 435 CG GLU A 414 7.439 -2.692 12.290 1.00 22.03 C ATOM 436 CD GLU A 414 7.863 -3.106 13.701 1.00 60.45 C ATOM 437 OE1 GLU A 414 8.353 -4.228 13.898 1.00 15.44 O ATOM 438 OE2 GLU A 414 7.671 -2.213 14.611 1.00 41.21 O ATOM 0 H GLU A 414 6.125 -3.332 9.647 1.00 63.44 H new ATOM 0 HA GLU A 414 8.597 -1.951 10.071 1.00 62.12 H new ATOM 0 HB2 GLU A 414 7.384 -4.513 11.135 1.00 1.44 H new ATOM 0 HB3 GLU A 414 9.000 -3.996 11.574 1.00 1.44 H new ATOM 0 HG2 GLU A 414 7.770 -1.673 12.091 1.00 22.03 H new ATOM 0 HG3 GLU A 414 6.351 -2.694 12.218 1.00 22.03 H new ATOM 444 N LYS A 415 8.647 -4.874 8.535 1.00 54.10 N ATOM 445 CA LYS A 415 9.437 -5.715 7.652 1.00 12.41 C ATOM 446 C LYS A 415 9.905 -4.889 6.452 1.00 14.04 C ATOM 447 O LYS A 415 10.903 -5.224 5.815 1.00 5.14 O ATOM 448 CB LYS A 415 8.652 -6.970 7.267 1.00 2.25 C ATOM 449 CG LYS A 415 9.360 -8.234 7.763 1.00 41.52 C ATOM 450 CD LYS A 415 9.336 -9.330 6.699 1.00 33.53 C ATOM 451 CE LYS A 415 10.745 -9.613 6.172 1.00 35.40 C ATOM 452 NZ LYS A 415 10.971 -11.070 6.050 1.00 3.34 N ATOM 0 H LYS A 415 7.732 -5.253 8.779 1.00 54.10 H new ATOM 0 HA LYS A 415 10.332 -6.070 8.162 1.00 12.41 H new ATOM 0 HB2 LYS A 415 7.649 -6.920 7.691 1.00 2.25 H new ATOM 0 HB3 LYS A 415 8.538 -7.014 6.184 1.00 2.25 H new ATOM 0 HG2 LYS A 415 10.392 -7.998 8.024 1.00 41.52 H new ATOM 0 HG3 LYS A 415 8.876 -8.593 8.671 1.00 41.52 H new ATOM 0 HD2 LYS A 415 8.911 -10.241 7.120 1.00 33.53 H new ATOM 0 HD3 LYS A 415 8.689 -9.028 5.875 1.00 33.53 H new ATOM 0 HE2 LYS A 415 10.879 -9.136 5.201 1.00 35.40 H new ATOM 0 HE3 LYS A 415 11.485 -9.180 6.845 1.00 35.40 H new ATOM 0 HZ1 LYS A 415 11.932 -11.243 5.691 1.00 3.34 H new ATOM 0 HZ2 LYS A 415 10.864 -11.517 6.983 1.00 3.34 H new ATOM 0 HZ3 LYS A 415 10.277 -11.475 5.390 1.00 3.34 H new ATOM 461 N LEU A 416 9.162 -3.828 6.178 1.00 41.20 N ATOM 462 CA LEU A 416 9.488 -2.953 5.065 1.00 72.44 C ATOM 463 C LEU A 416 10.709 -2.105 5.429 1.00 63.02 C ATOM 464 O LEU A 416 11.541 -1.806 4.574 1.00 4.52 O ATOM 465 CB LEU A 416 8.266 -2.128 4.656 1.00 34.03 C ATOM 466 CG LEU A 416 7.052 -2.923 4.174 1.00 31.25 C ATOM 467 CD1 LEU A 416 6.063 -2.019 3.433 1.00 13.12 C ATOM 468 CD2 LEU A 416 7.482 -4.119 3.322 1.00 5.11 C ATOM 0 H LEU A 416 8.335 -3.554 6.708 1.00 41.20 H new ATOM 0 HA LEU A 416 9.757 -3.539 4.186 1.00 72.44 H new ATOM 0 HB2 LEU A 416 7.962 -1.519 5.507 1.00 34.03 H new ATOM 0 HB3 LEU A 416 8.564 -1.442 3.863 1.00 34.03 H new ATOM 0 HG LEU A 416 6.535 -3.319 5.048 1.00 31.25 H new ATOM 0 HD11 LEU A 416 5.209 -2.609 3.101 1.00 13.12 H new ATOM 0 HD12 LEU A 416 5.720 -1.229 4.102 1.00 13.12 H new ATOM 0 HD13 LEU A 416 6.555 -1.574 2.568 1.00 13.12 H new ATOM 0 HD21 LEU A 416 6.599 -4.667 2.992 1.00 5.11 H new ATOM 0 HD22 LEU A 416 8.036 -3.766 2.452 1.00 5.11 H new ATOM 0 HD23 LEU A 416 8.118 -4.777 3.914 1.00 5.11 H new ATOM 479 N GLU A 417 10.777 -1.740 6.702 1.00 12.30 N ATOM 480 CA GLU A 417 11.882 -0.933 7.191 1.00 33.44 C ATOM 481 C GLU A 417 13.142 -1.789 7.335 1.00 54.33 C ATOM 482 O GLU A 417 14.225 -1.266 7.593 1.00 65.22 O ATOM 483 CB GLU A 417 11.523 -0.256 8.515 1.00 25.11 C ATOM 484 CG GLU A 417 10.228 0.548 8.387 1.00 61.22 C ATOM 485 CD GLU A 417 10.353 1.902 9.092 1.00 1.54 C ATOM 486 OE1 GLU A 417 10.919 2.847 8.523 1.00 74.12 O ATOM 487 OE2 GLU A 417 9.834 1.951 10.272 1.00 33.53 O ATOM 0 H GLU A 417 10.085 -1.989 7.409 1.00 12.30 H new ATOM 0 HA GLU A 417 12.083 -0.147 6.463 1.00 33.44 H new ATOM 0 HB2 GLU A 417 11.412 -1.010 9.294 1.00 25.11 H new ATOM 0 HB3 GLU A 417 12.335 0.403 8.823 1.00 25.11 H new ATOM 0 HG2 GLU A 417 9.994 0.702 7.334 1.00 61.22 H new ATOM 0 HG3 GLU A 417 9.401 -0.016 8.818 1.00 61.22 H new ATOM 493 N ALA A 418 12.958 -3.089 7.163 1.00 45.24 N ATOM 494 CA ALA A 418 14.066 -4.023 7.271 1.00 53.14 C ATOM 495 C ALA A 418 14.644 -4.285 5.879 1.00 1.11 C ATOM 496 O ALA A 418 15.653 -4.975 5.742 1.00 53.23 O ATOM 497 CB ALA A 418 13.589 -5.304 7.957 1.00 32.40 C ATOM 0 H ALA A 418 12.058 -3.518 6.949 1.00 45.24 H new ATOM 0 HA ALA A 418 14.864 -3.604 7.884 1.00 53.14 H new ATOM 0 HB1 ALA A 418 14.420 -6.005 8.038 1.00 32.40 H new ATOM 0 HB2 ALA A 418 13.217 -5.066 8.953 1.00 32.40 H new ATOM 0 HB3 ALA A 418 12.790 -5.756 7.369 1.00 32.40 H new ATOM 503 N LEU A 419 13.978 -3.724 4.881 1.00 43.33 N ATOM 504 CA LEU A 419 14.411 -3.890 3.504 1.00 53.11 C ATOM 505 C LEU A 419 14.782 -2.524 2.924 1.00 20.34 C ATOM 506 O LEU A 419 15.812 -2.384 2.264 1.00 2.13 O ATOM 507 CB LEU A 419 13.348 -4.634 2.693 1.00 21.50 C ATOM 508 CG LEU A 419 12.720 -5.853 3.371 1.00 45.44 C ATOM 509 CD1 LEU A 419 11.308 -6.109 2.840 1.00 75.33 C ATOM 510 CD2 LEU A 419 13.618 -7.084 3.231 1.00 15.25 C ATOM 0 H LEU A 419 13.141 -3.153 4.999 1.00 43.33 H new ATOM 0 HA LEU A 419 15.305 -4.511 3.458 1.00 53.11 H new ATOM 0 HB2 LEU A 419 12.553 -3.932 2.443 1.00 21.50 H new ATOM 0 HB3 LEU A 419 13.796 -4.956 1.753 1.00 21.50 H new ATOM 0 HG LEU A 419 12.630 -5.642 4.437 1.00 45.44 H new ATOM 0 HD11 LEU A 419 10.884 -6.981 3.338 1.00 75.33 H new ATOM 0 HD12 LEU A 419 10.682 -5.239 3.037 1.00 75.33 H new ATOM 0 HD13 LEU A 419 11.350 -6.290 1.766 1.00 75.33 H new ATOM 0 HD21 LEU A 419 13.147 -7.936 3.722 1.00 15.25 H new ATOM 0 HD22 LEU A 419 13.764 -7.309 2.175 1.00 15.25 H new ATOM 0 HD23 LEU A 419 14.583 -6.885 3.697 1.00 15.25 H new ATOM 521 N GLY A 420 13.923 -1.550 3.189 1.00 41.15 N ATOM 522 CA GLY A 420 14.148 -0.201 2.701 1.00 75.32 C ATOM 523 C GLY A 420 12.941 0.695 2.989 1.00 32.30 C ATOM 524 O GLY A 420 13.022 1.608 3.810 1.00 42.10 O ATOM 0 H GLY A 420 13.070 -1.669 3.736 1.00 41.15 H new ATOM 0 HA2 GLY A 420 15.037 0.217 3.174 1.00 75.32 H new ATOM 0 HA3 GLY A 420 14.339 -0.226 1.628 1.00 75.32 H new ATOM 528 N VAL A 421 11.850 0.403 2.296 1.00 21.02 N ATOM 529 CA VAL A 421 10.628 1.170 2.467 1.00 53.04 C ATOM 530 C VAL A 421 10.319 1.303 3.960 1.00 0.12 C ATOM 531 O VAL A 421 10.569 0.380 4.733 1.00 63.04 O ATOM 532 CB VAL A 421 9.489 0.525 1.676 1.00 31.25 C ATOM 533 CG1 VAL A 421 9.547 -1.002 1.778 1.00 71.23 C ATOM 534 CG2 VAL A 421 8.131 1.054 2.138 1.00 12.44 C ATOM 0 H VAL A 421 11.787 -0.354 1.615 1.00 21.02 H new ATOM 0 HA VAL A 421 10.751 2.177 2.069 1.00 53.04 H new ATOM 0 HB VAL A 421 9.614 0.796 0.628 1.00 31.25 H new ATOM 0 HG11 VAL A 421 8.726 -1.436 1.207 1.00 71.23 H new ATOM 0 HG12 VAL A 421 10.496 -1.358 1.377 1.00 71.23 H new ATOM 0 HG13 VAL A 421 9.460 -1.300 2.823 1.00 71.23 H new ATOM 0 HG21 VAL A 421 7.339 0.579 1.559 1.00 12.44 H new ATOM 0 HG22 VAL A 421 7.993 0.828 3.195 1.00 12.44 H new ATOM 0 HG23 VAL A 421 8.091 2.133 1.990 1.00 12.44 H new ATOM 544 N PRO A 422 9.763 2.489 4.329 1.00 32.24 N ATOM 545 CA PRO A 422 9.418 2.754 5.714 1.00 45.02 C ATOM 546 C PRO A 422 8.151 1.997 6.118 1.00 22.24 C ATOM 547 O PRO A 422 7.750 1.048 5.445 1.00 33.04 O ATOM 548 CB PRO A 422 9.259 4.263 5.799 1.00 73.43 C ATOM 549 CG PRO A 422 9.065 4.742 4.369 1.00 54.43 C ATOM 550 CD PRO A 422 9.453 3.604 3.440 1.00 14.33 C ATOM 0 HA PRO A 422 10.181 2.407 6.411 1.00 45.02 H new ATOM 0 HB2 PRO A 422 8.405 4.531 6.420 1.00 73.43 H new ATOM 0 HB3 PRO A 422 10.138 4.724 6.250 1.00 73.43 H new ATOM 0 HG2 PRO A 422 8.028 5.035 4.202 1.00 54.43 H new ATOM 0 HG3 PRO A 422 9.680 5.621 4.174 1.00 54.43 H new ATOM 0 HD2 PRO A 422 8.639 3.353 2.760 1.00 14.33 H new ATOM 0 HD3 PRO A 422 10.312 3.871 2.825 1.00 14.33 H new ATOM 555 N ASP A 423 7.557 2.443 7.215 1.00 31.43 N ATOM 556 CA ASP A 423 6.344 1.819 7.716 1.00 52.43 C ATOM 557 C ASP A 423 5.186 2.131 6.767 1.00 51.34 C ATOM 558 O ASP A 423 4.159 1.454 6.791 1.00 12.51 O ATOM 559 CB ASP A 423 5.979 2.358 9.100 1.00 31.50 C ATOM 560 CG ASP A 423 6.246 3.850 9.304 1.00 61.52 C ATOM 561 OD1 ASP A 423 6.931 4.252 10.257 1.00 53.01 O ATOM 562 OD2 ASP A 423 5.710 4.626 8.424 1.00 34.13 O ATOM 0 H ASP A 423 7.893 3.229 7.771 1.00 31.43 H new ATOM 0 HA ASP A 423 6.519 0.745 7.782 1.00 52.43 H new ATOM 0 HB2 ASP A 423 4.921 2.166 9.281 1.00 31.50 H new ATOM 0 HB3 ASP A 423 6.538 1.798 9.850 1.00 31.50 H new ATOM 567 N GLY A 424 5.389 3.158 5.953 1.00 11.22 N ATOM 568 CA GLY A 424 4.374 3.567 4.997 1.00 35.11 C ATOM 569 C GLY A 424 3.073 3.945 5.708 1.00 42.24 C ATOM 570 O GLY A 424 2.929 5.068 6.191 1.00 62.01 O ATOM 0 H GLY A 424 6.241 3.718 5.936 1.00 11.22 H new ATOM 0 HA2 GLY A 424 4.736 4.416 4.417 1.00 35.11 H new ATOM 0 HA3 GLY A 424 4.186 2.757 4.292 1.00 35.11 H new ATOM 574 N ALA A 425 2.158 2.988 5.748 1.00 1.43 N ATOM 575 CA ALA A 425 0.874 3.206 6.391 1.00 42.31 C ATOM 576 C ALA A 425 -0.104 2.116 5.950 1.00 44.43 C ATOM 577 O ALA A 425 0.279 1.177 5.256 1.00 24.43 O ATOM 578 CB ALA A 425 0.369 4.612 6.058 1.00 44.15 C ATOM 0 H ALA A 425 2.281 2.059 5.345 1.00 1.43 H new ATOM 0 HA ALA A 425 0.972 3.142 7.475 1.00 42.31 H new ATOM 0 HB1 ALA A 425 -0.595 4.776 6.540 1.00 44.15 H new ATOM 0 HB2 ALA A 425 1.085 5.351 6.418 1.00 44.15 H new ATOM 0 HB3 ALA A 425 0.256 4.712 4.978 1.00 44.15 H new ATOM 584 N THR A 426 -1.351 2.277 6.371 1.00 41.55 N ATOM 585 CA THR A 426 -2.387 1.318 6.029 1.00 51.12 C ATOM 586 C THR A 426 -3.756 2.001 5.998 1.00 72.24 C ATOM 587 O THR A 426 -3.967 3.006 6.675 1.00 54.53 O ATOM 588 CB THR A 426 -2.308 0.160 7.024 1.00 25.41 C ATOM 589 OG1 THR A 426 -2.998 0.641 8.173 1.00 41.15 O ATOM 590 CG2 THR A 426 -0.882 -0.086 7.523 1.00 14.12 C ATOM 0 H THR A 426 -1.666 3.058 6.946 1.00 41.55 H new ATOM 0 HA THR A 426 -2.237 0.914 5.028 1.00 51.12 H new ATOM 0 HB THR A 426 -2.692 -0.747 6.556 1.00 25.41 H new ATOM 0 HG1 THR A 426 -2.996 -0.049 8.869 1.00 41.15 H new ATOM 0 HG21 THR A 426 -0.881 -0.918 8.227 1.00 14.12 H new ATOM 0 HG22 THR A 426 -0.237 -0.325 6.678 1.00 14.12 H new ATOM 0 HG23 THR A 426 -0.511 0.810 8.021 1.00 14.12 H new ATOM 598 N PHE A 427 -4.650 1.428 5.207 1.00 0.52 N ATOM 599 CA PHE A 427 -5.993 1.967 5.080 1.00 43.30 C ATOM 600 C PHE A 427 -7.039 0.955 5.553 1.00 32.02 C ATOM 601 O PHE A 427 -7.509 0.131 4.769 1.00 44.24 O ATOM 602 CB PHE A 427 -6.219 2.260 3.596 1.00 24.12 C ATOM 603 CG PHE A 427 -5.944 3.713 3.200 1.00 21.34 C ATOM 604 CD1 PHE A 427 -5.143 4.490 3.976 1.00 2.21 C ATOM 605 CD2 PHE A 427 -6.502 4.226 2.071 1.00 30.21 C ATOM 606 CE1 PHE A 427 -4.888 5.838 3.608 1.00 42.40 C ATOM 607 CE2 PHE A 427 -6.248 5.574 1.702 1.00 20.11 C ATOM 608 CZ PHE A 427 -5.445 6.351 2.479 1.00 40.42 C ATOM 0 H PHE A 427 -4.471 0.595 4.647 1.00 0.52 H new ATOM 0 HA PHE A 427 -6.092 2.864 5.692 1.00 43.30 H new ATOM 0 HB2 PHE A 427 -5.578 1.606 3.005 1.00 24.12 H new ATOM 0 HB3 PHE A 427 -7.249 2.013 3.340 1.00 24.12 H new ATOM 0 HD1 PHE A 427 -4.700 4.082 4.873 1.00 2.21 H new ATOM 0 HD2 PHE A 427 -7.138 3.608 1.455 1.00 30.21 H new ATOM 0 HE1 PHE A 427 -4.252 6.455 4.225 1.00 42.40 H new ATOM 0 HE2 PHE A 427 -6.692 5.982 0.806 1.00 20.11 H new ATOM 0 HZ PHE A 427 -5.250 7.376 2.199 1.00 40.42 H new ATOM 823 N GLN A 443 -6.978 8.113 -3.502 1.00 52.25 N ATOM 824 CA GLN A 443 -5.946 8.739 -4.312 1.00 35.04 C ATOM 825 C GLN A 443 -4.972 9.518 -3.427 1.00 2.04 C ATOM 826 O GLN A 443 -3.952 10.011 -3.904 1.00 61.05 O ATOM 827 CB GLN A 443 -6.563 9.648 -5.379 1.00 1.43 C ATOM 828 CG GLN A 443 -7.559 8.877 -6.247 1.00 4.14 C ATOM 829 CD GLN A 443 -8.497 9.833 -6.987 1.00 42.21 C ATOM 830 OE1 GLN A 443 -9.655 9.999 -6.642 1.00 45.32 O ATOM 831 NE2 GLN A 443 -7.931 10.450 -8.020 1.00 54.51 N ATOM 0 HA GLN A 443 -5.390 7.954 -4.825 1.00 35.04 H new ATOM 0 HB2 GLN A 443 -7.067 10.487 -4.900 1.00 1.43 H new ATOM 0 HB3 GLN A 443 -5.775 10.065 -6.006 1.00 1.43 H new ATOM 0 HG2 GLN A 443 -7.019 8.262 -6.967 1.00 4.14 H new ATOM 0 HG3 GLN A 443 -8.142 8.200 -5.623 1.00 4.14 H new ATOM 0 HE21 GLN A 443 -6.956 10.264 -8.253 1.00 54.51 H new ATOM 0 HE22 GLN A 443 -8.472 11.109 -8.579 1.00 54.51 H new ATOM 838 N ASP A 444 -5.321 9.602 -2.151 1.00 33.12 N ATOM 839 CA ASP A 444 -4.489 10.311 -1.194 1.00 12.42 C ATOM 840 C ASP A 444 -3.181 9.544 -0.994 1.00 24.10 C ATOM 841 O ASP A 444 -2.223 10.078 -0.438 1.00 45.34 O ATOM 842 CB ASP A 444 -5.185 10.421 0.165 1.00 43.30 C ATOM 843 CG ASP A 444 -4.876 11.698 0.948 1.00 52.41 C ATOM 844 OD1 ASP A 444 -3.993 11.715 1.818 1.00 63.41 O ATOM 845 OD2 ASP A 444 -5.595 12.720 0.631 1.00 15.12 O ATOM 0 H ASP A 444 -6.168 9.191 -1.758 1.00 33.12 H new ATOM 0 HA ASP A 444 -4.302 11.311 -1.586 1.00 12.42 H new ATOM 0 HB2 ASP A 444 -6.262 10.359 0.011 1.00 43.30 H new ATOM 0 HB3 ASP A 444 -4.900 9.562 0.773 1.00 43.30 H new ATOM 850 N ALA A 445 -3.183 8.303 -1.458 1.00 1.24 N ATOM 851 CA ALA A 445 -2.008 7.457 -1.337 1.00 22.32 C ATOM 852 C ALA A 445 -1.306 7.369 -2.695 1.00 5.42 C ATOM 853 O ALA A 445 -0.081 7.292 -2.760 1.00 71.45 O ATOM 854 CB ALA A 445 -2.419 6.084 -0.803 1.00 53.43 C ATOM 0 H ALA A 445 -3.980 7.863 -1.918 1.00 1.24 H new ATOM 0 HA ALA A 445 -1.300 7.884 -0.627 1.00 22.32 H new ATOM 0 HB1 ALA A 445 -1.537 5.450 -0.713 1.00 53.43 H new ATOM 0 HB2 ALA A 445 -2.885 6.199 0.176 1.00 53.43 H new ATOM 0 HB3 ALA A 445 -3.128 5.623 -1.491 1.00 53.43 H new ATOM 860 N ILE A 446 -2.115 7.382 -3.744 1.00 23.20 N ATOM 861 CA ILE A 446 -1.587 7.305 -5.095 1.00 13.44 C ATOM 862 C ILE A 446 -0.849 8.603 -5.425 1.00 40.44 C ATOM 863 O ILE A 446 -0.032 8.641 -6.345 1.00 43.52 O ATOM 864 CB ILE A 446 -2.701 6.962 -6.087 1.00 42.34 C ATOM 865 CG1 ILE A 446 -3.145 5.506 -5.929 1.00 14.12 C ATOM 866 CG2 ILE A 446 -2.275 7.281 -7.521 1.00 12.14 C ATOM 867 CD1 ILE A 446 -4.484 5.264 -6.630 1.00 20.03 C ATOM 0 H ILE A 446 -3.131 7.445 -3.686 1.00 23.20 H new ATOM 0 HA ILE A 446 -0.861 6.496 -5.174 1.00 13.44 H new ATOM 0 HB ILE A 446 -3.565 7.588 -5.862 1.00 42.34 H new ATOM 0 HG12 ILE A 446 -2.387 4.843 -6.346 1.00 14.12 H new ATOM 0 HG13 ILE A 446 -3.235 5.262 -4.871 1.00 14.12 H new ATOM 0 HG21 ILE A 446 -3.084 7.028 -8.206 1.00 12.14 H new ATOM 0 HG22 ILE A 446 -2.047 8.344 -7.605 1.00 12.14 H new ATOM 0 HG23 ILE A 446 -1.389 6.699 -7.775 1.00 12.14 H new ATOM 0 HD11 ILE A 446 -4.778 4.222 -6.503 1.00 20.03 H new ATOM 0 HD12 ILE A 446 -5.245 5.911 -6.194 1.00 20.03 H new ATOM 0 HD13 ILE A 446 -4.384 5.486 -7.692 1.00 20.03 H new ATOM 878 N ASP A 447 -1.162 9.636 -4.657 1.00 32.51 N ATOM 879 CA ASP A 447 -0.538 10.934 -4.855 1.00 30.13 C ATOM 880 C ASP A 447 0.513 11.163 -3.766 1.00 0.34 C ATOM 881 O ASP A 447 1.687 11.374 -4.066 1.00 21.25 O ATOM 882 CB ASP A 447 -1.568 12.060 -4.764 1.00 3.50 C ATOM 883 CG ASP A 447 -0.993 13.473 -4.884 1.00 14.40 C ATOM 884 OD1 ASP A 447 0.152 13.662 -5.315 1.00 75.54 O ATOM 885 OD2 ASP A 447 -1.789 14.419 -4.509 1.00 63.12 O ATOM 0 H ASP A 447 -1.840 9.601 -3.896 1.00 32.51 H new ATOM 0 HA ASP A 447 -0.083 10.941 -5.846 1.00 30.13 H new ATOM 0 HB2 ASP A 447 -2.310 11.918 -5.550 1.00 3.50 H new ATOM 0 HB3 ASP A 447 -2.092 11.977 -3.812 1.00 3.50 H new ATOM 890 N HIS A 448 0.051 11.113 -2.526 1.00 14.11 N ATOM 891 CA HIS A 448 0.935 11.312 -1.390 1.00 72.04 C ATOM 892 C HIS A 448 1.906 10.135 -1.283 1.00 31.41 C ATOM 893 O HIS A 448 3.118 10.313 -1.401 1.00 3.13 O ATOM 894 CB HIS A 448 0.132 11.536 -0.107 1.00 15.44 C ATOM 895 CG HIS A 448 -1.071 12.432 -0.286 1.00 3.13 C ATOM 896 ND1 HIS A 448 -1.965 12.699 0.737 1.00 51.32 N ATOM 897 CD2 HIS A 448 -1.518 13.118 -1.377 1.00 15.22 C ATOM 898 CE1 HIS A 448 -2.905 13.510 0.270 1.00 65.21 C ATOM 899 NE2 HIS A 448 -2.626 13.768 -1.039 1.00 3.01 N ATOM 0 H HIS A 448 -0.924 10.938 -2.283 1.00 14.11 H new ATOM 0 HA HIS A 448 1.527 12.215 -1.541 1.00 72.04 H new ATOM 0 HB2 HIS A 448 -0.200 10.571 0.275 1.00 15.44 H new ATOM 0 HB3 HIS A 448 0.787 11.970 0.649 1.00 15.44 H new ATOM 0 HD1 HIS A 448 -1.910 12.334 1.688 1.00 51.32 H new ATOM 0 HD2 HIS A 448 -1.050 13.131 -2.350 1.00 15.22 H new ATOM 0 HE1 HIS A 448 -3.744 13.898 0.829 1.00 65.21 H new ATOM 906 N SER A 449 1.338 8.959 -1.061 1.00 43.51 N ATOM 907 CA SER A 449 2.138 7.753 -0.937 1.00 23.21 C ATOM 908 C SER A 449 2.722 7.369 -2.297 1.00 63.40 C ATOM 909 O SER A 449 2.195 7.765 -3.337 1.00 43.43 O ATOM 910 CB SER A 449 1.309 6.599 -0.369 1.00 31.44 C ATOM 911 OG SER A 449 0.315 7.053 0.543 1.00 42.11 O ATOM 0 H SER A 449 0.333 8.816 -0.964 1.00 43.51 H new ATOM 0 HA SER A 449 2.954 7.954 -0.243 1.00 23.21 H new ATOM 0 HB2 SER A 449 0.831 6.060 -1.187 1.00 31.44 H new ATOM 0 HB3 SER A 449 1.969 5.893 0.136 1.00 31.44 H new ATOM 0 HG SER A 449 -0.193 6.286 0.881 1.00 42.11 H new ATOM 916 N ALA A 450 3.802 6.604 -2.248 1.00 2.35 N ATOM 917 CA ALA A 450 4.462 6.162 -3.464 1.00 24.43 C ATOM 918 C ALA A 450 3.529 5.228 -4.237 1.00 42.13 C ATOM 919 O ALA A 450 2.901 5.639 -5.212 1.00 62.11 O ATOM 920 CB ALA A 450 5.793 5.494 -3.110 1.00 21.12 C ATOM 0 H ALA A 450 4.237 6.279 -1.385 1.00 2.35 H new ATOM 0 HA ALA A 450 4.685 7.012 -4.109 1.00 24.43 H new ATOM 0 HB1 ALA A 450 6.288 5.162 -4.023 1.00 21.12 H new ATOM 0 HB2 ALA A 450 6.432 6.208 -2.590 1.00 21.12 H new ATOM 0 HB3 ALA A 450 5.609 4.635 -2.465 1.00 21.12 H new ATOM 926 N PHE A 451 3.465 3.988 -3.772 1.00 72.13 N ATOM 927 CA PHE A 451 2.619 2.994 -4.407 1.00 10.22 C ATOM 928 C PHE A 451 1.637 2.386 -3.402 1.00 22.52 C ATOM 929 O PHE A 451 1.959 2.245 -2.223 1.00 21.42 O ATOM 930 CB PHE A 451 3.541 1.891 -4.931 1.00 11.11 C ATOM 931 CG PHE A 451 4.583 2.379 -5.940 1.00 2.11 C ATOM 932 CD1 PHE A 451 4.282 3.397 -6.791 1.00 31.43 C ATOM 933 CD2 PHE A 451 5.811 1.796 -5.985 1.00 71.21 C ATOM 934 CE1 PHE A 451 5.250 3.849 -7.726 1.00 22.12 C ATOM 935 CE2 PHE A 451 6.778 2.248 -6.920 1.00 42.21 C ATOM 936 CZ PHE A 451 6.476 3.265 -7.772 1.00 31.41 C ATOM 0 H PHE A 451 3.986 3.650 -2.963 1.00 72.13 H new ATOM 0 HA PHE A 451 2.040 3.455 -5.207 1.00 10.22 H new ATOM 0 HB2 PHE A 451 4.055 1.430 -4.088 1.00 11.11 H new ATOM 0 HB3 PHE A 451 2.934 1.115 -5.397 1.00 11.11 H new ATOM 0 HD1 PHE A 451 3.307 3.861 -6.755 1.00 31.43 H new ATOM 0 HD2 PHE A 451 6.050 0.989 -5.309 1.00 71.21 H new ATOM 0 HE1 PHE A 451 5.012 4.658 -8.401 1.00 22.12 H new ATOM 0 HE2 PHE A 451 7.753 1.785 -6.955 1.00 42.21 H new ATOM 0 HZ PHE A 451 7.211 3.608 -8.485 1.00 31.41 H new ATOM 945 N ILE A 452 0.461 2.044 -3.905 1.00 34.22 N ATOM 946 CA ILE A 452 -0.570 1.454 -3.066 1.00 71.24 C ATOM 947 C ILE A 452 -0.263 -0.030 -2.856 1.00 53.42 C ATOM 948 O ILE A 452 0.142 -0.722 -3.790 1.00 54.11 O ATOM 949 CB ILE A 452 -1.956 1.720 -3.655 1.00 51.04 C ATOM 950 CG1 ILE A 452 -2.102 3.183 -4.076 1.00 72.30 C ATOM 951 CG2 ILE A 452 -3.055 1.291 -2.681 1.00 4.11 C ATOM 952 CD1 ILE A 452 -2.246 4.095 -2.855 1.00 25.45 C ATOM 0 H ILE A 452 0.198 2.164 -4.883 1.00 34.22 H new ATOM 0 HA ILE A 452 -0.574 1.920 -2.081 1.00 71.24 H new ATOM 0 HB ILE A 452 -2.067 1.115 -4.555 1.00 51.04 H new ATOM 0 HG12 ILE A 452 -1.232 3.485 -4.659 1.00 72.30 H new ATOM 0 HG13 ILE A 452 -2.973 3.294 -4.722 1.00 72.30 H new ATOM 0 HG21 ILE A 452 -4.031 1.490 -3.123 1.00 4.11 H new ATOM 0 HG22 ILE A 452 -2.962 0.225 -2.474 1.00 4.11 H new ATOM 0 HG23 ILE A 452 -2.956 1.851 -1.751 1.00 4.11 H new ATOM 0 HD11 ILE A 452 -2.348 5.129 -3.183 1.00 25.45 H new ATOM 0 HD12 ILE A 452 -3.130 3.806 -2.287 1.00 25.45 H new ATOM 0 HD13 ILE A 452 -1.362 4.000 -2.224 1.00 25.45 H new ATOM 963 N ILE A 453 -0.468 -0.476 -1.626 1.00 33.14 N ATOM 964 CA ILE A 453 -0.221 -1.865 -1.282 1.00 74.52 C ATOM 965 C ILE A 453 -1.547 -2.547 -0.939 1.00 54.55 C ATOM 966 O ILE A 453 -2.182 -2.210 0.059 1.00 73.21 O ATOM 967 CB ILE A 453 0.828 -1.965 -0.171 1.00 55.23 C ATOM 968 CG1 ILE A 453 2.176 -1.415 -0.640 1.00 42.22 C ATOM 969 CG2 ILE A 453 0.942 -3.398 0.348 1.00 20.31 C ATOM 970 CD1 ILE A 453 3.177 -1.362 0.516 1.00 53.21 C ATOM 0 H ILE A 453 -0.803 0.101 -0.854 1.00 33.14 H new ATOM 0 HA ILE A 453 0.200 -2.398 -2.135 1.00 74.52 H new ATOM 0 HB ILE A 453 0.501 -1.346 0.665 1.00 55.23 H new ATOM 0 HG12 ILE A 453 2.571 -2.042 -1.439 1.00 42.22 H new ATOM 0 HG13 ILE A 453 2.041 -0.416 -1.055 1.00 42.22 H new ATOM 0 HG21 ILE A 453 1.694 -3.441 1.136 1.00 20.31 H new ATOM 0 HG22 ILE A 453 -0.021 -3.718 0.747 1.00 20.31 H new ATOM 0 HG23 ILE A 453 1.234 -4.058 -0.468 1.00 20.31 H new ATOM 0 HD11 ILE A 453 4.127 -0.967 0.157 1.00 53.21 H new ATOM 0 HD12 ILE A 453 2.790 -0.715 1.303 1.00 53.21 H new ATOM 0 HD13 ILE A 453 3.328 -2.366 0.913 1.00 53.21 H new ATOM 981 N LEU A 454 -1.927 -3.492 -1.786 1.00 63.14 N ATOM 982 CA LEU A 454 -3.166 -4.224 -1.584 1.00 33.13 C ATOM 983 C LEU A 454 -2.890 -5.459 -0.723 1.00 72.35 C ATOM 984 O LEU A 454 -2.300 -6.430 -1.195 1.00 55.15 O ATOM 985 CB LEU A 454 -3.822 -4.545 -2.929 1.00 21.41 C ATOM 986 CG LEU A 454 -3.810 -3.421 -3.966 1.00 22.14 C ATOM 987 CD1 LEU A 454 -4.630 -3.806 -5.200 1.00 33.43 C ATOM 988 CD2 LEU A 454 -4.281 -2.102 -3.352 1.00 12.41 C ATOM 0 H LEU A 454 -1.399 -3.768 -2.614 1.00 63.14 H new ATOM 0 HA LEU A 454 -3.887 -3.612 -1.041 1.00 33.13 H new ATOM 0 HB2 LEU A 454 -3.321 -5.413 -3.357 1.00 21.41 H new ATOM 0 HB3 LEU A 454 -4.857 -4.833 -2.746 1.00 21.41 H new ATOM 0 HG LEU A 454 -2.782 -3.271 -4.296 1.00 22.14 H new ATOM 0 HD11 LEU A 454 -4.606 -2.990 -5.922 1.00 33.43 H new ATOM 0 HD12 LEU A 454 -4.208 -4.703 -5.652 1.00 33.43 H new ATOM 0 HD13 LEU A 454 -5.662 -3.999 -4.906 1.00 33.43 H new ATOM 0 HD21 LEU A 454 -4.263 -1.320 -4.111 1.00 12.41 H new ATOM 0 HD22 LEU A 454 -5.297 -2.218 -2.975 1.00 12.41 H new ATOM 0 HD23 LEU A 454 -3.619 -1.826 -2.531 1.00 12.41 H new ATOM 999 N LEU A 455 -3.331 -5.381 0.524 1.00 21.30 N ATOM 1000 CA LEU A 455 -3.139 -6.480 1.454 1.00 24.40 C ATOM 1001 C LEU A 455 -4.119 -7.605 1.119 1.00 51.11 C ATOM 1002 O LEU A 455 -5.154 -7.747 1.770 1.00 52.14 O ATOM 1003 CB LEU A 455 -3.242 -5.984 2.899 1.00 53.00 C ATOM 1004 CG LEU A 455 -2.524 -6.828 3.952 1.00 1.23 C ATOM 1005 CD1 LEU A 455 -1.141 -7.261 3.458 1.00 10.24 C ATOM 1006 CD2 LEU A 455 -2.451 -6.091 5.290 1.00 11.31 C ATOM 0 H LEU A 455 -3.820 -4.574 0.911 1.00 21.30 H new ATOM 0 HA LEU A 455 -2.135 -6.892 1.353 1.00 24.40 H new ATOM 0 HB2 LEU A 455 -2.845 -4.970 2.943 1.00 53.00 H new ATOM 0 HB3 LEU A 455 -4.297 -5.925 3.167 1.00 53.00 H new ATOM 0 HG LEU A 455 -3.105 -7.735 4.117 1.00 1.23 H new ATOM 0 HD11 LEU A 455 -0.651 -7.860 4.226 1.00 10.24 H new ATOM 0 HD12 LEU A 455 -1.248 -7.853 2.549 1.00 10.24 H new ATOM 0 HD13 LEU A 455 -0.537 -6.378 3.247 1.00 10.24 H new ATOM 0 HD21 LEU A 455 -1.935 -6.714 6.021 1.00 11.31 H new ATOM 0 HD22 LEU A 455 -1.906 -5.156 5.161 1.00 11.31 H new ATOM 0 HD23 LEU A 455 -3.460 -5.877 5.643 1.00 11.31 H new ATOM 1017 N LEU A 456 -3.762 -8.375 0.103 1.00 15.03 N ATOM 1018 CA LEU A 456 -4.598 -9.483 -0.329 1.00 31.12 C ATOM 1019 C LEU A 456 -4.720 -10.496 0.811 1.00 51.33 C ATOM 1020 O LEU A 456 -3.890 -11.393 0.942 1.00 72.24 O ATOM 1021 CB LEU A 456 -4.064 -10.083 -1.631 1.00 74.31 C ATOM 1022 CG LEU A 456 -3.682 -9.082 -2.723 1.00 20.23 C ATOM 1023 CD1 LEU A 456 -3.636 -9.759 -4.094 1.00 14.12 C ATOM 1024 CD2 LEU A 456 -4.621 -7.874 -2.713 1.00 64.23 C ATOM 0 H LEU A 456 -2.904 -8.254 -0.435 1.00 15.03 H new ATOM 0 HA LEU A 456 -5.605 -9.135 -0.557 1.00 31.12 H new ATOM 0 HB2 LEU A 456 -3.188 -10.687 -1.397 1.00 74.31 H new ATOM 0 HB3 LEU A 456 -4.819 -10.759 -2.033 1.00 74.31 H new ATOM 0 HG LEU A 456 -2.679 -8.712 -2.511 1.00 20.23 H new ATOM 0 HD11 LEU A 456 -3.362 -9.026 -4.853 1.00 14.12 H new ATOM 0 HD12 LEU A 456 -2.897 -10.560 -4.080 1.00 14.12 H new ATOM 0 HD13 LEU A 456 -4.616 -10.174 -4.328 1.00 14.12 H new ATOM 0 HD21 LEU A 456 -4.327 -7.178 -3.499 1.00 64.23 H new ATOM 0 HD22 LEU A 456 -5.644 -8.207 -2.887 1.00 64.23 H new ATOM 0 HD23 LEU A 456 -4.562 -7.375 -1.746 1.00 64.23 H new ATOM 1035 N THR A 457 -5.765 -10.320 1.606 1.00 64.24 N ATOM 1036 CA THR A 457 -6.008 -11.207 2.731 1.00 11.12 C ATOM 1037 C THR A 457 -7.466 -11.669 2.741 1.00 42.32 C ATOM 1038 O THR A 457 -8.354 -10.944 2.293 1.00 44.12 O ATOM 1039 CB THR A 457 -5.594 -10.476 4.010 1.00 32.40 C ATOM 1040 OG1 THR A 457 -6.436 -9.327 4.042 1.00 14.12 O ATOM 1041 CG2 THR A 457 -4.180 -9.898 3.921 1.00 31.34 C ATOM 0 H THR A 457 -6.453 -9.576 1.493 1.00 64.24 H new ATOM 0 HA THR A 457 -5.412 -12.116 2.652 1.00 11.12 H new ATOM 0 HB THR A 457 -5.655 -11.161 4.855 1.00 32.40 H new ATOM 0 HG1 THR A 457 -6.411 -8.928 4.937 1.00 14.12 H new ATOM 0 HG21 THR A 457 -3.935 -9.390 4.854 1.00 31.34 H new ATOM 0 HG22 THR A 457 -3.467 -10.705 3.749 1.00 31.34 H new ATOM 0 HG23 THR A 457 -4.129 -9.187 3.096 1.00 31.34 H new ATOM 1049 N SER A 458 -7.671 -12.873 3.257 1.00 73.40 N ATOM 1050 CA SER A 458 -9.006 -13.440 3.330 1.00 72.11 C ATOM 1051 C SER A 458 -9.912 -12.535 4.168 1.00 51.23 C ATOM 1052 O SER A 458 -11.134 -12.664 4.124 1.00 12.43 O ATOM 1053 CB SER A 458 -8.973 -14.850 3.921 1.00 61.23 C ATOM 1054 OG SER A 458 -10.245 -15.489 3.847 1.00 23.22 O ATOM 0 H SER A 458 -6.933 -13.471 3.629 1.00 73.40 H new ATOM 0 HA SER A 458 -9.405 -13.508 2.318 1.00 72.11 H new ATOM 0 HB2 SER A 458 -8.235 -15.449 3.388 1.00 61.23 H new ATOM 0 HB3 SER A 458 -8.652 -14.800 4.962 1.00 61.23 H new ATOM 0 HG SER A 458 -10.183 -16.388 4.233 1.00 23.22 H new ATOM 1059 N ASN A 459 -9.278 -11.639 4.910 1.00 25.30 N ATOM 1060 CA ASN A 459 -10.012 -10.713 5.757 1.00 32.34 C ATOM 1061 C ASN A 459 -10.329 -9.446 4.961 1.00 51.43 C ATOM 1062 O ASN A 459 -11.250 -8.707 5.305 1.00 41.33 O ATOM 1063 CB ASN A 459 -9.185 -10.310 6.978 1.00 60.14 C ATOM 1064 CG ASN A 459 -9.311 -11.352 8.092 1.00 43.32 C ATOM 1065 OD1 ASN A 459 -9.645 -12.502 7.866 1.00 11.03 O ATOM 1066 ND2 ASN A 459 -9.025 -10.884 9.303 1.00 63.22 N ATOM 0 H ASN A 459 -8.264 -11.534 4.943 1.00 25.30 H new ATOM 0 HA ASN A 459 -10.925 -11.208 6.088 1.00 32.34 H new ATOM 0 HB2 ASN A 459 -8.138 -10.201 6.693 1.00 60.14 H new ATOM 0 HB3 ASN A 459 -9.519 -9.339 7.344 1.00 60.14 H new ATOM 0 HD21 ASN A 459 -9.079 -11.500 10.114 1.00 63.22 H new ATOM 0 HD22 ASN A 459 -8.752 -9.908 9.421 1.00 63.22 H new ATOM 1072 N PHE A 460 -9.547 -9.231 3.913 1.00 71.00 N ATOM 1073 CA PHE A 460 -9.734 -8.065 3.066 1.00 64.05 C ATOM 1074 C PHE A 460 -10.213 -8.471 1.671 1.00 63.13 C ATOM 1075 O PHE A 460 -10.257 -9.655 1.347 1.00 25.12 O ATOM 1076 CB PHE A 460 -8.372 -7.378 2.945 1.00 21.32 C ATOM 1077 CG PHE A 460 -8.400 -6.077 2.141 1.00 31.11 C ATOM 1078 CD1 PHE A 460 -9.270 -5.088 2.478 1.00 13.04 C ATOM 1079 CD2 PHE A 460 -7.555 -5.910 1.088 1.00 52.02 C ATOM 1080 CE1 PHE A 460 -9.297 -3.880 1.732 1.00 35.32 C ATOM 1081 CE2 PHE A 460 -7.582 -4.703 0.341 1.00 75.35 C ATOM 1082 CZ PHE A 460 -8.452 -3.713 0.678 1.00 63.21 C ATOM 0 H PHE A 460 -8.783 -9.845 3.631 1.00 71.00 H new ATOM 0 HA PHE A 460 -10.486 -7.406 3.501 1.00 64.05 H new ATOM 0 HB2 PHE A 460 -7.993 -7.167 3.945 1.00 21.32 H new ATOM 0 HB3 PHE A 460 -7.669 -8.067 2.477 1.00 21.32 H new ATOM 0 HD1 PHE A 460 -9.941 -5.221 3.314 1.00 13.04 H new ATOM 0 HD2 PHE A 460 -6.864 -6.695 0.820 1.00 52.02 H new ATOM 0 HE1 PHE A 460 -9.988 -3.094 2.001 1.00 35.32 H new ATOM 0 HE2 PHE A 460 -6.911 -4.571 -0.495 1.00 75.35 H new ATOM 0 HZ PHE A 460 -8.472 -2.795 0.110 1.00 63.21 H new ATOM 1091 N ASP A 461 -10.561 -7.464 0.884 1.00 54.54 N ATOM 1092 CA ASP A 461 -11.035 -7.701 -0.470 1.00 65.23 C ATOM 1093 C ASP A 461 -10.010 -7.157 -1.467 1.00 41.33 C ATOM 1094 O ASP A 461 -9.497 -6.053 -1.296 1.00 41.02 O ATOM 1095 CB ASP A 461 -12.364 -6.985 -0.720 1.00 11.32 C ATOM 1096 CG ASP A 461 -13.081 -7.386 -2.011 1.00 5.24 C ATOM 1097 OD1 ASP A 461 -12.443 -7.679 -3.032 1.00 42.41 O ATOM 1098 OD2 ASP A 461 -14.370 -7.391 -1.939 1.00 31.24 O ATOM 0 H ASP A 461 -10.524 -6.482 1.157 1.00 54.54 H new ATOM 0 HA ASP A 461 -11.174 -8.775 -0.596 1.00 65.23 H new ATOM 0 HB2 ASP A 461 -13.028 -7.179 0.122 1.00 11.32 H new ATOM 0 HB3 ASP A 461 -12.182 -5.910 -0.742 1.00 11.32 H new ATOM 1103 N CYS A 462 -9.744 -7.958 -2.488 1.00 3.51 N ATOM 1104 CA CYS A 462 -8.790 -7.573 -3.512 1.00 13.12 C ATOM 1105 C CYS A 462 -9.558 -6.917 -4.661 1.00 1.34 C ATOM 1106 O CYS A 462 -9.201 -5.829 -5.111 1.00 61.41 O ATOM 1107 CB CYS A 462 -7.959 -8.766 -3.991 1.00 44.03 C ATOM 1108 SG CYS A 462 -7.559 -9.856 -2.576 1.00 55.32 S ATOM 0 H CYS A 462 -10.173 -8.873 -2.627 1.00 3.51 H new ATOM 0 HA CYS A 462 -8.077 -6.861 -3.097 1.00 13.12 H new ATOM 0 HB2 CYS A 462 -8.511 -9.325 -4.747 1.00 44.03 H new ATOM 0 HB3 CYS A 462 -7.041 -8.415 -4.462 1.00 44.03 H new ATOM 0 HG CYS A 462 -8.223 -10.968 -2.684 1.00 55.32 H new ATOM 1113 N ARG A 463 -10.600 -7.605 -5.104 1.00 44.12 N ATOM 1114 CA ARG A 463 -11.423 -7.103 -6.191 1.00 74.12 C ATOM 1115 C ARG A 463 -11.603 -5.588 -6.065 1.00 24.11 C ATOM 1116 O ARG A 463 -11.548 -4.868 -7.060 1.00 33.32 O ATOM 1117 CB ARG A 463 -12.798 -7.774 -6.198 1.00 63.45 C ATOM 1118 CG ARG A 463 -12.783 -9.043 -7.052 1.00 11.32 C ATOM 1119 CD ARG A 463 -13.918 -9.987 -6.651 1.00 1.25 C ATOM 1120 NE ARG A 463 -15.133 -9.684 -7.440 1.00 52.40 N ATOM 1121 CZ ARG A 463 -16.361 -10.166 -7.155 1.00 62.15 C ATOM 1122 NH1 ARG A 463 -16.548 -10.981 -6.094 1.00 60.34 N ATOM 1123 NH2 ARG A 463 -17.377 -9.829 -7.927 1.00 75.14 N ATOM 0 H ARG A 463 -10.893 -8.507 -4.729 1.00 44.12 H new ATOM 0 HA ARG A 463 -10.914 -7.336 -7.126 1.00 74.12 H new ATOM 0 HB2 ARG A 463 -13.091 -8.021 -5.178 1.00 63.45 H new ATOM 0 HB3 ARG A 463 -13.544 -7.080 -6.585 1.00 63.45 H new ATOM 0 HG2 ARG A 463 -12.880 -8.778 -8.105 1.00 11.32 H new ATOM 0 HG3 ARG A 463 -11.825 -9.551 -6.938 1.00 11.32 H new ATOM 0 HD2 ARG A 463 -13.617 -11.021 -6.816 1.00 1.25 H new ATOM 0 HD3 ARG A 463 -14.130 -9.882 -5.587 1.00 1.25 H new ATOM 0 HE ARG A 463 -15.036 -9.072 -8.250 1.00 52.40 H new ATOM 0 HH11 ARG A 463 -15.758 -11.236 -5.502 1.00 60.34 H new ATOM 0 HH12 ARG A 463 -17.479 -11.341 -5.885 1.00 60.34 H new ATOM 0 HH21 ARG A 463 -17.228 -9.213 -8.726 1.00 75.14 H new ATOM 0 HH22 ARG A 463 -18.311 -10.185 -7.725 1.00 75.14 H new ATOM 1133 N LEU A 464 -11.813 -5.150 -4.832 1.00 30.51 N ATOM 1134 CA LEU A 464 -12.002 -3.736 -4.562 1.00 72.35 C ATOM 1135 C LEU A 464 -10.643 -3.033 -4.582 1.00 53.34 C ATOM 1136 O LEU A 464 -10.505 -1.957 -5.164 1.00 65.22 O ATOM 1137 CB LEU A 464 -12.780 -3.537 -3.261 1.00 20.30 C ATOM 1138 CG LEU A 464 -13.162 -2.095 -2.921 1.00 22.30 C ATOM 1139 CD1 LEU A 464 -12.091 -1.435 -2.050 1.00 71.35 C ATOM 1140 CD2 LEU A 464 -13.446 -1.289 -4.189 1.00 14.22 C ATOM 0 H LEU A 464 -11.856 -5.751 -4.009 1.00 30.51 H new ATOM 0 HA LEU A 464 -12.611 -3.277 -5.341 1.00 72.35 H new ATOM 0 HB2 LEU A 464 -13.692 -4.131 -3.312 1.00 20.30 H new ATOM 0 HB3 LEU A 464 -12.185 -3.937 -2.440 1.00 20.30 H new ATOM 0 HG LEU A 464 -14.084 -2.114 -2.339 1.00 22.30 H new ATOM 0 HD11 LEU A 464 -12.387 -0.411 -1.823 1.00 71.35 H new ATOM 0 HD12 LEU A 464 -11.981 -1.995 -1.122 1.00 71.35 H new ATOM 0 HD13 LEU A 464 -11.141 -1.428 -2.584 1.00 71.35 H new ATOM 0 HD21 LEU A 464 -13.715 -0.268 -3.918 1.00 14.22 H new ATOM 0 HD22 LEU A 464 -12.556 -1.275 -4.818 1.00 14.22 H new ATOM 0 HD23 LEU A 464 -14.270 -1.749 -4.735 1.00 14.22 H new ATOM 1151 N SER A 465 -9.675 -3.667 -3.937 1.00 44.32 N ATOM 1152 CA SER A 465 -8.332 -3.115 -3.872 1.00 23.13 C ATOM 1153 C SER A 465 -7.865 -2.711 -5.271 1.00 54.20 C ATOM 1154 O SER A 465 -7.039 -1.811 -5.419 1.00 64.01 O ATOM 1155 CB SER A 465 -7.354 -4.116 -3.255 1.00 45.10 C ATOM 1156 OG SER A 465 -7.103 -5.219 -4.121 1.00 23.55 O ATOM 0 H SER A 465 -9.794 -4.558 -3.455 1.00 44.32 H new ATOM 0 HA SER A 465 -8.356 -2.232 -3.234 1.00 23.13 H new ATOM 0 HB2 SER A 465 -6.415 -3.612 -3.028 1.00 45.10 H new ATOM 0 HB3 SER A 465 -7.757 -4.481 -2.310 1.00 45.10 H new ATOM 0 HG SER A 465 -7.848 -5.317 -4.750 1.00 23.55 H new ATOM 1161 N LEU A 466 -8.413 -3.394 -6.265 1.00 25.10 N ATOM 1162 CA LEU A 466 -8.062 -3.118 -7.648 1.00 50.42 C ATOM 1163 C LEU A 466 -8.991 -2.033 -8.197 1.00 50.21 C ATOM 1164 O LEU A 466 -8.530 -0.981 -8.636 1.00 32.21 O ATOM 1165 CB LEU A 466 -8.069 -4.408 -8.471 1.00 61.41 C ATOM 1166 CG LEU A 466 -7.361 -4.343 -9.825 1.00 3.50 C ATOM 1167 CD1 LEU A 466 -6.711 -5.684 -10.170 1.00 64.42 C ATOM 1168 CD2 LEU A 466 -8.319 -3.872 -10.922 1.00 3.34 C ATOM 0 H LEU A 466 -9.098 -4.139 -6.140 1.00 25.10 H new ATOM 0 HA LEU A 466 -7.045 -2.732 -7.714 1.00 50.42 H new ATOM 0 HB2 LEU A 466 -7.605 -5.196 -7.878 1.00 61.41 H new ATOM 0 HB3 LEU A 466 -9.105 -4.703 -8.639 1.00 61.41 H new ATOM 0 HG LEU A 466 -6.561 -3.606 -9.756 1.00 3.50 H new ATOM 0 HD11 LEU A 466 -6.215 -5.610 -11.138 1.00 64.42 H new ATOM 0 HD12 LEU A 466 -5.978 -5.941 -9.405 1.00 64.42 H new ATOM 0 HD13 LEU A 466 -7.476 -6.459 -10.213 1.00 64.42 H new ATOM 0 HD21 LEU A 466 -7.791 -3.834 -11.875 1.00 3.34 H new ATOM 0 HD22 LEU A 466 -9.155 -4.567 -10.998 1.00 3.34 H new ATOM 0 HD23 LEU A 466 -8.694 -2.879 -10.676 1.00 3.34 H new ATOM 1179 N HIS A 467 -10.282 -2.327 -8.156 1.00 0.15 N ATOM 1180 CA HIS A 467 -11.280 -1.390 -8.645 1.00 22.44 C ATOM 1181 C HIS A 467 -10.968 0.011 -8.118 1.00 63.12 C ATOM 1182 O HIS A 467 -11.295 1.007 -8.762 1.00 72.43 O ATOM 1183 CB HIS A 467 -12.689 -1.860 -8.280 1.00 15.50 C ATOM 1184 CG HIS A 467 -13.767 -0.838 -8.556 1.00 20.35 C ATOM 1185 ND1 HIS A 467 -13.730 0.015 -9.646 1.00 44.13 N ATOM 1186 CD2 HIS A 467 -14.911 -0.543 -7.875 1.00 11.10 C ATOM 1187 CE1 HIS A 467 -14.807 0.785 -9.611 1.00 54.22 C ATOM 1188 NE2 HIS A 467 -15.537 0.439 -8.513 1.00 3.44 N ATOM 0 H HIS A 467 -10.661 -3.201 -7.792 1.00 0.15 H new ATOM 0 HA HIS A 467 -11.244 -1.348 -9.734 1.00 22.44 H new ATOM 0 HB2 HIS A 467 -12.913 -2.770 -8.837 1.00 15.50 H new ATOM 0 HB3 HIS A 467 -12.712 -2.120 -7.222 1.00 15.50 H new ATOM 0 HD2 HIS A 467 -15.250 -1.026 -6.971 1.00 11.10 H new ATOM 0 HE1 HIS A 467 -15.062 1.552 -10.327 1.00 54.22 H new ATOM 0 HE2 HIS A 467 -16.419 0.865 -8.228 1.00 3.44 H new ATOM 1195 N GLN A 468 -10.337 0.045 -6.953 1.00 72.32 N ATOM 1196 CA GLN A 468 -9.976 1.309 -6.334 1.00 13.11 C ATOM 1197 C GLN A 468 -8.767 1.921 -7.043 1.00 53.14 C ATOM 1198 O GLN A 468 -8.911 2.866 -7.819 1.00 25.55 O ATOM 1199 CB GLN A 468 -9.702 1.129 -4.839 1.00 43.41 C ATOM 1200 CG GLN A 468 -11.007 1.107 -4.042 1.00 4.30 C ATOM 1201 CD GLN A 468 -10.730 1.054 -2.538 1.00 21.11 C ATOM 1202 OE1 GLN A 468 -9.836 0.368 -2.070 1.00 5.04 O ATOM 1203 NE2 GLN A 468 -11.544 1.813 -1.810 1.00 31.11 N ATOM 0 H GLN A 468 -10.067 -0.783 -6.422 1.00 72.32 H new ATOM 0 HA GLN A 468 -10.817 1.994 -6.436 1.00 13.11 H new ATOM 0 HB2 GLN A 468 -9.156 0.200 -4.675 1.00 43.41 H new ATOM 0 HB3 GLN A 468 -9.067 1.940 -4.482 1.00 43.41 H new ATOM 0 HG2 GLN A 468 -11.595 1.994 -4.276 1.00 4.30 H new ATOM 0 HG3 GLN A 468 -11.603 0.243 -4.336 1.00 4.30 H new ATOM 0 HE21 GLN A 468 -12.272 2.363 -2.266 1.00 31.11 H new ATOM 0 HE22 GLN A 468 -11.440 1.845 -0.796 1.00 31.11 H new ATOM 1210 N VAL A 469 -7.604 1.361 -6.751 1.00 35.14 N ATOM 1211 CA VAL A 469 -6.370 1.841 -7.351 1.00 11.24 C ATOM 1212 C VAL A 469 -6.622 2.179 -8.822 1.00 70.32 C ATOM 1213 O VAL A 469 -5.973 3.063 -9.379 1.00 55.33 O ATOM 1214 CB VAL A 469 -5.257 0.808 -7.157 1.00 53.15 C ATOM 1215 CG1 VAL A 469 -5.500 -0.429 -8.023 1.00 33.14 C ATOM 1216 CG2 VAL A 469 -3.886 1.419 -7.447 1.00 70.25 C ATOM 0 H VAL A 469 -7.489 0.579 -6.107 1.00 35.14 H new ATOM 0 HA VAL A 469 -6.036 2.755 -6.859 1.00 11.24 H new ATOM 0 HB VAL A 469 -5.270 0.494 -6.113 1.00 53.15 H new ATOM 0 HG11 VAL A 469 -4.695 -1.147 -7.866 1.00 33.14 H new ATOM 0 HG12 VAL A 469 -6.451 -0.885 -7.748 1.00 33.14 H new ATOM 0 HG13 VAL A 469 -5.527 -0.138 -9.073 1.00 33.14 H new ATOM 0 HG21 VAL A 469 -3.113 0.664 -7.302 1.00 70.25 H new ATOM 0 HG22 VAL A 469 -3.857 1.775 -8.477 1.00 70.25 H new ATOM 0 HG23 VAL A 469 -3.709 2.254 -6.769 1.00 70.25 H new ATOM 1226 N ASN A 470 -7.563 1.456 -9.410 1.00 73.04 N ATOM 1227 CA ASN A 470 -7.908 1.669 -10.806 1.00 1.24 C ATOM 1228 C ASN A 470 -8.728 2.955 -10.933 1.00 2.22 C ATOM 1229 O ASN A 470 -8.234 3.963 -11.431 1.00 13.12 O ATOM 1230 CB ASN A 470 -8.753 0.513 -11.346 1.00 42.02 C ATOM 1231 CG ASN A 470 -7.865 -0.635 -11.830 1.00 70.30 C ATOM 1232 OD1 ASN A 470 -7.888 -1.026 -12.985 1.00 75.40 O ATOM 1233 ND2 ASN A 470 -7.085 -1.151 -10.886 1.00 24.23 N ATOM 0 H ASN A 470 -8.098 0.722 -8.946 1.00 73.04 H new ATOM 0 HA ASN A 470 -6.982 1.736 -11.377 1.00 1.24 H new ATOM 0 HB2 ASN A 470 -9.425 0.154 -10.567 1.00 42.02 H new ATOM 0 HB3 ASN A 470 -9.377 0.866 -12.167 1.00 42.02 H new ATOM 0 HD21 ASN A 470 -6.456 -1.922 -11.109 1.00 24.23 H new ATOM 0 HD22 ASN A 470 -7.115 -0.776 -9.938 1.00 24.23 H new ATOM 1239 N GLN A 471 -9.969 2.876 -10.474 1.00 1.20 N ATOM 1240 CA GLN A 471 -10.862 4.020 -10.532 1.00 44.11 C ATOM 1241 C GLN A 471 -10.114 5.297 -10.144 1.00 62.32 C ATOM 1242 O GLN A 471 -10.476 6.388 -10.579 1.00 53.22 O ATOM 1243 CB GLN A 471 -12.083 3.807 -9.635 1.00 4.25 C ATOM 1244 CG GLN A 471 -11.729 4.024 -8.163 1.00 3.13 C ATOM 1245 CD GLN A 471 -12.457 5.245 -7.597 1.00 3.25 C ATOM 1246 OE1 GLN A 471 -12.922 5.255 -6.470 1.00 25.04 O ATOM 1247 NE2 GLN A 471 -12.531 6.269 -8.441 1.00 74.43 N ATOM 0 H GLN A 471 -10.376 2.037 -10.061 1.00 1.20 H new ATOM 0 HA GLN A 471 -11.218 4.127 -11.557 1.00 44.11 H new ATOM 0 HB2 GLN A 471 -12.877 4.495 -9.927 1.00 4.25 H new ATOM 0 HB3 GLN A 471 -12.469 2.797 -9.774 1.00 4.25 H new ATOM 0 HG2 GLN A 471 -11.996 3.138 -7.587 1.00 3.13 H new ATOM 0 HG3 GLN A 471 -10.652 4.159 -8.060 1.00 3.13 H new ATOM 0 HE21 GLN A 471 -12.120 6.194 -9.371 1.00 74.43 H new ATOM 0 HE22 GLN A 471 -12.999 7.130 -8.158 1.00 74.43 H new ATOM 1254 N ALA A 472 -9.085 5.117 -9.328 1.00 65.15 N ATOM 1255 CA ALA A 472 -8.284 6.243 -8.877 1.00 22.34 C ATOM 1256 C ALA A 472 -7.243 6.583 -9.946 1.00 32.00 C ATOM 1257 O ALA A 472 -7.140 7.731 -10.373 1.00 55.53 O ATOM 1258 CB ALA A 472 -7.645 5.905 -7.528 1.00 34.43 C ATOM 0 H ALA A 472 -8.788 4.210 -8.968 1.00 65.15 H new ATOM 0 HA ALA A 472 -8.908 7.125 -8.732 1.00 22.34 H new ATOM 0 HB1 ALA A 472 -7.044 6.749 -7.189 1.00 34.43 H new ATOM 0 HB2 ALA A 472 -8.427 5.699 -6.797 1.00 34.43 H new ATOM 0 HB3 ALA A 472 -7.009 5.027 -7.637 1.00 34.43 H new ATOM 1264 N MET A 473 -6.498 5.564 -10.348 1.00 63.24 N ATOM 1265 CA MET A 473 -5.469 5.741 -11.358 1.00 11.43 C ATOM 1266 C MET A 473 -6.026 6.467 -12.585 1.00 1.43 C ATOM 1267 O MET A 473 -5.481 7.483 -13.009 1.00 54.24 O ATOM 1268 CB MET A 473 -4.924 4.375 -11.777 1.00 2.40 C ATOM 1269 CG MET A 473 -3.607 4.068 -11.062 1.00 34.34 C ATOM 1270 SD MET A 473 -2.876 2.587 -11.742 1.00 70.51 S ATOM 1271 CE MET A 473 -2.502 1.706 -10.235 1.00 71.43 C ATOM 0 H MET A 473 -6.587 4.612 -9.992 1.00 63.24 H new ATOM 0 HA MET A 473 -4.668 6.346 -10.933 1.00 11.43 H new ATOM 0 HB2 MET A 473 -5.656 3.601 -11.547 1.00 2.40 H new ATOM 0 HB3 MET A 473 -4.769 4.356 -12.856 1.00 2.40 H new ATOM 0 HG2 MET A 473 -2.920 4.907 -11.172 1.00 34.34 H new ATOM 0 HG3 MET A 473 -3.784 3.939 -9.994 1.00 34.34 H new ATOM 0 HE1 MET A 473 -1.466 1.368 -10.259 1.00 71.43 H new ATOM 0 HE2 MET A 473 -2.648 2.367 -9.381 1.00 71.43 H new ATOM 0 HE3 MET A 473 -3.163 0.844 -10.144 1.00 71.43 H new ATOM 1279 N MET A 474 -7.105 5.915 -13.121 1.00 11.10 N ATOM 1280 CA MET A 474 -7.742 6.497 -14.290 1.00 44.15 C ATOM 1281 C MET A 474 -8.360 7.857 -13.958 1.00 4.42 C ATOM 1282 O MET A 474 -8.812 8.572 -14.851 1.00 72.14 O ATOM 1283 CB MET A 474 -8.831 5.553 -14.802 1.00 35.41 C ATOM 1284 CG MET A 474 -10.036 5.542 -13.860 1.00 35.03 C ATOM 1285 SD MET A 474 -11.246 6.737 -14.404 1.00 1.11 S ATOM 1286 CE MET A 474 -11.719 7.438 -12.832 1.00 5.41 C ATOM 0 H MET A 474 -7.554 5.070 -12.767 1.00 11.10 H new ATOM 0 HA MET A 474 -6.983 6.642 -15.059 1.00 44.15 H new ATOM 0 HB2 MET A 474 -9.147 5.863 -15.798 1.00 35.41 H new ATOM 0 HB3 MET A 474 -8.428 4.544 -14.895 1.00 35.41 H new ATOM 0 HG2 MET A 474 -10.480 4.547 -13.836 1.00 35.03 H new ATOM 0 HG3 MET A 474 -9.716 5.773 -12.844 1.00 35.03 H new ATOM 0 HE1 MET A 474 -12.306 8.341 -12.998 1.00 5.41 H new ATOM 0 HE2 MET A 474 -12.315 6.715 -12.276 1.00 5.41 H new ATOM 0 HE3 MET A 474 -10.825 7.687 -12.261 1.00 5.41 H new ATOM 1294 N SER A 475 -8.363 8.172 -12.672 1.00 24.00 N ATOM 1295 CA SER A 475 -8.919 9.434 -12.211 1.00 24.02 C ATOM 1296 C SER A 475 -7.949 10.575 -12.515 1.00 75.32 C ATOM 1297 O SER A 475 -8.340 11.590 -13.091 1.00 43.03 O ATOM 1298 CB SER A 475 -9.226 9.384 -10.711 1.00 10.30 C ATOM 1299 OG SER A 475 -10.303 10.249 -10.360 1.00 60.55 O ATOM 0 H SER A 475 -7.989 7.576 -11.934 1.00 24.00 H new ATOM 0 HA SER A 475 -9.855 9.610 -12.742 1.00 24.02 H new ATOM 0 HB2 SER A 475 -9.473 8.362 -10.425 1.00 10.30 H new ATOM 0 HB3 SER A 475 -8.336 9.666 -10.149 1.00 10.30 H new ATOM 0 HG SER A 475 -10.470 10.189 -9.396 1.00 60.55 H new ATOM 1304 N ASN A 476 -6.701 10.372 -12.119 1.00 64.33 N ATOM 1305 CA ASN A 476 -5.672 11.373 -12.343 1.00 75.54 C ATOM 1306 C ASN A 476 -4.385 10.681 -12.799 1.00 63.24 C ATOM 1307 O ASN A 476 -3.572 10.269 -11.973 1.00 73.40 O ATOM 1308 CB ASN A 476 -5.363 12.144 -11.058 1.00 3.31 C ATOM 1309 CG ASN A 476 -5.056 11.187 -9.905 1.00 11.30 C ATOM 1310 OD1 ASN A 476 -5.737 10.199 -9.685 1.00 30.44 O ATOM 1311 ND2 ASN A 476 -3.995 11.535 -9.182 1.00 61.44 N ATOM 0 H ASN A 476 -6.379 9.529 -11.644 1.00 64.33 H new ATOM 0 HA ASN A 476 -6.036 12.067 -13.101 1.00 75.54 H new ATOM 0 HB2 ASN A 476 -4.513 12.806 -11.222 1.00 3.31 H new ATOM 0 HB3 ASN A 476 -6.212 12.775 -10.795 1.00 3.31 H new ATOM 0 HD21 ASN A 476 -3.708 10.961 -8.389 1.00 61.44 H new ATOM 0 HD22 ASN A 476 -3.469 12.375 -9.421 1.00 61.44 H new ATOM 1317 N LEU A 477 -4.242 10.576 -14.111 1.00 72.20 N ATOM 1318 CA LEU A 477 -3.068 9.941 -14.688 1.00 32.30 C ATOM 1319 C LEU A 477 -1.991 11.000 -14.935 1.00 24.15 C ATOM 1320 O LEU A 477 -0.804 10.740 -14.740 1.00 14.13 O ATOM 1321 CB LEU A 477 -3.447 9.146 -15.939 1.00 12.43 C ATOM 1322 CG LEU A 477 -4.540 8.090 -15.757 1.00 3.42 C ATOM 1323 CD1 LEU A 477 -5.209 7.757 -17.091 1.00 22.13 C ATOM 1324 CD2 LEU A 477 -3.987 6.842 -15.064 1.00 75.23 C ATOM 0 H LEU A 477 -4.919 10.920 -14.792 1.00 72.20 H new ATOM 0 HA LEU A 477 -2.648 9.214 -13.993 1.00 32.30 H new ATOM 0 HB2 LEU A 477 -3.772 9.848 -16.707 1.00 12.43 H new ATOM 0 HB3 LEU A 477 -2.552 8.652 -16.317 1.00 12.43 H new ATOM 0 HG LEU A 477 -5.310 8.504 -15.106 1.00 3.42 H new ATOM 0 HD11 LEU A 477 -5.981 7.004 -16.933 1.00 22.13 H new ATOM 0 HD12 LEU A 477 -5.660 8.658 -17.507 1.00 22.13 H new ATOM 0 HD13 LEU A 477 -4.463 7.371 -17.786 1.00 22.13 H new ATOM 0 HD21 LEU A 477 -4.784 6.108 -14.947 1.00 75.23 H new ATOM 0 HD22 LEU A 477 -3.186 6.415 -15.668 1.00 75.23 H new ATOM 0 HD23 LEU A 477 -3.597 7.113 -14.083 1.00 75.23 H new ATOM 1335 N THR A 478 -2.444 12.169 -15.360 1.00 73.51 N ATOM 1336 CA THR A 478 -1.533 13.268 -15.636 1.00 5.43 C ATOM 1337 C THR A 478 -0.839 13.720 -14.352 1.00 65.55 C ATOM 1338 O THR A 478 0.116 14.496 -14.397 1.00 11.00 O ATOM 1339 CB THR A 478 -2.329 14.381 -16.321 1.00 33.01 C ATOM 1340 OG1 THR A 478 -1.330 15.229 -16.880 1.00 35.12 O ATOM 1341 CG2 THR A 478 -3.062 15.277 -15.321 1.00 41.52 C ATOM 0 H THR A 478 -3.429 12.380 -15.520 1.00 73.51 H new ATOM 0 HA THR A 478 -0.733 12.959 -16.309 1.00 5.43 H new ATOM 0 HB THR A 478 -3.050 13.940 -17.010 1.00 33.01 H new ATOM 0 HG1 THR A 478 -0.502 15.145 -16.362 1.00 35.12 H new ATOM 0 HG21 THR A 478 -3.611 16.050 -15.859 1.00 41.52 H new ATOM 0 HG22 THR A 478 -3.759 14.676 -14.737 1.00 41.52 H new ATOM 0 HG23 THR A 478 -2.339 15.744 -14.653 1.00 41.52 H new ATOM 1349 N ARG A 479 -1.344 13.217 -13.234 1.00 74.25 N ATOM 1350 CA ARG A 479 -0.783 13.560 -11.938 1.00 51.44 C ATOM 1351 C ARG A 479 0.510 12.780 -11.696 1.00 23.34 C ATOM 1352 O ARG A 479 1.602 13.339 -11.781 1.00 52.05 O ATOM 1353 CB ARG A 479 -1.774 13.256 -10.811 1.00 32.23 C ATOM 1354 CG ARG A 479 -1.120 13.447 -9.442 1.00 14.41 C ATOM 1355 CD ARG A 479 -1.828 14.546 -8.646 1.00 32.11 C ATOM 1356 NE ARG A 479 -0.928 15.711 -8.482 1.00 4.52 N ATOM 1357 CZ ARG A 479 -0.774 16.682 -9.406 1.00 61.10 C ATOM 1358 NH1 ARG A 479 -1.458 16.638 -10.568 1.00 13.14 N ATOM 1359 NH2 ARG A 479 0.056 17.678 -9.154 1.00 12.13 N ATOM 0 H ARG A 479 -2.136 12.575 -13.199 1.00 74.25 H new ATOM 0 HA ARG A 479 -0.571 14.629 -11.941 1.00 51.44 H new ATOM 0 HB2 ARG A 479 -2.642 13.910 -10.898 1.00 32.23 H new ATOM 0 HB3 ARG A 479 -2.136 12.232 -10.906 1.00 32.23 H new ATOM 0 HG2 ARG A 479 -1.153 12.511 -8.885 1.00 14.41 H new ATOM 0 HG3 ARG A 479 -0.069 13.705 -9.570 1.00 14.41 H new ATOM 0 HD2 ARG A 479 -2.740 14.850 -9.161 1.00 32.11 H new ATOM 0 HD3 ARG A 479 -2.125 14.165 -7.669 1.00 32.11 H new ATOM 0 HE ARG A 479 -0.392 15.784 -7.617 1.00 4.52 H new ATOM 0 HH11 ARG A 479 -2.098 15.866 -10.754 1.00 13.14 H new ATOM 0 HH12 ARG A 479 -1.335 17.377 -11.260 1.00 13.14 H new ATOM 0 HH21 ARG A 479 0.568 17.704 -8.272 1.00 12.13 H new ATOM 0 HH22 ARG A 479 0.185 18.421 -9.841 1.00 12.13 H new ATOM 1369 N GLN A 480 0.344 11.500 -11.397 1.00 64.33 N ATOM 1370 CA GLN A 480 1.485 10.637 -11.141 1.00 45.25 C ATOM 1371 C GLN A 480 1.652 9.626 -12.277 1.00 55.12 C ATOM 1372 O GLN A 480 2.760 9.164 -12.543 1.00 12.15 O ATOM 1373 CB GLN A 480 1.343 9.928 -9.793 1.00 23.23 C ATOM 1374 CG GLN A 480 0.157 8.961 -9.804 1.00 51.44 C ATOM 1375 CD GLN A 480 -1.133 9.674 -9.394 1.00 2.31 C ATOM 1376 OE1 GLN A 480 -2.135 9.647 -10.087 1.00 55.14 O ATOM 1377 NE2 GLN A 480 -1.053 10.311 -8.228 1.00 10.20 N ATOM 0 H GLN A 480 -0.563 11.040 -11.326 1.00 64.33 H new ATOM 0 HA GLN A 480 2.381 11.256 -11.097 1.00 45.25 H new ATOM 0 HB2 GLN A 480 2.259 9.383 -9.567 1.00 23.23 H new ATOM 0 HB3 GLN A 480 1.208 10.666 -9.002 1.00 23.23 H new ATOM 0 HG2 GLN A 480 0.040 8.534 -10.800 1.00 51.44 H new ATOM 0 HG3 GLN A 480 0.352 8.133 -9.123 1.00 51.44 H new ATOM 0 HE21 GLN A 480 -0.183 10.294 -7.696 1.00 10.20 H new ATOM 0 HE22 GLN A 480 -1.862 10.816 -7.866 1.00 10.20 H new ATOM 1384 N GLY A 481 0.534 9.316 -12.919 1.00 72.15 N ATOM 1385 CA GLY A 481 0.544 8.369 -14.021 1.00 53.52 C ATOM 1386 C GLY A 481 1.467 7.187 -13.722 1.00 23.22 C ATOM 1387 O GLY A 481 2.502 7.024 -14.366 1.00 74.04 O ATOM 0 H GLY A 481 -0.383 9.704 -12.697 1.00 72.15 H new ATOM 0 HA2 GLY A 481 -0.468 8.007 -14.203 1.00 53.52 H new ATOM 0 HA3 GLY A 481 0.872 8.870 -14.932 1.00 53.52 H new ATOM 1391 N SER A 482 1.060 6.392 -12.743 1.00 70.34 N ATOM 1392 CA SER A 482 1.839 5.231 -12.350 1.00 2.54 C ATOM 1393 C SER A 482 0.951 3.983 -12.345 1.00 64.14 C ATOM 1394 O SER A 482 0.320 3.670 -11.336 1.00 23.43 O ATOM 1395 CB SER A 482 2.476 5.434 -10.974 1.00 13.54 C ATOM 1396 OG SER A 482 3.653 4.648 -10.810 1.00 21.53 O ATOM 0 H SER A 482 0.201 6.529 -12.211 1.00 70.34 H new ATOM 0 HA SER A 482 2.642 5.096 -13.075 1.00 2.54 H new ATOM 0 HB2 SER A 482 2.722 6.487 -10.840 1.00 13.54 H new ATOM 0 HB3 SER A 482 1.755 5.174 -10.199 1.00 13.54 H new ATOM 0 HG SER A 482 4.271 5.107 -10.204 1.00 21.53 H new ATOM 1401 N PRO A 483 0.930 3.288 -13.513 1.00 2.41 N ATOM 1402 CA PRO A 483 0.130 2.084 -13.653 1.00 2.33 C ATOM 1403 C PRO A 483 0.781 0.905 -12.925 1.00 65.14 C ATOM 1404 O PRO A 483 0.254 -0.205 -12.938 1.00 42.22 O ATOM 1405 CB PRO A 483 0.010 1.862 -15.152 1.00 24.13 C ATOM 1406 CG PRO A 483 1.126 2.677 -15.784 1.00 64.23 C ATOM 1407 CD PRO A 483 1.663 3.630 -14.728 1.00 3.23 C ATOM 0 HA PRO A 483 -0.856 2.180 -13.198 1.00 2.33 H new ATOM 0 HB2 PRO A 483 0.110 0.805 -15.400 1.00 24.13 H new ATOM 0 HB3 PRO A 483 -0.965 2.185 -15.518 1.00 24.13 H new ATOM 0 HG2 PRO A 483 1.919 2.022 -16.146 1.00 64.23 H new ATOM 0 HG3 PRO A 483 0.753 3.232 -16.645 1.00 64.23 H new ATOM 0 HD2 PRO A 483 2.737 3.505 -14.591 1.00 3.23 H new ATOM 0 HD3 PRO A 483 1.497 4.669 -15.011 1.00 3.23 H new ATOM 1412 N ASP A 484 1.918 1.190 -12.305 1.00 63.02 N ATOM 1413 CA ASP A 484 2.646 0.168 -11.573 1.00 2.32 C ATOM 1414 C ASP A 484 2.810 0.610 -10.117 1.00 63.33 C ATOM 1415 O ASP A 484 3.886 0.466 -9.538 1.00 12.44 O ATOM 1416 CB ASP A 484 4.042 -0.044 -12.163 1.00 2.41 C ATOM 1417 CG ASP A 484 4.680 1.205 -12.776 1.00 23.41 C ATOM 1418 OD1 ASP A 484 5.655 1.753 -12.240 1.00 40.22 O ATOM 1419 OD2 ASP A 484 4.128 1.620 -13.866 1.00 60.43 O ATOM 0 H ASP A 484 2.352 2.113 -12.295 1.00 63.02 H new ATOM 0 HA ASP A 484 2.082 -0.762 -11.640 1.00 2.32 H new ATOM 0 HB2 ASP A 484 4.698 -0.422 -11.379 1.00 2.41 H new ATOM 0 HB3 ASP A 484 3.983 -0.817 -12.929 1.00 2.41 H new ATOM 1424 N CYS A 485 1.729 1.141 -9.567 1.00 51.44 N ATOM 1425 CA CYS A 485 1.739 1.605 -8.190 1.00 22.43 C ATOM 1426 C CYS A 485 0.841 0.680 -7.364 1.00 33.41 C ATOM 1427 O CYS A 485 0.241 1.109 -6.381 1.00 42.33 O ATOM 1428 CB CYS A 485 1.304 3.067 -8.083 1.00 51.54 C ATOM 1429 SG CYS A 485 -0.417 3.253 -8.677 1.00 50.33 S ATOM 0 H CYS A 485 0.839 1.261 -10.050 1.00 51.44 H new ATOM 0 HA CYS A 485 2.756 1.567 -7.798 1.00 22.43 H new ATOM 0 HB2 CYS A 485 1.379 3.402 -7.049 1.00 51.54 H new ATOM 0 HB3 CYS A 485 1.971 3.697 -8.671 1.00 51.54 H new ATOM 0 HG CYS A 485 -0.418 3.388 -9.970 1.00 50.33 H new ATOM 1434 N VAL A 486 0.780 -0.571 -7.796 1.00 24.31 N ATOM 1435 CA VAL A 486 -0.033 -1.559 -7.109 1.00 24.01 C ATOM 1436 C VAL A 486 0.849 -2.739 -6.692 1.00 3.53 C ATOM 1437 O VAL A 486 1.500 -3.358 -7.531 1.00 24.32 O ATOM 1438 CB VAL A 486 -1.210 -1.977 -7.993 1.00 60.43 C ATOM 1439 CG1 VAL A 486 -2.354 -2.543 -7.152 1.00 51.51 C ATOM 1440 CG2 VAL A 486 -1.689 -0.807 -8.855 1.00 33.21 C ATOM 0 H VAL A 486 1.280 -0.922 -8.613 1.00 24.31 H new ATOM 0 HA VAL A 486 -0.461 -1.135 -6.201 1.00 24.01 H new ATOM 0 HB VAL A 486 -0.864 -2.766 -8.661 1.00 60.43 H new ATOM 0 HG11 VAL A 486 -3.177 -2.832 -7.805 1.00 51.51 H new ATOM 0 HG12 VAL A 486 -2.004 -3.416 -6.602 1.00 51.51 H new ATOM 0 HG13 VAL A 486 -2.698 -1.785 -6.448 1.00 51.51 H new ATOM 0 HG21 VAL A 486 -2.526 -1.130 -9.474 1.00 33.21 H new ATOM 0 HG22 VAL A 486 -2.009 0.012 -8.211 1.00 33.21 H new ATOM 0 HG23 VAL A 486 -0.874 -0.469 -9.495 1.00 33.21 H new ATOM 1450 N ILE A 487 0.841 -3.014 -5.396 1.00 1.40 N ATOM 1451 CA ILE A 487 1.630 -4.108 -4.857 1.00 75.33 C ATOM 1452 C ILE A 487 0.762 -4.945 -3.918 1.00 63.11 C ATOM 1453 O ILE A 487 0.598 -4.604 -2.747 1.00 33.22 O ATOM 1454 CB ILE A 487 2.908 -3.575 -4.203 1.00 12.14 C ATOM 1455 CG1 ILE A 487 3.435 -2.349 -4.951 1.00 33.51 C ATOM 1456 CG2 ILE A 487 3.963 -4.676 -4.087 1.00 74.43 C ATOM 1457 CD1 ILE A 487 3.991 -2.742 -6.323 1.00 72.24 C ATOM 0 H ILE A 487 0.300 -2.497 -4.703 1.00 1.40 H new ATOM 0 HA ILE A 487 1.960 -4.769 -5.658 1.00 75.33 H new ATOM 0 HB ILE A 487 2.667 -3.253 -3.190 1.00 12.14 H new ATOM 0 HG12 ILE A 487 2.633 -1.621 -5.074 1.00 33.51 H new ATOM 0 HG13 ILE A 487 4.216 -1.867 -4.362 1.00 33.51 H new ATOM 0 HG21 ILE A 487 4.861 -4.272 -3.619 1.00 74.43 H new ATOM 0 HG22 ILE A 487 3.572 -5.491 -3.478 1.00 74.43 H new ATOM 0 HG23 ILE A 487 4.209 -5.051 -5.081 1.00 74.43 H new ATOM 0 HD11 ILE A 487 4.359 -1.853 -6.835 1.00 72.24 H new ATOM 0 HD12 ILE A 487 4.808 -3.452 -6.195 1.00 72.24 H new ATOM 0 HD13 ILE A 487 3.201 -3.202 -6.917 1.00 72.24 H new ATOM 1468 N PRO A 488 0.212 -6.056 -4.479 1.00 4.00 N ATOM 1469 CA PRO A 488 -0.636 -6.945 -3.704 1.00 21.10 C ATOM 1470 C PRO A 488 0.197 -7.799 -2.746 1.00 42.30 C ATOM 1471 O PRO A 488 0.823 -8.772 -3.160 1.00 72.23 O ATOM 1472 CB PRO A 488 -1.386 -7.770 -4.735 1.00 14.23 C ATOM 1473 CG PRO A 488 -0.597 -7.641 -6.028 1.00 41.31 C ATOM 1474 CD PRO A 488 0.385 -6.492 -5.861 1.00 12.14 C ATOM 0 HA PRO A 488 -1.332 -6.408 -3.060 1.00 21.10 H new ATOM 0 HB2 PRO A 488 -1.458 -8.812 -4.424 1.00 14.23 H new ATOM 0 HB3 PRO A 488 -2.405 -7.404 -4.861 1.00 14.23 H new ATOM 0 HG2 PRO A 488 -0.067 -8.568 -6.246 1.00 41.31 H new ATOM 0 HG3 PRO A 488 -1.267 -7.452 -6.867 1.00 41.31 H new ATOM 0 HD2 PRO A 488 1.409 -6.815 -6.049 1.00 12.14 H new ATOM 0 HD3 PRO A 488 0.172 -5.684 -6.561 1.00 12.14 H new ATOM 1479 N PHE A 489 0.175 -7.403 -1.481 1.00 33.23 N ATOM 1480 CA PHE A 489 0.920 -8.120 -0.460 1.00 22.20 C ATOM 1481 C PHE A 489 0.189 -9.399 -0.043 1.00 60.05 C ATOM 1482 O PHE A 489 -1.009 -9.541 -0.290 1.00 72.33 O ATOM 1483 CB PHE A 489 1.027 -7.190 0.752 1.00 32.22 C ATOM 1484 CG PHE A 489 2.258 -7.445 1.624 1.00 14.34 C ATOM 1485 CD1 PHE A 489 3.422 -6.793 1.365 1.00 44.22 C ATOM 1486 CD2 PHE A 489 2.187 -8.326 2.658 1.00 43.44 C ATOM 1487 CE1 PHE A 489 4.563 -7.029 2.175 1.00 32.32 C ATOM 1488 CE2 PHE A 489 3.329 -8.563 3.469 1.00 33.10 C ATOM 1489 CZ PHE A 489 4.493 -7.908 3.210 1.00 25.34 C ATOM 0 H PHE A 489 -0.347 -6.595 -1.141 1.00 33.23 H new ATOM 0 HA PHE A 489 1.900 -8.403 -0.845 1.00 22.20 H new ATOM 0 HB2 PHE A 489 1.048 -6.157 0.404 1.00 32.22 H new ATOM 0 HB3 PHE A 489 0.132 -7.302 1.363 1.00 32.22 H new ATOM 0 HD1 PHE A 489 3.479 -6.095 0.543 1.00 44.22 H new ATOM 0 HD2 PHE A 489 1.262 -8.845 2.862 1.00 43.44 H new ATOM 0 HE1 PHE A 489 5.488 -6.510 1.969 1.00 32.32 H new ATOM 0 HE2 PHE A 489 3.273 -9.262 4.290 1.00 33.10 H new ATOM 0 HZ PHE A 489 5.362 -8.086 3.827 1.00 25.34 H new ATOM 1498 N LEU A 490 0.938 -10.295 0.580 1.00 70.13 N ATOM 1499 CA LEU A 490 0.377 -11.556 1.034 1.00 13.53 C ATOM 1500 C LEU A 490 0.983 -11.923 2.389 1.00 61.11 C ATOM 1501 O LEU A 490 2.084 -12.467 2.453 1.00 74.34 O ATOM 1502 CB LEU A 490 0.557 -12.637 -0.034 1.00 10.15 C ATOM 1503 CG LEU A 490 -0.310 -13.888 0.124 1.00 51.42 C ATOM 1504 CD1 LEU A 490 0.480 -15.026 0.770 1.00 63.35 C ATOM 1505 CD2 LEU A 490 -1.594 -13.570 0.896 1.00 32.34 C ATOM 0 H LEU A 490 1.930 -10.173 0.782 1.00 70.13 H new ATOM 0 HA LEU A 490 -0.699 -11.462 1.182 1.00 13.53 H new ATOM 0 HB2 LEU A 490 0.348 -12.195 -1.008 1.00 10.15 H new ATOM 0 HB3 LEU A 490 1.603 -12.943 -0.040 1.00 10.15 H new ATOM 0 HG LEU A 490 -0.606 -14.226 -0.869 1.00 51.42 H new ATOM 0 HD11 LEU A 490 -0.160 -15.902 0.870 1.00 63.35 H new ATOM 0 HD12 LEU A 490 1.338 -15.273 0.145 1.00 63.35 H new ATOM 0 HD13 LEU A 490 0.826 -14.715 1.756 1.00 63.35 H new ATOM 0 HD21 LEU A 490 -2.193 -14.475 0.995 1.00 32.34 H new ATOM 0 HD22 LEU A 490 -1.339 -13.194 1.887 1.00 32.34 H new ATOM 0 HD23 LEU A 490 -2.165 -12.814 0.357 1.00 32.34 H new ATOM 1516 N PRO A 491 0.220 -11.601 3.467 1.00 23.41 N ATOM 1517 CA PRO A 491 0.671 -11.890 4.817 1.00 24.21 C ATOM 1518 C PRO A 491 0.545 -13.383 5.130 1.00 23.21 C ATOM 1519 O PRO A 491 -0.326 -14.063 4.588 1.00 63.44 O ATOM 1520 CB PRO A 491 -0.192 -11.022 5.716 1.00 55.24 C ATOM 1521 CG PRO A 491 -1.401 -10.629 4.881 1.00 75.21 C ATOM 1522 CD PRO A 491 -1.090 -10.955 3.429 1.00 65.53 C ATOM 0 HA PRO A 491 1.727 -11.665 4.963 1.00 24.21 H new ATOM 0 HB2 PRO A 491 -0.495 -11.567 6.610 1.00 55.24 H new ATOM 0 HB3 PRO A 491 0.355 -10.140 6.050 1.00 55.24 H new ATOM 0 HG2 PRO A 491 -2.287 -11.171 5.213 1.00 75.21 H new ATOM 0 HG3 PRO A 491 -1.616 -9.567 4.996 1.00 75.21 H new ATOM 0 HD2 PRO A 491 -1.845 -11.615 3.001 1.00 65.53 H new ATOM 0 HD3 PRO A 491 -1.070 -10.054 2.816 1.00 65.53 H new ATOM 1527 N LEU A 492 1.427 -13.849 6.002 1.00 1.45 N ATOM 1528 CA LEU A 492 1.425 -15.249 6.392 1.00 24.23 C ATOM 1529 C LEU A 492 0.116 -15.570 7.117 1.00 22.11 C ATOM 1530 O LEU A 492 -0.248 -16.736 7.262 1.00 12.24 O ATOM 1531 CB LEU A 492 2.676 -15.580 7.207 1.00 72.42 C ATOM 1532 CG LEU A 492 3.968 -14.890 6.763 1.00 71.25 C ATOM 1533 CD1 LEU A 492 5.193 -15.576 7.369 1.00 62.41 C ATOM 1534 CD2 LEU A 492 4.051 -14.811 5.237 1.00 15.00 C ATOM 0 H LEU A 492 2.148 -13.282 6.449 1.00 1.45 H new ATOM 0 HA LEU A 492 1.468 -15.890 5.511 1.00 24.23 H new ATOM 0 HB2 LEU A 492 2.487 -15.318 8.248 1.00 72.42 H new ATOM 0 HB3 LEU A 492 2.833 -16.658 7.173 1.00 72.42 H new ATOM 0 HG LEU A 492 3.955 -13.867 7.138 1.00 71.25 H new ATOM 0 HD11 LEU A 492 6.097 -15.066 7.037 1.00 62.41 H new ATOM 0 HD12 LEU A 492 5.132 -15.536 8.457 1.00 62.41 H new ATOM 0 HD13 LEU A 492 5.224 -16.617 7.046 1.00 62.41 H new ATOM 0 HD21 LEU A 492 4.978 -14.316 4.948 1.00 15.00 H new ATOM 0 HD22 LEU A 492 4.031 -15.817 4.819 1.00 15.00 H new ATOM 0 HD23 LEU A 492 3.203 -14.243 4.855 1.00 15.00 H new ATOM 1545 N GLU A 493 -0.555 -14.514 7.555 1.00 24.10 N ATOM 1546 CA GLU A 493 -1.814 -14.668 8.263 1.00 24.15 C ATOM 1547 C GLU A 493 -2.923 -15.073 7.289 1.00 61.05 C ATOM 1548 O GLU A 493 -3.920 -15.670 7.692 1.00 70.33 O ATOM 1549 CB GLU A 493 -2.183 -13.387 9.012 1.00 62.14 C ATOM 1550 CG GLU A 493 -1.482 -13.326 10.371 1.00 20.42 C ATOM 1551 CD GLU A 493 -1.787 -14.574 11.202 1.00 73.21 C ATOM 1552 OE1 GLU A 493 -2.953 -14.984 11.300 1.00 33.05 O ATOM 1553 OE2 GLU A 493 -0.760 -15.123 11.759 1.00 12.02 O ATOM 0 H GLU A 493 -0.250 -13.548 7.433 1.00 24.10 H new ATOM 0 HA GLU A 493 -1.698 -15.460 9.003 1.00 24.15 H new ATOM 0 HB2 GLU A 493 -1.903 -12.519 8.415 1.00 62.14 H new ATOM 0 HB3 GLU A 493 -3.263 -13.342 9.153 1.00 62.14 H new ATOM 0 HG2 GLU A 493 -0.406 -13.236 10.225 1.00 20.42 H new ATOM 0 HG3 GLU A 493 -1.806 -12.437 10.912 1.00 20.42 H new ATOM 1559 N SER A 494 -2.712 -14.731 6.026 1.00 3.13 N ATOM 1560 CA SER A 494 -3.682 -15.052 4.993 1.00 60.31 C ATOM 1561 C SER A 494 -3.010 -15.852 3.876 1.00 31.21 C ATOM 1562 O SER A 494 -1.820 -16.155 3.953 1.00 45.02 O ATOM 1563 CB SER A 494 -4.321 -13.783 4.425 1.00 63.32 C ATOM 1564 OG SER A 494 -5.306 -13.243 5.303 1.00 30.34 O ATOM 0 H SER A 494 -1.884 -14.235 5.695 1.00 3.13 H new ATOM 0 HA SER A 494 -4.472 -15.656 5.440 1.00 60.31 H new ATOM 0 HB2 SER A 494 -3.547 -13.037 4.245 1.00 63.32 H new ATOM 0 HB3 SER A 494 -4.778 -14.007 3.461 1.00 63.32 H new ATOM 0 HG SER A 494 -4.868 -12.874 6.098 1.00 30.34 H new ATOM 1569 N SER A 495 -3.801 -16.172 2.863 1.00 32.33 N ATOM 1570 CA SER A 495 -3.298 -16.933 1.731 1.00 70.04 C ATOM 1571 C SER A 495 -4.017 -16.504 0.451 1.00 53.12 C ATOM 1572 O SER A 495 -5.110 -15.939 0.508 1.00 70.32 O ATOM 1573 CB SER A 495 -3.468 -18.437 1.958 1.00 15.54 C ATOM 1574 OG SER A 495 -2.290 -19.033 2.494 1.00 52.23 O ATOM 0 H SER A 495 -4.787 -15.918 2.802 1.00 32.33 H new ATOM 0 HA SER A 495 -2.233 -16.728 1.627 1.00 70.04 H new ATOM 0 HB2 SER A 495 -4.303 -18.609 2.638 1.00 15.54 H new ATOM 0 HB3 SER A 495 -3.721 -18.920 1.014 1.00 15.54 H new ATOM 0 HG SER A 495 -2.440 -19.992 2.626 1.00 52.23 H new ATOM 1579 N PRO A 496 -3.361 -16.795 -0.703 1.00 32.50 N ATOM 1580 CA PRO A 496 -3.925 -16.446 -1.995 1.00 14.14 C ATOM 1581 C PRO A 496 -5.069 -17.392 -2.367 1.00 72.11 C ATOM 1582 O PRO A 496 -5.975 -17.015 -3.109 1.00 43.45 O ATOM 1583 CB PRO A 496 -2.758 -16.514 -2.967 1.00 0.01 C ATOM 1584 CG PRO A 496 -1.689 -17.345 -2.276 1.00 2.41 C ATOM 1585 CD PRO A 496 -2.066 -17.463 -0.809 1.00 24.23 C ATOM 0 HA PRO A 496 -4.374 -15.453 -2.003 1.00 14.14 H new ATOM 0 HB2 PRO A 496 -3.060 -16.972 -3.909 1.00 0.01 H new ATOM 0 HB3 PRO A 496 -2.386 -15.517 -3.202 1.00 0.01 H new ATOM 0 HG2 PRO A 496 -1.619 -18.332 -2.733 1.00 2.41 H new ATOM 0 HG3 PRO A 496 -0.712 -16.874 -2.382 1.00 2.41 H new ATOM 0 HD2 PRO A 496 -2.132 -18.506 -0.500 1.00 24.23 H new ATOM 0 HD3 PRO A 496 -1.322 -16.988 -0.170 1.00 24.23 H new ATOM 1590 N ALA A 497 -4.989 -18.602 -1.835 1.00 2.33 N ATOM 1591 CA ALA A 497 -6.007 -19.605 -2.103 1.00 43.30 C ATOM 1592 C ALA A 497 -7.342 -19.140 -1.516 1.00 73.13 C ATOM 1593 O ALA A 497 -8.403 -19.460 -2.048 1.00 51.53 O ATOM 1594 CB ALA A 497 -5.558 -20.953 -1.534 1.00 71.22 C ATOM 0 H ALA A 497 -4.236 -18.911 -1.220 1.00 2.33 H new ATOM 0 HA ALA A 497 -6.146 -19.734 -3.176 1.00 43.30 H new ATOM 0 HB1 ALA A 497 -6.321 -21.705 -1.735 1.00 71.22 H new ATOM 0 HB2 ALA A 497 -4.621 -21.252 -2.004 1.00 71.22 H new ATOM 0 HB3 ALA A 497 -5.412 -20.863 -0.458 1.00 71.22 H new ATOM 1600 N GLN A 498 -7.244 -18.394 -0.426 1.00 64.34 N ATOM 1601 CA GLN A 498 -8.430 -17.881 0.239 1.00 11.23 C ATOM 1602 C GLN A 498 -9.115 -16.828 -0.633 1.00 53.24 C ATOM 1603 O GLN A 498 -10.241 -16.420 -0.352 1.00 31.41 O ATOM 1604 CB GLN A 498 -8.083 -17.312 1.616 1.00 55.23 C ATOM 1605 CG GLN A 498 -6.970 -18.122 2.281 1.00 32.01 C ATOM 1606 CD GLN A 498 -7.108 -18.097 3.806 1.00 31.23 C ATOM 1607 OE1 GLN A 498 -6.896 -17.088 4.457 1.00 73.13 O ATOM 1608 NE2 GLN A 498 -7.477 -19.260 4.333 1.00 24.24 N ATOM 0 H GLN A 498 -6.362 -18.132 0.014 1.00 64.34 H new ATOM 0 HA GLN A 498 -9.125 -18.707 0.388 1.00 11.23 H new ATOM 0 HB2 GLN A 498 -7.770 -16.273 1.515 1.00 55.23 H new ATOM 0 HB3 GLN A 498 -8.970 -17.318 2.250 1.00 55.23 H new ATOM 0 HG2 GLN A 498 -7.004 -19.152 1.926 1.00 32.01 H new ATOM 0 HG3 GLN A 498 -6.000 -17.717 1.994 1.00 32.01 H new ATOM 0 HE21 GLN A 498 -7.638 -20.066 3.729 1.00 24.24 H new ATOM 0 HE22 GLN A 498 -7.599 -19.347 5.342 1.00 24.24 H new ATOM 1615 N LEU A 499 -8.407 -16.418 -1.676 1.00 51.41 N ATOM 1616 CA LEU A 499 -8.934 -15.420 -2.592 1.00 22.13 C ATOM 1617 C LEU A 499 -9.519 -16.120 -3.820 1.00 31.11 C ATOM 1618 O LEU A 499 -9.259 -17.301 -4.049 1.00 41.53 O ATOM 1619 CB LEU A 499 -7.860 -14.384 -2.929 1.00 51.01 C ATOM 1620 CG LEU A 499 -6.858 -14.070 -1.817 1.00 31.43 C ATOM 1621 CD1 LEU A 499 -5.875 -12.982 -2.255 1.00 44.10 C ATOM 1622 CD2 LEU A 499 -7.577 -13.704 -0.517 1.00 50.11 C ATOM 0 H LEU A 499 -7.474 -16.759 -1.907 1.00 51.41 H new ATOM 0 HA LEU A 499 -9.746 -14.864 -2.124 1.00 22.13 H new ATOM 0 HB2 LEU A 499 -7.307 -14.734 -3.801 1.00 51.01 H new ATOM 0 HB3 LEU A 499 -8.356 -13.457 -3.217 1.00 51.01 H new ATOM 0 HG LEU A 499 -6.275 -14.970 -1.619 1.00 31.43 H new ATOM 0 HD11 LEU A 499 -5.174 -12.778 -1.446 1.00 44.10 H new ATOM 0 HD12 LEU A 499 -5.326 -13.320 -3.134 1.00 44.10 H new ATOM 0 HD13 LEU A 499 -6.424 -12.072 -2.497 1.00 44.10 H new ATOM 0 HD21 LEU A 499 -6.841 -13.486 0.257 1.00 50.11 H new ATOM 0 HD22 LEU A 499 -8.202 -12.826 -0.682 1.00 50.11 H new ATOM 0 HD23 LEU A 499 -8.201 -14.539 -0.199 1.00 50.11 H new ATOM 1633 N SER A 500 -10.298 -15.362 -4.578 1.00 2.34 N ATOM 1634 CA SER A 500 -10.924 -15.896 -5.777 1.00 22.23 C ATOM 1635 C SER A 500 -9.852 -16.268 -6.804 1.00 44.24 C ATOM 1636 O SER A 500 -8.727 -15.775 -6.740 1.00 44.24 O ATOM 1637 CB SER A 500 -11.909 -14.891 -6.377 1.00 65.21 C ATOM 1638 OG SER A 500 -12.990 -15.538 -7.043 1.00 11.01 O ATOM 0 H SER A 500 -10.510 -14.383 -4.386 1.00 2.34 H new ATOM 0 HA SER A 500 -11.482 -16.791 -5.503 1.00 22.23 H new ATOM 0 HB2 SER A 500 -12.301 -14.251 -5.587 1.00 65.21 H new ATOM 0 HB3 SER A 500 -11.384 -14.244 -7.080 1.00 65.21 H new ATOM 0 HG SER A 500 -13.598 -14.863 -7.411 1.00 11.01 H new ATOM 1643 N SER A 501 -10.240 -17.133 -7.729 1.00 24.13 N ATOM 1644 CA SER A 501 -9.327 -17.576 -8.768 1.00 13.35 C ATOM 1645 C SER A 501 -9.034 -16.426 -9.733 1.00 44.31 C ATOM 1646 O SER A 501 -8.127 -16.518 -10.559 1.00 63.15 O ATOM 1647 CB SER A 501 -9.899 -18.774 -9.531 1.00 4.01 C ATOM 1648 OG SER A 501 -9.686 -20.000 -8.835 1.00 43.11 O ATOM 0 H SER A 501 -11.174 -17.539 -7.781 1.00 24.13 H new ATOM 0 HA SER A 501 -8.398 -17.891 -8.294 1.00 13.35 H new ATOM 0 HB2 SER A 501 -10.968 -18.627 -9.689 1.00 4.01 H new ATOM 0 HB3 SER A 501 -9.436 -18.831 -10.516 1.00 4.01 H new ATOM 0 HG SER A 501 -10.066 -20.740 -9.352 1.00 43.11 H new ATOM 1653 N ASP A 502 -9.819 -15.367 -9.596 1.00 72.43 N ATOM 1654 CA ASP A 502 -9.654 -14.199 -10.445 1.00 71.31 C ATOM 1655 C ASP A 502 -8.535 -13.319 -9.884 1.00 43.41 C ATOM 1656 O ASP A 502 -7.803 -12.683 -10.641 1.00 24.02 O ATOM 1657 CB ASP A 502 -10.936 -13.365 -10.487 1.00 71.21 C ATOM 1658 CG ASP A 502 -12.208 -14.149 -10.813 1.00 71.10 C ATOM 1659 OD1 ASP A 502 -13.305 -13.812 -10.344 1.00 40.33 O ATOM 1660 OD2 ASP A 502 -12.040 -15.160 -11.597 1.00 62.42 O ATOM 0 H ASP A 502 -10.571 -15.293 -8.910 1.00 72.43 H new ATOM 0 HA ASP A 502 -9.414 -14.544 -11.451 1.00 71.31 H new ATOM 0 HB2 ASP A 502 -11.066 -12.877 -9.521 1.00 71.21 H new ATOM 0 HB3 ASP A 502 -10.814 -12.576 -11.229 1.00 71.21 H new ATOM 1665 N THR A 503 -8.440 -13.310 -8.563 1.00 21.24 N ATOM 1666 CA THR A 503 -7.423 -12.519 -7.892 1.00 21.42 C ATOM 1667 C THR A 503 -6.068 -12.698 -8.580 1.00 72.35 C ATOM 1668 O THR A 503 -5.209 -11.820 -8.505 1.00 42.22 O ATOM 1669 CB THR A 503 -7.410 -12.920 -6.415 1.00 71.21 C ATOM 1670 OG1 THR A 503 -8.494 -12.187 -5.848 1.00 63.35 O ATOM 1671 CG2 THR A 503 -6.178 -12.394 -5.676 1.00 21.41 C ATOM 0 H THR A 503 -9.051 -13.838 -7.939 1.00 21.24 H new ATOM 0 HA THR A 503 -7.647 -11.454 -7.954 1.00 21.42 H new ATOM 0 HB THR A 503 -7.446 -14.006 -6.333 1.00 71.21 H new ATOM 0 HG1 THR A 503 -8.299 -11.988 -4.908 1.00 63.35 H new ATOM 0 HG21 THR A 503 -6.219 -12.707 -4.633 1.00 21.41 H new ATOM 0 HG22 THR A 503 -5.277 -12.795 -6.140 1.00 21.41 H new ATOM 0 HG23 THR A 503 -6.160 -11.305 -5.728 1.00 21.41 H new ATOM 1679 N ALA A 504 -5.918 -13.839 -9.235 1.00 13.42 N ATOM 1680 CA ALA A 504 -4.683 -14.144 -9.938 1.00 42.34 C ATOM 1681 C ALA A 504 -4.580 -13.264 -11.185 1.00 11.24 C ATOM 1682 O ALA A 504 -3.521 -12.708 -11.471 1.00 41.14 O ATOM 1683 CB ALA A 504 -4.640 -15.636 -10.271 1.00 63.32 C ATOM 0 H ALA A 504 -6.632 -14.565 -9.294 1.00 13.42 H new ATOM 0 HA ALA A 504 -3.820 -13.926 -9.309 1.00 42.34 H new ATOM 0 HB1 ALA A 504 -3.714 -15.865 -10.798 1.00 63.32 H new ATOM 0 HB2 ALA A 504 -4.685 -16.216 -9.349 1.00 63.32 H new ATOM 0 HB3 ALA A 504 -5.490 -15.892 -10.903 1.00 63.32 H new ATOM 1689 N SER A 505 -5.694 -13.166 -11.895 1.00 5.44 N ATOM 1690 CA SER A 505 -5.743 -12.364 -13.104 1.00 32.51 C ATOM 1691 C SER A 505 -5.898 -10.885 -12.746 1.00 51.43 C ATOM 1692 O SER A 505 -5.716 -10.013 -13.594 1.00 35.24 O ATOM 1693 CB SER A 505 -6.887 -12.811 -14.018 1.00 62.14 C ATOM 1694 OG SER A 505 -7.235 -11.809 -14.968 1.00 55.20 O ATOM 0 H SER A 505 -6.570 -13.630 -11.655 1.00 5.44 H new ATOM 0 HA SER A 505 -4.807 -12.505 -13.644 1.00 32.51 H new ATOM 0 HB2 SER A 505 -6.597 -13.722 -14.542 1.00 62.14 H new ATOM 0 HB3 SER A 505 -7.760 -13.055 -13.413 1.00 62.14 H new ATOM 0 HG SER A 505 -7.967 -12.134 -15.533 1.00 55.20 H new ATOM 1699 N LEU A 506 -6.232 -10.647 -11.486 1.00 53.42 N ATOM 1700 CA LEU A 506 -6.414 -9.288 -11.005 1.00 44.44 C ATOM 1701 C LEU A 506 -5.046 -8.666 -10.716 1.00 13.41 C ATOM 1702 O LEU A 506 -4.863 -7.460 -10.872 1.00 71.23 O ATOM 1703 CB LEU A 506 -7.365 -9.266 -9.805 1.00 61.21 C ATOM 1704 CG LEU A 506 -8.787 -9.764 -10.068 1.00 35.04 C ATOM 1705 CD1 LEU A 506 -9.502 -10.099 -8.759 1.00 44.53 C ATOM 1706 CD2 LEU A 506 -9.574 -8.757 -10.910 1.00 13.13 C ATOM 0 H LEU A 506 -6.381 -11.372 -10.784 1.00 53.42 H new ATOM 0 HA LEU A 506 -6.889 -8.674 -11.770 1.00 44.44 H new ATOM 0 HB2 LEU A 506 -6.930 -9.872 -9.011 1.00 61.21 H new ATOM 0 HB3 LEU A 506 -7.423 -8.244 -9.431 1.00 61.21 H new ATOM 0 HG LEU A 506 -8.724 -10.687 -10.645 1.00 35.04 H new ATOM 0 HD11 LEU A 506 -10.511 -10.451 -8.975 1.00 44.53 H new ATOM 0 HD12 LEU A 506 -8.951 -10.878 -8.233 1.00 44.53 H new ATOM 0 HD13 LEU A 506 -9.555 -9.207 -8.135 1.00 44.53 H new ATOM 0 HD21 LEU A 506 -10.582 -9.136 -11.082 1.00 13.13 H new ATOM 0 HD22 LEU A 506 -9.629 -7.805 -10.381 1.00 13.13 H new ATOM 0 HD23 LEU A 506 -9.072 -8.612 -11.867 1.00 13.13 H new ATOM 1717 N LEU A 507 -4.121 -9.518 -10.299 1.00 51.05 N ATOM 1718 CA LEU A 507 -2.776 -9.067 -9.988 1.00 62.35 C ATOM 1719 C LEU A 507 -1.807 -9.593 -11.047 1.00 34.20 C ATOM 1720 O LEU A 507 -0.592 -9.559 -10.857 1.00 52.42 O ATOM 1721 CB LEU A 507 -2.396 -9.461 -8.559 1.00 42.41 C ATOM 1722 CG LEU A 507 -2.081 -10.940 -8.332 1.00 34.41 C ATOM 1723 CD1 LEU A 507 -0.586 -11.215 -8.506 1.00 75.41 C ATOM 1724 CD2 LEU A 507 -2.594 -11.408 -6.969 1.00 40.14 C ATOM 0 H LEU A 507 -4.277 -10.518 -10.169 1.00 51.05 H new ATOM 0 HA LEU A 507 -2.724 -7.979 -10.020 1.00 62.35 H new ATOM 0 HB2 LEU A 507 -1.527 -8.875 -8.261 1.00 42.41 H new ATOM 0 HB3 LEU A 507 -3.214 -9.178 -7.896 1.00 42.41 H new ATOM 0 HG LEU A 507 -2.606 -11.521 -9.090 1.00 34.41 H new ATOM 0 HD11 LEU A 507 -0.389 -12.274 -8.339 1.00 75.41 H new ATOM 0 HD12 LEU A 507 -0.281 -10.944 -9.517 1.00 75.41 H new ATOM 0 HD13 LEU A 507 -0.021 -10.623 -7.786 1.00 75.41 H new ATOM 0 HD21 LEU A 507 -2.357 -12.463 -6.834 1.00 40.14 H new ATOM 0 HD22 LEU A 507 -2.117 -10.825 -6.181 1.00 40.14 H new ATOM 0 HD23 LEU A 507 -3.674 -11.270 -6.920 1.00 40.14 H new ATOM 1735 N SER A 508 -2.382 -10.071 -12.143 1.00 72.04 N ATOM 1736 CA SER A 508 -1.585 -10.604 -13.234 1.00 25.51 C ATOM 1737 C SER A 508 -0.591 -9.548 -13.723 1.00 63.32 C ATOM 1738 O SER A 508 -0.959 -8.639 -14.466 1.00 4.30 O ATOM 1739 CB SER A 508 -2.473 -11.070 -14.389 1.00 22.21 C ATOM 1740 OG SER A 508 -3.493 -10.122 -14.694 1.00 61.22 O ATOM 0 H SER A 508 -3.390 -10.100 -12.297 1.00 72.04 H new ATOM 0 HA SER A 508 -1.034 -11.468 -12.863 1.00 25.51 H new ATOM 0 HB2 SER A 508 -1.859 -11.239 -15.273 1.00 22.21 H new ATOM 0 HB3 SER A 508 -2.931 -12.025 -14.132 1.00 22.21 H new ATOM 0 HG SER A 508 -4.372 -10.538 -14.576 1.00 61.22 H new ATOM 1745 N GLY A 509 0.650 -9.702 -13.285 1.00 22.23 N ATOM 1746 CA GLY A 509 1.700 -8.773 -13.668 1.00 2.12 C ATOM 1747 C GLY A 509 2.143 -7.923 -12.474 1.00 3.44 C ATOM 1748 O GLY A 509 3.273 -7.441 -12.436 1.00 75.14 O ATOM 0 H GLY A 509 0.952 -10.456 -12.668 1.00 22.23 H new ATOM 0 HA2 GLY A 509 2.553 -9.325 -14.062 1.00 2.12 H new ATOM 0 HA3 GLY A 509 1.343 -8.125 -14.468 1.00 2.12 H new ATOM 1752 N LEU A 510 1.229 -7.768 -11.527 1.00 13.45 N ATOM 1753 CA LEU A 510 1.510 -6.985 -10.337 1.00 62.23 C ATOM 1754 C LEU A 510 2.726 -7.576 -9.620 1.00 64.10 C ATOM 1755 O LEU A 510 3.364 -8.497 -10.128 1.00 62.00 O ATOM 1756 CB LEU A 510 0.264 -6.885 -9.454 1.00 4.21 C ATOM 1757 CG LEU A 510 -0.828 -5.931 -9.940 1.00 13.12 C ATOM 1758 CD1 LEU A 510 -1.865 -5.680 -8.843 1.00 51.32 C ATOM 1759 CD2 LEU A 510 -0.222 -4.627 -10.466 1.00 52.40 C ATOM 0 H LEU A 510 0.293 -8.172 -11.560 1.00 13.45 H new ATOM 0 HA LEU A 510 1.764 -5.960 -10.606 1.00 62.23 H new ATOM 0 HB2 LEU A 510 -0.168 -7.881 -9.356 1.00 4.21 H new ATOM 0 HB3 LEU A 510 0.574 -6.573 -8.457 1.00 4.21 H new ATOM 0 HG LEU A 510 -1.349 -6.403 -10.773 1.00 13.12 H new ATOM 0 HD11 LEU A 510 -2.630 -4.998 -9.215 1.00 51.32 H new ATOM 0 HD12 LEU A 510 -2.328 -6.624 -8.557 1.00 51.32 H new ATOM 0 HD13 LEU A 510 -1.376 -5.238 -7.975 1.00 51.32 H new ATOM 0 HD21 LEU A 510 -1.020 -3.966 -10.805 1.00 52.40 H new ATOM 0 HD22 LEU A 510 0.339 -4.139 -9.669 1.00 52.40 H new ATOM 0 HD23 LEU A 510 0.446 -4.846 -11.299 1.00 52.40 H new ATOM 1770 N VAL A 511 3.011 -7.021 -8.451 1.00 1.22 N ATOM 1771 CA VAL A 511 4.138 -7.481 -7.659 1.00 32.43 C ATOM 1772 C VAL A 511 3.627 -8.068 -6.341 1.00 11.51 C ATOM 1773 O VAL A 511 3.452 -7.344 -5.362 1.00 51.33 O ATOM 1774 CB VAL A 511 5.137 -6.340 -7.457 1.00 12.52 C ATOM 1775 CG1 VAL A 511 6.185 -6.708 -6.404 1.00 12.41 C ATOM 1776 CG2 VAL A 511 5.801 -5.953 -8.780 1.00 61.24 C ATOM 0 H VAL A 511 2.480 -6.257 -8.033 1.00 1.22 H new ATOM 0 HA VAL A 511 4.672 -8.274 -8.182 1.00 32.43 H new ATOM 0 HB VAL A 511 4.586 -5.473 -7.092 1.00 12.52 H new ATOM 0 HG11 VAL A 511 6.883 -5.880 -6.280 1.00 12.41 H new ATOM 0 HG12 VAL A 511 5.691 -6.911 -5.454 1.00 12.41 H new ATOM 0 HG13 VAL A 511 6.729 -7.595 -6.727 1.00 12.41 H new ATOM 0 HG21 VAL A 511 6.506 -5.140 -8.609 1.00 61.24 H new ATOM 0 HG22 VAL A 511 6.331 -6.814 -9.186 1.00 61.24 H new ATOM 0 HG23 VAL A 511 5.039 -5.629 -9.489 1.00 61.24 H new ATOM 1786 N ARG A 512 3.401 -9.374 -6.359 1.00 52.24 N ATOM 1787 CA ARG A 512 2.912 -10.065 -5.179 1.00 12.01 C ATOM 1788 C ARG A 512 4.014 -10.153 -4.121 1.00 55.20 C ATOM 1789 O ARG A 512 5.129 -10.584 -4.414 1.00 41.55 O ATOM 1790 CB ARG A 512 2.433 -11.476 -5.526 1.00 70.32 C ATOM 1791 CG ARG A 512 1.930 -12.206 -4.279 1.00 63.54 C ATOM 1792 CD ARG A 512 0.423 -12.018 -4.105 1.00 4.42 C ATOM 1793 NE ARG A 512 -0.308 -13.097 -4.807 1.00 33.50 N ATOM 1794 CZ ARG A 512 -0.210 -14.407 -4.491 1.00 73.21 C ATOM 1795 NH1 ARG A 512 0.587 -14.810 -3.480 1.00 33.43 N ATOM 1796 NH2 ARG A 512 -0.907 -15.286 -5.187 1.00 43.15 N ATOM 0 H ARG A 512 3.548 -9.971 -7.173 1.00 52.24 H new ATOM 0 HA ARG A 512 2.071 -9.495 -4.785 1.00 12.01 H new ATOM 0 HB2 ARG A 512 1.635 -11.421 -6.266 1.00 70.32 H new ATOM 0 HB3 ARG A 512 3.249 -12.040 -5.978 1.00 70.32 H new ATOM 0 HG2 ARG A 512 2.161 -13.268 -4.357 1.00 63.54 H new ATOM 0 HG3 ARG A 512 2.451 -11.830 -3.398 1.00 63.54 H new ATOM 0 HD2 ARG A 512 0.168 -12.025 -3.045 1.00 4.42 H new ATOM 0 HD3 ARG A 512 0.122 -11.048 -4.499 1.00 4.42 H new ATOM 0 HE ARG A 512 -0.924 -12.835 -5.577 1.00 33.50 H new ATOM 0 HH11 ARG A 512 1.122 -14.124 -2.947 1.00 33.43 H new ATOM 0 HH12 ARG A 512 0.655 -15.801 -3.248 1.00 33.43 H new ATOM 0 HH21 ARG A 512 -1.507 -14.972 -5.950 1.00 43.15 H new ATOM 0 HH22 ARG A 512 -0.845 -16.279 -4.962 1.00 43.15 H new ATOM 1806 N LEU A 513 3.664 -9.737 -2.912 1.00 35.13 N ATOM 1807 CA LEU A 513 4.610 -9.763 -1.809 1.00 34.01 C ATOM 1808 C LEU A 513 4.185 -10.837 -0.804 1.00 31.02 C ATOM 1809 O LEU A 513 2.994 -11.066 -0.604 1.00 22.55 O ATOM 1810 CB LEU A 513 4.756 -8.370 -1.196 1.00 63.42 C ATOM 1811 CG LEU A 513 5.781 -7.449 -1.860 1.00 44.35 C ATOM 1812 CD1 LEU A 513 5.959 -7.802 -3.337 1.00 31.33 C ATOM 1813 CD2 LEU A 513 5.406 -5.979 -1.663 1.00 1.11 C ATOM 0 H LEU A 513 2.739 -9.380 -2.672 1.00 35.13 H new ATOM 0 HA LEU A 513 5.604 -10.034 -2.165 1.00 34.01 H new ATOM 0 HB2 LEU A 513 3.783 -7.879 -1.224 1.00 63.42 H new ATOM 0 HB3 LEU A 513 5.025 -8.483 -0.146 1.00 63.42 H new ATOM 0 HG LEU A 513 6.744 -7.603 -1.374 1.00 44.35 H new ATOM 0 HD11 LEU A 513 6.693 -7.132 -3.785 1.00 31.33 H new ATOM 0 HD12 LEU A 513 6.305 -8.832 -3.426 1.00 31.33 H new ATOM 0 HD13 LEU A 513 5.006 -7.694 -3.854 1.00 31.33 H new ATOM 0 HD21 LEU A 513 6.151 -5.346 -2.145 1.00 1.11 H new ATOM 0 HD22 LEU A 513 4.428 -5.790 -2.106 1.00 1.11 H new ATOM 0 HD23 LEU A 513 5.371 -5.752 -0.597 1.00 1.11 H new ATOM 1824 N ASP A 514 5.183 -11.464 -0.201 1.00 23.32 N ATOM 1825 CA ASP A 514 4.929 -12.507 0.779 1.00 55.10 C ATOM 1826 C ASP A 514 6.001 -12.451 1.869 1.00 32.34 C ATOM 1827 O ASP A 514 7.190 -12.357 1.569 1.00 31.44 O ATOM 1828 CB ASP A 514 4.981 -13.893 0.133 1.00 61.30 C ATOM 1829 CG ASP A 514 3.756 -14.262 -0.707 1.00 22.54 C ATOM 1830 OD1 ASP A 514 3.219 -13.431 -1.454 1.00 61.03 O ATOM 1831 OD2 ASP A 514 3.349 -15.478 -0.569 1.00 12.43 O ATOM 0 H ASP A 514 6.170 -11.270 -0.372 1.00 23.32 H new ATOM 0 HA ASP A 514 3.936 -12.341 1.198 1.00 55.10 H new ATOM 0 HB2 ASP A 514 5.867 -13.949 -0.500 1.00 61.30 H new ATOM 0 HB3 ASP A 514 5.102 -14.639 0.918 1.00 61.30 H new ATOM 1836 N GLU A 515 5.543 -12.512 3.108 1.00 44.25 N ATOM 1837 CA GLU A 515 6.448 -12.470 4.244 1.00 45.23 C ATOM 1838 C GLU A 515 7.151 -13.819 4.414 1.00 53.14 C ATOM 1839 O GLU A 515 7.977 -13.984 5.309 1.00 5.03 O ATOM 1840 CB GLU A 515 5.707 -12.074 5.524 1.00 54.25 C ATOM 1841 CG GLU A 515 4.543 -11.130 5.213 1.00 34.23 C ATOM 1842 CD GLU A 515 4.458 -10.006 6.247 1.00 11.51 C ATOM 1843 OE1 GLU A 515 5.476 -9.370 6.558 1.00 12.23 O ATOM 1844 OE2 GLU A 515 3.280 -9.801 6.733 1.00 14.33 O ATOM 0 H GLU A 515 4.556 -12.590 3.352 1.00 44.25 H new ATOM 0 HA GLU A 515 7.204 -11.709 4.051 1.00 45.23 H new ATOM 0 HB2 GLU A 515 5.332 -12.968 6.023 1.00 54.25 H new ATOM 0 HB3 GLU A 515 6.398 -11.590 6.214 1.00 54.25 H new ATOM 0 HG2 GLU A 515 4.671 -10.705 4.218 1.00 34.23 H new ATOM 0 HG3 GLU A 515 3.608 -11.691 5.202 1.00 34.23 H new ATOM 1850 N HIS A 516 6.796 -14.748 3.538 1.00 24.42 N ATOM 1851 CA HIS A 516 7.381 -16.077 3.580 1.00 32.40 C ATOM 1852 C HIS A 516 8.070 -16.375 2.247 1.00 14.14 C ATOM 1853 O HIS A 516 7.925 -17.468 1.701 1.00 21.34 O ATOM 1854 CB HIS A 516 6.330 -17.123 3.952 1.00 1.14 C ATOM 1855 CG HIS A 516 5.135 -17.149 3.028 1.00 42.32 C ATOM 1856 ND1 HIS A 516 3.848 -17.398 3.472 1.00 53.45 N ATOM 1857 CD2 HIS A 516 5.047 -16.953 1.680 1.00 24.13 C ATOM 1858 CE1 HIS A 516 3.031 -17.352 2.431 1.00 0.44 C ATOM 1859 NE2 HIS A 516 3.775 -17.079 1.321 1.00 64.25 N ATOM 0 H HIS A 516 6.111 -14.606 2.796 1.00 24.42 H new ATOM 0 HA HIS A 516 8.141 -16.120 4.360 1.00 32.40 H new ATOM 0 HB2 HIS A 516 6.797 -18.108 3.953 1.00 1.14 H new ATOM 0 HB3 HIS A 516 5.986 -16.932 4.969 1.00 1.14 H new ATOM 0 HD2 HIS A 516 5.872 -16.733 1.018 1.00 24.13 H new ATOM 0 HE1 HIS A 516 1.962 -17.504 2.456 1.00 0.44 H new ATOM 0 HE2 HIS A 516 3.414 -16.987 0.372 1.00 64.25 H new ATOM 1866 N SER A 517 8.804 -15.386 1.760 1.00 2.05 N ATOM 1867 CA SER A 517 9.514 -15.529 0.501 1.00 70.33 C ATOM 1868 C SER A 517 10.908 -14.907 0.613 1.00 1.41 C ATOM 1869 O SER A 517 11.045 -13.749 1.005 1.00 51.53 O ATOM 1870 CB SER A 517 8.737 -14.884 -0.647 1.00 4.40 C ATOM 1871 OG SER A 517 9.080 -15.449 -1.908 1.00 32.41 O ATOM 0 H SER A 517 8.922 -14.481 2.215 1.00 2.05 H new ATOM 0 HA SER A 517 9.613 -16.593 0.284 1.00 70.33 H new ATOM 0 HB2 SER A 517 7.668 -15.006 -0.474 1.00 4.40 H new ATOM 0 HB3 SER A 517 8.937 -13.813 -0.663 1.00 4.40 H new ATOM 0 HG SER A 517 8.561 -15.011 -2.615 1.00 32.41 H new ATOM 1876 N GLN A 518 11.907 -15.704 0.265 1.00 1.25 N ATOM 1877 CA GLN A 518 13.284 -15.247 0.320 1.00 4.02 C ATOM 1878 C GLN A 518 13.573 -14.284 -0.833 1.00 3.43 C ATOM 1879 O GLN A 518 14.673 -13.744 -0.936 1.00 5.51 O ATOM 1880 CB GLN A 518 14.256 -16.429 0.304 1.00 3.12 C ATOM 1881 CG GLN A 518 14.258 -17.118 -1.062 1.00 14.11 C ATOM 1882 CD GLN A 518 15.312 -16.501 -1.985 1.00 24.22 C ATOM 1883 OE1 GLN A 518 16.328 -15.985 -1.550 1.00 74.33 O ATOM 1884 NE2 GLN A 518 15.014 -16.587 -3.278 1.00 55.33 N ATOM 0 H GLN A 518 11.790 -16.665 -0.057 1.00 1.25 H new ATOM 0 HA GLN A 518 13.430 -14.712 1.258 1.00 4.02 H new ATOM 0 HB2 GLN A 518 15.261 -16.081 0.541 1.00 3.12 H new ATOM 0 HB3 GLN A 518 13.976 -17.145 1.076 1.00 3.12 H new ATOM 0 HG2 GLN A 518 14.457 -18.182 -0.936 1.00 14.11 H new ATOM 0 HG3 GLN A 518 13.272 -17.030 -1.519 1.00 14.11 H new ATOM 0 HE21 GLN A 518 14.145 -17.033 -3.573 1.00 55.33 H new ATOM 0 HE22 GLN A 518 15.654 -16.207 -3.975 1.00 55.33 H new ATOM 1891 N ILE A 519 12.564 -14.099 -1.673 1.00 5.03 N ATOM 1892 CA ILE A 519 12.694 -13.212 -2.814 1.00 72.24 C ATOM 1893 C ILE A 519 11.848 -11.959 -2.581 1.00 54.41 C ATOM 1894 O ILE A 519 12.166 -10.885 -3.091 1.00 31.43 O ATOM 1895 CB ILE A 519 12.354 -13.952 -4.111 1.00 40.25 C ATOM 1896 CG1 ILE A 519 11.581 -13.046 -5.071 1.00 34.32 C ATOM 1897 CG2 ILE A 519 11.602 -15.252 -3.818 1.00 63.05 C ATOM 1898 CD1 ILE A 519 12.474 -11.924 -5.605 1.00 11.23 C ATOM 0 H ILE A 519 11.653 -14.549 -1.585 1.00 5.03 H new ATOM 0 HA ILE A 519 13.727 -12.883 -2.924 1.00 72.24 H new ATOM 0 HB ILE A 519 13.287 -14.224 -4.605 1.00 40.25 H new ATOM 0 HG12 ILE A 519 11.196 -13.636 -5.903 1.00 34.32 H new ATOM 0 HG13 ILE A 519 10.720 -12.617 -4.558 1.00 34.32 H new ATOM 0 HG21 ILE A 519 11.372 -15.759 -4.755 1.00 63.05 H new ATOM 0 HG22 ILE A 519 12.222 -15.899 -3.198 1.00 63.05 H new ATOM 0 HG23 ILE A 519 10.675 -15.025 -3.291 1.00 63.05 H new ATOM 0 HD11 ILE A 519 11.900 -11.295 -6.285 1.00 11.23 H new ATOM 0 HD12 ILE A 519 12.838 -11.321 -4.773 1.00 11.23 H new ATOM 0 HD13 ILE A 519 13.321 -12.356 -6.138 1.00 11.23 H new ATOM 1909 N PHE A 520 10.785 -12.136 -1.809 1.00 11.54 N ATOM 1910 CA PHE A 520 9.890 -11.034 -1.503 1.00 63.33 C ATOM 1911 C PHE A 520 10.675 -9.748 -1.240 1.00 74.03 C ATOM 1912 O PHE A 520 10.219 -8.657 -1.582 1.00 63.42 O ATOM 1913 CB PHE A 520 9.126 -11.419 -0.234 1.00 10.42 C ATOM 1914 CG PHE A 520 8.740 -10.227 0.645 1.00 42.50 C ATOM 1915 CD1 PHE A 520 7.879 -9.285 0.174 1.00 33.00 C ATOM 1916 CD2 PHE A 520 9.257 -10.111 1.897 1.00 45.22 C ATOM 1917 CE1 PHE A 520 7.522 -8.180 0.989 1.00 41.30 C ATOM 1918 CE2 PHE A 520 8.898 -9.006 2.713 1.00 71.51 C ATOM 1919 CZ PHE A 520 8.038 -8.063 2.242 1.00 44.11 C ATOM 0 H PHE A 520 10.524 -13.027 -1.386 1.00 11.54 H new ATOM 0 HA PHE A 520 9.220 -10.854 -2.343 1.00 63.33 H new ATOM 0 HB2 PHE A 520 8.221 -11.958 -0.516 1.00 10.42 H new ATOM 0 HB3 PHE A 520 9.737 -12.106 0.351 1.00 10.42 H new ATOM 0 HD1 PHE A 520 7.467 -9.378 -0.820 1.00 33.00 H new ATOM 0 HD2 PHE A 520 9.940 -10.859 2.271 1.00 45.22 H new ATOM 0 HE1 PHE A 520 6.840 -7.431 0.614 1.00 41.30 H new ATOM 0 HE2 PHE A 520 9.308 -8.914 3.708 1.00 71.51 H new ATOM 0 HZ PHE A 520 7.765 -7.222 2.862 1.00 44.11 H new ATOM 1928 N ALA A 521 11.843 -9.916 -0.636 1.00 32.35 N ATOM 1929 CA ALA A 521 12.696 -8.782 -0.324 1.00 13.13 C ATOM 1930 C ALA A 521 13.025 -8.028 -1.613 1.00 32.21 C ATOM 1931 O ALA A 521 12.936 -6.802 -1.660 1.00 43.24 O ATOM 1932 CB ALA A 521 13.950 -9.271 0.402 1.00 24.33 C ATOM 0 H ALA A 521 12.218 -10.822 -0.354 1.00 32.35 H new ATOM 0 HA ALA A 521 12.184 -8.088 0.342 1.00 13.13 H new ATOM 0 HB1 ALA A 521 14.590 -8.420 0.636 1.00 24.33 H new ATOM 0 HB2 ALA A 521 13.663 -9.774 1.325 1.00 24.33 H new ATOM 0 HB3 ALA A 521 14.492 -9.968 -0.237 1.00 24.33 H new ATOM 1938 N ARG A 522 13.399 -8.792 -2.629 1.00 13.33 N ATOM 1939 CA ARG A 522 13.743 -8.211 -3.916 1.00 31.00 C ATOM 1940 C ARG A 522 12.481 -7.728 -4.635 1.00 20.34 C ATOM 1941 O ARG A 522 12.551 -6.861 -5.504 1.00 54.42 O ATOM 1942 CB ARG A 522 14.469 -9.225 -4.802 1.00 72.41 C ATOM 1943 CG ARG A 522 15.879 -9.502 -4.276 1.00 74.32 C ATOM 1944 CD ARG A 522 15.845 -10.494 -3.112 1.00 43.04 C ATOM 1945 NE ARG A 522 17.220 -10.917 -2.767 1.00 11.24 N ATOM 1946 CZ ARG A 522 17.537 -11.648 -1.676 1.00 54.33 C ATOM 1947 NH1 ARG A 522 16.577 -12.040 -0.812 1.00 22.14 N ATOM 1948 NH2 ARG A 522 18.799 -11.971 -1.466 1.00 51.35 N ATOM 0 H ARG A 522 13.471 -9.809 -2.587 1.00 13.33 H new ATOM 0 HA ARG A 522 14.406 -7.366 -3.731 1.00 31.00 H new ATOM 0 HB2 ARG A 522 13.901 -10.155 -4.838 1.00 72.41 H new ATOM 0 HB3 ARG A 522 14.525 -8.847 -5.823 1.00 72.41 H new ATOM 0 HG2 ARG A 522 16.499 -9.900 -5.079 1.00 74.32 H new ATOM 0 HG3 ARG A 522 16.339 -8.569 -3.950 1.00 74.32 H new ATOM 0 HD2 ARG A 522 15.369 -10.035 -2.246 1.00 43.04 H new ATOM 0 HD3 ARG A 522 15.245 -11.363 -3.382 1.00 43.04 H new ATOM 0 HE ARG A 522 17.976 -10.639 -3.392 1.00 11.24 H new ATOM 0 HH11 ARG A 522 15.604 -11.785 -0.981 1.00 22.14 H new ATOM 0 HH12 ARG A 522 16.825 -12.592 0.009 1.00 22.14 H new ATOM 0 HH21 ARG A 522 19.519 -11.669 -2.123 1.00 51.35 H new ATOM 0 HH22 ARG A 522 19.055 -12.522 -0.647 1.00 51.35 H new ATOM 1958 N LYS A 523 11.357 -8.312 -4.245 1.00 41.23 N ATOM 1959 CA LYS A 523 10.082 -7.952 -4.842 1.00 1.05 C ATOM 1960 C LYS A 523 9.686 -6.548 -4.381 1.00 30.25 C ATOM 1961 O LYS A 523 9.224 -5.736 -5.181 1.00 42.44 O ATOM 1962 CB LYS A 523 9.028 -9.018 -4.537 1.00 0.45 C ATOM 1963 CG LYS A 523 9.526 -10.411 -4.934 1.00 31.23 C ATOM 1964 CD LYS A 523 9.963 -10.439 -6.400 1.00 10.41 C ATOM 1965 CE LYS A 523 8.823 -9.997 -7.321 1.00 4.21 C ATOM 1966 NZ LYS A 523 9.049 -10.486 -8.699 1.00 31.13 N ATOM 0 H LYS A 523 11.303 -9.031 -3.524 1.00 41.23 H new ATOM 0 HA LYS A 523 10.166 -7.920 -5.928 1.00 1.05 H new ATOM 0 HB2 LYS A 523 8.787 -9.003 -3.474 1.00 0.45 H new ATOM 0 HB3 LYS A 523 8.108 -8.790 -5.075 1.00 0.45 H new ATOM 0 HG2 LYS A 523 10.362 -10.698 -4.296 1.00 31.23 H new ATOM 0 HG3 LYS A 523 8.735 -11.144 -4.772 1.00 31.23 H new ATOM 0 HD2 LYS A 523 10.823 -9.784 -6.539 1.00 10.41 H new ATOM 0 HD3 LYS A 523 10.283 -11.446 -6.669 1.00 10.41 H new ATOM 0 HE2 LYS A 523 7.874 -10.380 -6.944 1.00 4.21 H new ATOM 0 HE3 LYS A 523 8.750 -8.909 -7.322 1.00 4.21 H new ATOM 0 HZ1 LYS A 523 8.266 -10.177 -9.310 1.00 31.13 H new ATOM 0 HZ2 LYS A 523 9.944 -10.100 -9.062 1.00 31.13 H new ATOM 0 HZ3 LYS A 523 9.096 -11.525 -8.695 1.00 31.13 H new ATOM 1975 N VAL A 524 9.883 -6.305 -3.093 1.00 11.42 N ATOM 1976 CA VAL A 524 9.553 -5.013 -2.516 1.00 2.53 C ATOM 1977 C VAL A 524 10.665 -4.015 -2.840 1.00 31.11 C ATOM 1978 O VAL A 524 10.395 -2.861 -3.166 1.00 52.30 O ATOM 1979 CB VAL A 524 9.300 -5.161 -1.014 1.00 51.33 C ATOM 1980 CG1 VAL A 524 10.617 -5.190 -0.237 1.00 3.41 C ATOM 1981 CG2 VAL A 524 8.385 -4.047 -0.501 1.00 15.53 C ATOM 0 H VAL A 524 10.267 -6.981 -2.433 1.00 11.42 H new ATOM 0 HA VAL A 524 8.632 -4.624 -2.951 1.00 2.53 H new ATOM 0 HB VAL A 524 8.794 -6.113 -0.851 1.00 51.33 H new ATOM 0 HG11 VAL A 524 10.409 -5.296 0.828 1.00 3.41 H new ATOM 0 HG12 VAL A 524 11.220 -6.033 -0.574 1.00 3.41 H new ATOM 0 HG13 VAL A 524 11.162 -4.262 -0.410 1.00 3.41 H new ATOM 0 HG21 VAL A 524 8.221 -4.175 0.569 1.00 15.53 H new ATOM 0 HG22 VAL A 524 8.852 -3.079 -0.683 1.00 15.53 H new ATOM 0 HG23 VAL A 524 7.429 -4.092 -1.023 1.00 15.53 H new ATOM 1991 N ALA A 525 11.896 -4.497 -2.738 1.00 22.01 N ATOM 1992 CA ALA A 525 13.052 -3.661 -3.017 1.00 4.41 C ATOM 1993 C ALA A 525 13.111 -3.363 -4.515 1.00 72.32 C ATOM 1994 O ALA A 525 13.902 -2.529 -4.956 1.00 21.40 O ATOM 1995 CB ALA A 525 14.318 -4.356 -2.509 1.00 40.31 C ATOM 0 H ALA A 525 12.118 -5.455 -2.466 1.00 22.01 H new ATOM 0 HA ALA A 525 12.972 -2.707 -2.495 1.00 4.41 H new ATOM 0 HB1 ALA A 525 15.185 -3.730 -2.718 1.00 40.31 H new ATOM 0 HB2 ALA A 525 14.238 -4.518 -1.434 1.00 40.31 H new ATOM 0 HB3 ALA A 525 14.433 -5.316 -3.013 1.00 40.31 H new ATOM 2001 N ASN A 526 12.266 -4.061 -5.260 1.00 2.30 N ATOM 2002 CA ASN A 526 12.212 -3.881 -6.701 1.00 70.33 C ATOM 2003 C ASN A 526 11.273 -2.719 -7.031 1.00 65.22 C ATOM 2004 O ASN A 526 11.639 -1.816 -7.782 1.00 41.53 O ATOM 2005 CB ASN A 526 11.675 -5.135 -7.392 1.00 10.40 C ATOM 2006 CG ASN A 526 12.816 -5.988 -7.947 1.00 34.54 C ATOM 2007 OD1 ASN A 526 13.899 -5.509 -8.238 1.00 61.31 O ATOM 2008 ND2 ASN A 526 12.513 -7.278 -8.077 1.00 73.52 N ATOM 0 H ASN A 526 11.613 -4.753 -4.892 1.00 2.30 H new ATOM 0 HA ASN A 526 13.223 -3.680 -7.054 1.00 70.33 H new ATOM 0 HB2 ASN A 526 11.089 -5.722 -6.684 1.00 10.40 H new ATOM 0 HB3 ASN A 526 11.004 -4.849 -8.202 1.00 10.40 H new ATOM 0 HD21 ASN A 526 13.208 -7.931 -8.439 1.00 73.52 H new ATOM 0 HD22 ASN A 526 11.586 -7.613 -7.814 1.00 73.52 H new ATOM 2014 N THR A 527 10.082 -2.780 -6.453 1.00 35.14 N ATOM 2015 CA THR A 527 9.089 -1.744 -6.677 1.00 55.54 C ATOM 2016 C THR A 527 9.378 -0.528 -5.795 1.00 41.30 C ATOM 2017 O THR A 527 9.486 0.592 -6.291 1.00 51.12 O ATOM 2018 CB THR A 527 7.707 -2.355 -6.437 1.00 2.11 C ATOM 2019 OG1 THR A 527 6.802 -1.306 -6.772 1.00 12.21 O ATOM 2020 CG2 THR A 527 7.435 -2.623 -4.956 1.00 22.03 C ATOM 0 H THR A 527 9.783 -3.531 -5.830 1.00 35.14 H new ATOM 0 HA THR A 527 9.124 -1.377 -7.703 1.00 55.54 H new ATOM 0 HB THR A 527 7.619 -3.286 -6.996 1.00 2.11 H new ATOM 0 HG1 THR A 527 6.255 -1.084 -5.990 1.00 12.21 H new ATOM 0 HG21 THR A 527 6.441 -3.056 -4.841 1.00 22.03 H new ATOM 0 HG22 THR A 527 8.181 -3.317 -4.569 1.00 22.03 H new ATOM 0 HG23 THR A 527 7.489 -1.686 -4.401 1.00 22.03 H new ATOM 2028 N PHE A 528 9.495 -0.791 -4.501 1.00 52.44 N ATOM 2029 CA PHE A 528 9.770 0.268 -3.545 1.00 21.41 C ATOM 2030 C PHE A 528 11.274 0.510 -3.411 1.00 21.41 C ATOM 2031 O PHE A 528 11.832 0.389 -2.321 1.00 73.32 O ATOM 2032 CB PHE A 528 9.218 -0.196 -2.195 1.00 73.33 C ATOM 2033 CG PHE A 528 7.690 -0.209 -2.119 1.00 51.12 C ATOM 2034 CD1 PHE A 528 6.997 0.961 -2.146 1.00 73.32 C ATOM 2035 CD2 PHE A 528 7.024 -1.391 -2.024 1.00 62.22 C ATOM 2036 CE1 PHE A 528 5.580 0.948 -2.075 1.00 64.14 C ATOM 2037 CE2 PHE A 528 5.606 -1.404 -1.953 1.00 51.15 C ATOM 2038 CZ PHE A 528 4.913 -0.234 -1.980 1.00 73.34 C ATOM 0 H PHE A 528 9.404 -1.721 -4.093 1.00 52.44 H new ATOM 0 HA PHE A 528 9.308 1.198 -3.877 1.00 21.41 H new ATOM 0 HB2 PHE A 528 9.590 -1.199 -1.987 1.00 73.33 H new ATOM 0 HB3 PHE A 528 9.605 0.456 -1.412 1.00 73.33 H new ATOM 0 HD1 PHE A 528 7.525 1.900 -2.221 1.00 73.32 H new ATOM 0 HD2 PHE A 528 7.574 -2.320 -2.003 1.00 62.22 H new ATOM 0 HE1 PHE A 528 5.030 1.877 -2.096 1.00 64.14 H new ATOM 0 HE2 PHE A 528 5.078 -2.343 -1.878 1.00 51.15 H new ATOM 0 HZ PHE A 528 3.834 -0.243 -1.926 1.00 73.34 H new ATOM 2047 N LYS A 529 11.889 0.846 -4.536 1.00 72.15 N ATOM 2048 CA LYS A 529 13.319 1.106 -4.558 1.00 51.01 C ATOM 2049 C LYS A 529 13.637 2.266 -3.612 1.00 65.41 C ATOM 2050 O LYS A 529 12.765 3.074 -3.299 1.00 23.21 O ATOM 2051 CB LYS A 529 13.799 1.334 -5.993 1.00 74.31 C ATOM 2052 CG LYS A 529 13.337 0.202 -6.913 1.00 60.24 C ATOM 2053 CD LYS A 529 14.523 -0.646 -7.376 1.00 63.41 C ATOM 2054 CE LYS A 529 14.195 -1.382 -8.676 1.00 23.41 C ATOM 2055 NZ LYS A 529 15.421 -1.583 -9.481 1.00 11.42 N ATOM 0 H LYS A 529 11.424 0.944 -5.438 1.00 72.15 H new ATOM 0 HA LYS A 529 13.870 0.238 -4.195 1.00 51.01 H new ATOM 0 HB2 LYS A 529 13.416 2.286 -6.361 1.00 74.31 H new ATOM 0 HB3 LYS A 529 14.887 1.400 -6.010 1.00 74.31 H new ATOM 0 HG2 LYS A 529 12.618 -0.427 -6.388 1.00 60.24 H new ATOM 0 HG3 LYS A 529 12.823 0.619 -7.779 1.00 60.24 H new ATOM 0 HD2 LYS A 529 15.395 -0.009 -7.525 1.00 63.41 H new ATOM 0 HD3 LYS A 529 14.784 -1.367 -6.601 1.00 63.41 H new ATOM 0 HE2 LYS A 529 13.739 -2.346 -8.450 1.00 23.41 H new ATOM 0 HE3 LYS A 529 13.465 -0.811 -9.250 1.00 23.41 H new ATOM 0 HZ1 LYS A 529 15.181 -2.084 -10.360 1.00 11.42 H new ATOM 0 HZ2 LYS A 529 15.840 -0.660 -9.712 1.00 11.42 H new ATOM 0 HZ3 LYS A 529 16.105 -2.147 -8.937 1.00 11.42 H new ATOM 2064 N PRO A 530 14.922 2.310 -3.169 1.00 60.52 N ATOM 2065 CA PRO A 530 15.367 3.356 -2.264 1.00 52.04 C ATOM 2066 C PRO A 530 15.538 4.685 -3.005 1.00 63.32 C ATOM 2067 O PRO A 530 15.254 5.746 -2.453 1.00 54.15 O ATOM 2068 CB PRO A 530 16.665 2.836 -1.668 1.00 72.30 C ATOM 2069 CG PRO A 530 17.139 1.733 -2.601 1.00 63.12 C ATOM 2070 CD PRO A 530 15.983 1.370 -3.518 1.00 5.22 C ATOM 0 HA PRO A 530 14.642 3.569 -1.478 1.00 52.04 H new ATOM 0 HB2 PRO A 530 17.407 3.631 -1.594 1.00 72.30 H new ATOM 0 HB3 PRO A 530 16.506 2.453 -0.660 1.00 72.30 H new ATOM 0 HG2 PRO A 530 17.997 2.068 -3.183 1.00 63.12 H new ATOM 0 HG3 PRO A 530 17.461 0.862 -2.030 1.00 63.12 H new ATOM 0 HD2 PRO A 530 16.265 1.463 -4.567 1.00 5.22 H new ATOM 0 HD3 PRO A 530 15.665 0.339 -3.364 1.00 5.22 H new ATOM 2075 N HIS A 531 16.004 4.581 -4.241 1.00 12.33 N ATOM 2076 CA HIS A 531 16.217 5.760 -5.061 1.00 34.11 C ATOM 2077 C HIS A 531 14.884 6.480 -5.282 1.00 43.12 C ATOM 2078 O HIS A 531 14.860 7.644 -5.676 1.00 71.51 O ATOM 2079 CB HIS A 531 16.915 5.392 -6.372 1.00 15.02 C ATOM 2080 CG HIS A 531 16.067 4.566 -7.309 1.00 4.32 C ATOM 2081 ND1 HIS A 531 15.910 3.198 -7.170 1.00 25.24 N ATOM 2082 CD2 HIS A 531 15.329 4.929 -8.398 1.00 41.21 C ATOM 2083 CE1 HIS A 531 15.115 2.766 -8.137 1.00 12.23 C ATOM 2084 NE2 HIS A 531 14.755 3.841 -8.897 1.00 72.31 N ATOM 0 H HIS A 531 16.240 3.698 -4.694 1.00 12.33 H new ATOM 0 HA HIS A 531 16.883 6.451 -4.543 1.00 34.11 H new ATOM 0 HB2 HIS A 531 17.214 6.308 -6.882 1.00 15.02 H new ATOM 0 HB3 HIS A 531 17.828 4.841 -6.144 1.00 15.02 H new ATOM 0 HD1 HIS A 531 16.335 2.620 -6.445 1.00 25.24 H new ATOM 0 HD2 HIS A 531 15.229 5.931 -8.788 1.00 41.21 H new ATOM 0 HE1 HIS A 531 14.806 1.743 -8.296 1.00 12.23 H new ATOM 2091 N ARG A 532 13.806 5.756 -5.017 1.00 62.51 N ATOM 2092 CA ARG A 532 12.474 6.310 -5.182 1.00 43.35 C ATOM 2093 C ARG A 532 11.918 6.766 -3.831 1.00 45.12 C ATOM 2094 O ARG A 532 11.533 7.923 -3.674 1.00 64.41 O ATOM 2095 CB ARG A 532 11.522 5.281 -5.796 1.00 43.22 C ATOM 2096 CG ARG A 532 12.199 4.520 -6.938 1.00 65.30 C ATOM 2097 CD ARG A 532 12.230 5.362 -8.215 1.00 13.12 C ATOM 2098 NE ARG A 532 10.860 5.790 -8.573 1.00 10.32 N ATOM 2099 CZ ARG A 532 10.016 5.066 -9.339 1.00 1.20 C ATOM 2100 NH1 ARG A 532 10.397 3.870 -9.835 1.00 53.11 N ATOM 2101 NH2 ARG A 532 8.812 5.545 -9.596 1.00 64.20 N ATOM 0 H ARG A 532 13.829 4.790 -4.689 1.00 62.51 H new ATOM 0 HA ARG A 532 12.551 7.164 -5.855 1.00 43.35 H new ATOM 0 HB2 ARG A 532 11.196 4.578 -5.029 1.00 43.22 H new ATOM 0 HB3 ARG A 532 10.629 5.783 -6.168 1.00 43.22 H new ATOM 0 HG2 ARG A 532 13.216 4.253 -6.649 1.00 65.30 H new ATOM 0 HG3 ARG A 532 11.666 3.588 -7.125 1.00 65.30 H new ATOM 0 HD2 ARG A 532 12.866 6.235 -8.069 1.00 13.12 H new ATOM 0 HD3 ARG A 532 12.664 4.784 -9.031 1.00 13.12 H new ATOM 0 HE ARG A 532 10.532 6.689 -8.219 1.00 10.32 H new ATOM 0 HH11 ARG A 532 11.328 3.507 -9.632 1.00 53.11 H new ATOM 0 HH12 ARG A 532 9.754 3.329 -10.413 1.00 53.11 H new ATOM 0 HH21 ARG A 532 8.532 6.450 -9.217 1.00 64.20 H new ATOM 0 HH22 ARG A 532 8.163 5.010 -10.173 1.00 64.20 H new ATOM 2111 N LEU A 533 11.894 5.832 -2.891 1.00 44.10 N ATOM 2112 CA LEU A 533 11.392 6.123 -1.559 1.00 51.33 C ATOM 2113 C LEU A 533 11.870 7.512 -1.132 1.00 71.53 C ATOM 2114 O LEU A 533 11.125 8.264 -0.504 1.00 24.44 O ATOM 2115 CB LEU A 533 11.781 5.011 -0.584 1.00 62.12 C ATOM 2116 CG LEU A 533 10.775 3.871 -0.430 1.00 11.22 C ATOM 2117 CD1 LEU A 533 9.531 4.335 0.330 1.00 73.12 C ATOM 2118 CD2 LEU A 533 10.421 3.264 -1.789 1.00 21.42 C ATOM 0 H LEU A 533 12.214 4.873 -3.026 1.00 44.10 H new ATOM 0 HA LEU A 533 10.302 6.146 -1.559 1.00 51.33 H new ATOM 0 HB2 LEU A 533 12.732 4.588 -0.907 1.00 62.12 H new ATOM 0 HB3 LEU A 533 11.947 5.457 0.397 1.00 62.12 H new ATOM 0 HG LEU A 533 11.241 3.084 0.164 1.00 11.22 H new ATOM 0 HD11 LEU A 533 8.832 3.504 0.425 1.00 73.12 H new ATOM 0 HD12 LEU A 533 9.819 4.682 1.322 1.00 73.12 H new ATOM 0 HD13 LEU A 533 9.054 5.150 -0.215 1.00 73.12 H new ATOM 0 HD21 LEU A 533 9.704 2.455 -1.650 1.00 21.42 H new ATOM 0 HD22 LEU A 533 9.984 4.032 -2.428 1.00 21.42 H new ATOM 0 HD23 LEU A 533 11.323 2.872 -2.259 1.00 21.42 H new