USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 705 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 391 THR OG1 : rot -89:sc= 0.915 USER MOD Set 1.2: A 393 HIS : no HD1:sc= -1.99 K(o=-1.1,f=-2.3!) USER MOD Set 2.1: A 378 ASN : amide:sc= -5.73! K(o=-6!,f=-2.8) USER MOD Set 2.2: A 383 TYR OH : rot 180:sc= -0.243 USER MOD Single : A 364 SER OG : rot 180:sc= -0.0197 USER MOD Single : A 365 HIS : no HD1:sc= -0.718 K(o=-0.72,f=-0.11) USER MOD Single : A 366 MET CE :methyl -146:sc= -0.827 (180deg=-3.01) USER MOD Single : A 370 MET CE :methyl 153:sc= -0.316 (180deg=-1.21) USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 GLN : amide:sc= -1.58! C(o=-1.6!,f=-1.9!) USER MOD Single : A 399 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.095) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 29:sc= -0.0512 USER MOD Single : A 403 THR OG1 : rot -170:sc= -0.416 USER MOD Single : A 405 ASN : amide:sc= -0.601 K(o=-0.6,f=0) USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HE2:sc= 0.656 K(o=0.66,f=-2.8!) USER MOD Single : A 416 TYR OH : rot 180:sc= 0 USER MOD Single : A 420 ASN : amide:sc= 0.829 K(o=0.83,f=-4.5!) USER MOD Single : A 430 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-2.9!) USER MOD Single : A 433 SER OG : rot -12:sc= 0.911 USER MOD Single : A 435 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 454 GLN : amide:sc= -1.17! K(o=-1.2!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 6.923 -14.683 4.548 1.00 11.64 N ATOM 2 CA GLY A 363 5.777 -14.366 3.652 1.00 11.03 C ATOM 3 C GLY A 363 6.134 -13.338 2.596 1.00 10.23 C ATOM 4 O GLY A 363 5.376 -12.399 2.355 1.00 10.21 O ATOM 0 HA2 GLY A 363 5.437 -15.280 3.165 1.00 11.03 H new ATOM 0 HA3 GLY A 363 4.944 -13.995 4.250 1.00 11.03 H new ATOM 10 N SER A 364 7.291 -13.517 1.965 1.00 9.80 N ATOM 11 CA SER A 364 7.746 -12.598 0.928 1.00 9.25 C ATOM 12 C SER A 364 6.772 -12.579 -0.245 1.00 8.36 C ATOM 13 O SER A 364 6.414 -11.514 -0.750 1.00 8.24 O ATOM 14 CB SER A 364 9.142 -12.991 0.442 1.00 9.60 C ATOM 15 OG SER A 364 9.146 -14.304 -0.092 1.00 9.86 O ATOM 0 H SER A 364 7.930 -14.290 2.154 1.00 9.80 H new ATOM 0 HA SER A 364 7.790 -11.597 1.358 1.00 9.25 H new ATOM 0 HB2 SER A 364 9.478 -12.285 -0.318 1.00 9.60 H new ATOM 0 HB3 SER A 364 9.849 -12.929 1.269 1.00 9.60 H new ATOM 0 HG SER A 364 10.049 -14.530 -0.397 1.00 9.86 H new ATOM 21 N HIS A 365 6.345 -13.764 -0.673 1.00 7.98 N ATOM 22 CA HIS A 365 5.410 -13.886 -1.786 1.00 7.35 C ATOM 23 C HIS A 365 4.026 -13.362 -1.384 1.00 6.30 C ATOM 24 O HIS A 365 3.901 -12.598 -0.426 1.00 6.44 O ATOM 25 CB HIS A 365 5.330 -15.353 -2.237 1.00 7.88 C ATOM 26 CG HIS A 365 4.776 -16.287 -1.199 1.00 7.65 C ATOM 27 ND1 HIS A 365 4.484 -17.611 -1.459 1.00 7.18 N ATOM 28 CD2 HIS A 365 4.464 -16.088 0.106 1.00 8.07 C ATOM 29 CE1 HIS A 365 4.015 -18.181 -0.362 1.00 7.26 C ATOM 30 NE2 HIS A 365 3.995 -17.279 0.600 1.00 7.79 N ATOM 0 H HIS A 365 6.632 -14.654 -0.265 1.00 7.98 H new ATOM 0 HA HIS A 365 5.768 -13.283 -2.620 1.00 7.35 H new ATOM 0 HB2 HIS A 365 4.710 -15.413 -3.132 1.00 7.88 H new ATOM 0 HB3 HIS A 365 6.328 -15.690 -2.517 1.00 7.88 H new ATOM 0 HD2 HIS A 365 4.566 -15.163 0.655 1.00 8.07 H new ATOM 0 HE1 HIS A 365 3.702 -19.210 -0.269 1.00 7.26 H new ATOM 0 HE2 HIS A 365 3.681 -17.441 1.557 1.00 7.79 H new ATOM 39 N MET A 366 2.988 -13.779 -2.109 1.00 5.51 N ATOM 40 CA MET A 366 1.627 -13.351 -1.809 1.00 4.67 C ATOM 41 C MET A 366 1.200 -13.842 -0.431 1.00 4.56 C ATOM 42 O MET A 366 1.626 -14.906 0.016 1.00 4.71 O ATOM 43 CB MET A 366 0.656 -13.869 -2.872 1.00 4.15 C ATOM 44 CG MET A 366 0.938 -13.329 -4.265 1.00 3.72 C ATOM 45 SD MET A 366 0.836 -11.531 -4.347 1.00 3.31 S ATOM 46 CE MET A 366 -0.860 -11.262 -3.836 1.00 2.76 C ATOM 0 H MET A 366 3.066 -14.411 -2.906 1.00 5.51 H new ATOM 0 HA MET A 366 1.606 -12.261 -1.813 1.00 4.67 H new ATOM 0 HB2 MET A 366 0.703 -14.958 -2.896 1.00 4.15 H new ATOM 0 HB3 MET A 366 -0.361 -13.600 -2.586 1.00 4.15 H new ATOM 0 HG2 MET A 366 1.932 -13.647 -4.579 1.00 3.72 H new ATOM 0 HG3 MET A 366 0.227 -13.762 -4.969 1.00 3.72 H new ATOM 0 HE1 MET A 366 -1.268 -10.401 -4.366 1.00 2.76 H new ATOM 0 HE2 MET A 366 -1.454 -12.146 -4.067 1.00 2.76 H new ATOM 0 HE3 MET A 366 -0.891 -11.075 -2.763 1.00 2.76 H new ATOM 56 N ASP A 367 0.360 -13.060 0.241 1.00 4.67 N ATOM 57 CA ASP A 367 -0.115 -13.422 1.573 1.00 4.80 C ATOM 58 C ASP A 367 -1.636 -13.596 1.613 1.00 4.50 C ATOM 59 O ASP A 367 -2.329 -12.893 2.348 1.00 4.10 O ATOM 60 CB ASP A 367 0.329 -12.373 2.597 1.00 4.92 C ATOM 61 CG ASP A 367 -0.004 -10.956 2.166 1.00 5.55 C ATOM 62 OD1 ASP A 367 -1.200 -10.655 1.973 1.00 6.06 O ATOM 63 OD2 ASP A 367 0.937 -10.146 2.021 1.00 5.80 O ATOM 0 H ASP A 367 -0.005 -12.175 -0.113 1.00 4.67 H new ATOM 0 HA ASP A 367 0.329 -14.384 1.829 1.00 4.80 H new ATOM 0 HB2 ASP A 367 -0.151 -12.580 3.554 1.00 4.92 H new ATOM 0 HB3 ASP A 367 1.404 -12.457 2.755 1.00 4.92 H new ATOM 68 N PRO A 368 -2.180 -14.552 0.835 1.00 4.98 N ATOM 69 CA PRO A 368 -3.614 -14.818 0.806 1.00 5.12 C ATOM 70 C PRO A 368 -4.035 -15.747 1.938 1.00 5.15 C ATOM 71 O PRO A 368 -4.930 -16.578 1.780 1.00 5.66 O ATOM 72 CB PRO A 368 -3.808 -15.486 -0.552 1.00 5.90 C ATOM 73 CG PRO A 368 -2.521 -16.195 -0.822 1.00 6.16 C ATOM 74 CD PRO A 368 -1.440 -15.465 -0.056 1.00 5.69 C ATOM 0 HA PRO A 368 -4.216 -13.919 0.938 1.00 5.12 H new ATOM 0 HB2 PRO A 368 -4.646 -16.183 -0.533 1.00 5.90 H new ATOM 0 HB3 PRO A 368 -4.023 -14.750 -1.327 1.00 5.90 H new ATOM 0 HG2 PRO A 368 -2.581 -17.236 -0.505 1.00 6.16 H new ATOM 0 HG3 PRO A 368 -2.300 -16.199 -1.889 1.00 6.16 H new ATOM 0 HD2 PRO A 368 -0.818 -16.157 0.511 1.00 5.69 H new ATOM 0 HD3 PRO A 368 -0.778 -14.917 -0.726 1.00 5.69 H new ATOM 82 N LEU A 369 -3.372 -15.597 3.078 1.00 4.84 N ATOM 83 CA LEU A 369 -3.648 -16.410 4.248 1.00 5.12 C ATOM 84 C LEU A 369 -3.240 -15.664 5.514 1.00 4.61 C ATOM 85 O LEU A 369 -3.863 -15.814 6.565 1.00 4.91 O ATOM 86 CB LEU A 369 -2.918 -17.752 4.131 1.00 5.80 C ATOM 87 CG LEU A 369 -1.400 -17.681 3.914 1.00 6.34 C ATOM 88 CD1 LEU A 369 -0.668 -17.396 5.217 1.00 6.73 C ATOM 89 CD2 LEU A 369 -0.894 -18.975 3.295 1.00 6.94 C ATOM 0 H LEU A 369 -2.631 -14.910 3.214 1.00 4.84 H new ATOM 0 HA LEU A 369 -4.718 -16.609 4.308 1.00 5.12 H new ATOM 0 HB2 LEU A 369 -3.108 -18.326 5.038 1.00 5.80 H new ATOM 0 HB3 LEU A 369 -3.357 -18.310 3.304 1.00 5.80 H new ATOM 0 HG LEU A 369 -1.197 -16.858 3.229 1.00 6.34 H new ATOM 0 HD11 LEU A 369 0.405 -17.352 5.030 1.00 6.73 H new ATOM 0 HD12 LEU A 369 -1.005 -16.442 5.623 1.00 6.73 H new ATOM 0 HD13 LEU A 369 -0.879 -18.190 5.934 1.00 6.73 H new ATOM 0 HD21 LEU A 369 0.184 -18.910 3.147 1.00 6.94 H new ATOM 0 HD22 LEU A 369 -1.119 -19.809 3.960 1.00 6.94 H new ATOM 0 HD23 LEU A 369 -1.383 -19.134 2.334 1.00 6.94 H new ATOM 101 N MET A 370 -2.198 -14.848 5.395 1.00 4.12 N ATOM 102 CA MET A 370 -1.709 -14.059 6.519 1.00 3.87 C ATOM 103 C MET A 370 -2.064 -12.585 6.320 1.00 3.02 C ATOM 104 O MET A 370 -1.339 -11.690 6.756 1.00 3.06 O ATOM 105 CB MET A 370 -0.194 -14.227 6.660 1.00 4.63 C ATOM 106 CG MET A 370 0.380 -13.624 7.933 1.00 5.03 C ATOM 107 SD MET A 370 2.181 -13.660 7.964 1.00 5.63 S ATOM 108 CE MET A 370 2.555 -12.699 6.500 1.00 5.52 C ATOM 0 H MET A 370 -1.675 -14.716 4.529 1.00 4.12 H new ATOM 0 HA MET A 370 -2.186 -14.413 7.433 1.00 3.87 H new ATOM 0 HB2 MET A 370 0.047 -15.290 6.633 1.00 4.63 H new ATOM 0 HB3 MET A 370 0.294 -13.767 5.800 1.00 4.63 H new ATOM 0 HG2 MET A 370 0.039 -12.593 8.028 1.00 5.03 H new ATOM 0 HG3 MET A 370 -0.006 -14.168 8.795 1.00 5.03 H new ATOM 0 HE1 MET A 370 3.530 -12.225 6.615 1.00 5.52 H new ATOM 0 HE2 MET A 370 2.571 -13.354 5.629 1.00 5.52 H new ATOM 0 HE3 MET A 370 1.792 -11.932 6.363 1.00 5.52 H new ATOM 118 N GLN A 371 -3.191 -12.340 5.657 1.00 2.80 N ATOM 119 CA GLN A 371 -3.650 -10.978 5.400 1.00 2.63 C ATOM 120 C GLN A 371 -3.973 -10.255 6.700 1.00 2.21 C ATOM 121 O GLN A 371 -4.548 -10.842 7.617 1.00 2.80 O ATOM 122 CB GLN A 371 -4.884 -10.989 4.499 1.00 3.46 C ATOM 123 CG GLN A 371 -5.978 -11.933 4.969 1.00 3.91 C ATOM 124 CD GLN A 371 -7.218 -11.866 4.100 1.00 4.54 C ATOM 125 OE1 GLN A 371 -7.163 -12.126 2.899 1.00 4.97 O ATOM 126 NE2 GLN A 371 -8.348 -11.514 4.705 1.00 5.04 N ATOM 0 H GLN A 371 -3.804 -13.067 5.288 1.00 2.80 H new ATOM 0 HA GLN A 371 -2.843 -10.446 4.896 1.00 2.63 H new ATOM 0 HB2 GLN A 371 -5.289 -9.979 4.441 1.00 3.46 H new ATOM 0 HB3 GLN A 371 -4.583 -11.270 3.490 1.00 3.46 H new ATOM 0 HG2 GLN A 371 -5.596 -12.954 4.972 1.00 3.91 H new ATOM 0 HG3 GLN A 371 -6.246 -11.690 5.997 1.00 3.91 H new ATOM 0 HE21 GLN A 371 -8.349 -11.307 5.704 1.00 5.04 H new ATOM 0 HE22 GLN A 371 -9.214 -11.451 4.171 1.00 5.04 H new ATOM 135 N LYS A 372 -3.605 -8.977 6.775 1.00 1.82 N ATOM 136 CA LYS A 372 -3.865 -8.185 7.973 1.00 1.77 C ATOM 137 C LYS A 372 -4.117 -6.719 7.629 1.00 1.50 C ATOM 138 O LYS A 372 -3.426 -5.826 8.122 1.00 1.89 O ATOM 139 CB LYS A 372 -2.690 -8.294 8.943 1.00 2.26 C ATOM 140 CG LYS A 372 -2.355 -9.725 9.328 1.00 2.93 C ATOM 141 CD LYS A 372 -1.321 -9.782 10.442 1.00 3.98 C ATOM 142 CE LYS A 372 -1.016 -11.216 10.844 1.00 4.77 C ATOM 143 NZ LYS A 372 0.032 -11.287 11.900 1.00 5.39 N ATOM 0 H LYS A 372 -3.130 -8.472 6.027 1.00 1.82 H new ATOM 0 HA LYS A 372 -4.763 -8.583 8.445 1.00 1.77 H new ATOM 0 HB2 LYS A 372 -1.812 -7.832 8.492 1.00 2.26 H new ATOM 0 HB3 LYS A 372 -2.920 -7.727 9.845 1.00 2.26 H new ATOM 0 HG2 LYS A 372 -3.262 -10.238 9.648 1.00 2.93 H new ATOM 0 HG3 LYS A 372 -1.979 -10.258 8.455 1.00 2.93 H new ATOM 0 HD2 LYS A 372 -0.404 -9.292 10.115 1.00 3.98 H new ATOM 0 HD3 LYS A 372 -1.686 -9.230 11.308 1.00 3.98 H new ATOM 0 HE2 LYS A 372 -1.927 -11.693 11.204 1.00 4.77 H new ATOM 0 HE3 LYS A 372 -0.688 -11.776 9.969 1.00 4.77 H new ATOM 0 HZ1 LYS A 372 0.210 -12.282 12.146 1.00 5.39 H new ATOM 0 HZ2 LYS A 372 0.910 -10.855 11.548 1.00 5.39 H new ATOM 0 HZ3 LYS A 372 -0.291 -10.774 12.745 1.00 5.39 H new ATOM 157 N ILE A 373 -5.122 -6.480 6.794 1.00 1.42 N ATOM 158 CA ILE A 373 -5.487 -5.128 6.390 1.00 1.22 C ATOM 159 C ILE A 373 -7.003 -4.969 6.388 1.00 1.13 C ATOM 160 O ILE A 373 -7.636 -4.956 5.333 1.00 1.20 O ATOM 161 CB ILE A 373 -4.952 -4.792 4.987 1.00 1.16 C ATOM 162 CG1 ILE A 373 -3.457 -5.104 4.896 1.00 1.40 C ATOM 163 CG2 ILE A 373 -5.222 -3.329 4.653 1.00 1.26 C ATOM 164 CD1 ILE A 373 -2.583 -4.196 5.738 1.00 1.48 C ATOM 0 H ILE A 373 -5.702 -7.211 6.381 1.00 1.42 H new ATOM 0 HA ILE A 373 -5.038 -4.443 7.110 1.00 1.22 H new ATOM 0 HB ILE A 373 -5.473 -5.411 4.257 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -3.293 -6.137 5.204 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -3.144 -5.029 3.855 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -4.838 -3.106 3.658 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -6.296 -3.142 4.678 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -4.726 -2.691 5.384 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -1.538 -4.483 5.618 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -2.715 -3.163 5.416 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -2.866 -4.288 6.786 1.00 1.48 H new ATOM 176 N ASP A 374 -7.584 -4.871 7.579 1.00 1.16 N ATOM 177 CA ASP A 374 -9.009 -4.737 7.723 1.00 1.17 C ATOM 178 C ASP A 374 -9.432 -3.275 7.652 1.00 1.03 C ATOM 179 O ASP A 374 -9.149 -2.486 8.554 1.00 1.25 O ATOM 180 CB ASP A 374 -9.413 -5.337 9.059 1.00 1.40 C ATOM 181 CG ASP A 374 -9.346 -6.851 9.063 1.00 1.77 C ATOM 182 OD1 ASP A 374 -10.060 -7.479 8.254 1.00 2.04 O ATOM 183 OD2 ASP A 374 -8.581 -7.408 9.877 1.00 2.17 O ATOM 0 H ASP A 374 -7.073 -4.883 8.462 1.00 1.16 H new ATOM 0 HA ASP A 374 -9.507 -5.262 6.907 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -8.761 -4.946 9.840 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -10.427 -5.021 9.303 1.00 1.40 H new ATOM 188 N ILE A 375 -10.112 -2.925 6.567 1.00 0.84 N ATOM 189 CA ILE A 375 -10.584 -1.564 6.357 1.00 0.76 C ATOM 190 C ILE A 375 -11.859 -1.295 7.143 1.00 0.76 C ATOM 191 O ILE A 375 -12.054 -0.202 7.672 1.00 0.79 O ATOM 192 CB ILE A 375 -10.869 -1.296 4.873 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.610 -1.513 4.037 1.00 0.82 C ATOM 194 CG2 ILE A 375 -11.410 0.115 4.692 1.00 0.84 C ATOM 195 CD1 ILE A 375 -9.892 -1.601 2.555 1.00 0.92 C ATOM 0 H ILE A 375 -10.350 -3.571 5.814 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.791 -0.902 6.704 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.625 -2.001 4.526 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.913 -0.695 4.221 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.118 -2.430 4.363 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.609 0.296 3.636 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -12.334 0.226 5.260 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.675 0.835 5.051 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -8.958 -1.755 2.015 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -10.565 -2.436 2.362 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -10.357 -0.675 2.217 1.00 0.92 H new ATOM 207 N SER A 376 -12.731 -2.297 7.183 1.00 0.79 N ATOM 208 CA SER A 376 -14.011 -2.195 7.876 1.00 0.87 C ATOM 209 C SER A 376 -13.839 -2.168 9.394 1.00 0.96 C ATOM 210 O SER A 376 -14.376 -3.018 10.105 1.00 1.54 O ATOM 211 CB SER A 376 -14.911 -3.358 7.468 1.00 0.95 C ATOM 212 OG SER A 376 -15.318 -3.240 6.116 1.00 1.71 O ATOM 0 H SER A 376 -12.571 -3.200 6.737 1.00 0.79 H new ATOM 0 HA SER A 376 -14.474 -1.252 7.585 1.00 0.87 H new ATOM 0 HB2 SER A 376 -14.380 -4.299 7.610 1.00 0.95 H new ATOM 0 HB3 SER A 376 -15.789 -3.386 8.114 1.00 0.95 H new ATOM 0 HG SER A 376 -15.892 -3.998 5.880 1.00 1.71 H new ATOM 218 N GLU A 377 -13.095 -1.180 9.884 1.00 0.93 N ATOM 219 CA GLU A 377 -12.855 -1.028 11.311 1.00 1.03 C ATOM 220 C GLU A 377 -12.089 0.258 11.588 1.00 0.87 C ATOM 221 O GLU A 377 -12.244 0.874 12.643 1.00 0.93 O ATOM 222 CB GLU A 377 -12.083 -2.228 11.862 1.00 1.18 C ATOM 223 CG GLU A 377 -10.707 -2.412 11.240 1.00 1.28 C ATOM 224 CD GLU A 377 -9.931 -3.546 11.878 1.00 1.54 C ATOM 225 OE1 GLU A 377 -10.430 -4.692 11.861 1.00 1.92 O ATOM 226 OE2 GLU A 377 -8.823 -3.290 12.395 1.00 1.90 O ATOM 0 H GLU A 377 -12.646 -0.469 9.306 1.00 0.93 H new ATOM 0 HA GLU A 377 -13.821 -0.977 11.814 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -11.971 -2.112 12.940 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -12.669 -3.132 11.697 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -10.817 -2.606 10.173 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -10.140 -1.486 11.339 1.00 1.28 H new ATOM 233 N ASN A 378 -11.263 0.656 10.629 1.00 0.71 N ATOM 234 CA ASN A 378 -10.465 1.870 10.755 1.00 0.61 C ATOM 235 C ASN A 378 -10.077 2.421 9.382 1.00 0.58 C ATOM 236 O ASN A 378 -8.895 2.570 9.078 1.00 0.59 O ATOM 237 CB ASN A 378 -9.209 1.599 11.595 1.00 0.62 C ATOM 238 CG ASN A 378 -8.391 0.421 11.089 1.00 1.15 C ATOM 239 OD1 ASN A 378 -7.518 -0.084 11.794 1.00 1.16 O ATOM 240 ND2 ASN A 378 -8.649 -0.009 9.860 1.00 2.14 N ATOM 0 H ASN A 378 -11.128 0.154 9.752 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.072 2.621 11.261 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.584 2.492 11.600 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -9.504 1.411 12.627 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -8.115 -0.785 9.469 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -9.381 0.436 9.307 1.00 2.14 H new ATOM 247 N PRO A 379 -11.071 2.736 8.527 1.00 0.62 N ATOM 248 CA PRO A 379 -10.809 3.276 7.189 1.00 0.65 C ATOM 249 C PRO A 379 -9.913 4.504 7.250 1.00 0.61 C ATOM 250 O PRO A 379 -9.027 4.686 6.413 1.00 0.62 O ATOM 251 CB PRO A 379 -12.201 3.649 6.672 1.00 0.77 C ATOM 252 CG PRO A 379 -13.139 2.784 7.440 1.00 0.85 C ATOM 253 CD PRO A 379 -12.516 2.602 8.796 1.00 0.75 C ATOM 0 HA PRO A 379 -10.289 2.564 6.548 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.413 4.705 6.836 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.286 3.470 5.600 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.122 3.249 7.521 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.281 1.824 6.943 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.865 3.355 9.503 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.757 1.628 9.222 1.00 0.75 H new ATOM 261 N ASP A 380 -10.150 5.340 8.255 1.00 0.62 N ATOM 262 CA ASP A 380 -9.369 6.554 8.448 1.00 0.64 C ATOM 263 C ASP A 380 -7.911 6.228 8.757 1.00 0.55 C ATOM 264 O ASP A 380 -7.012 6.993 8.406 1.00 0.55 O ATOM 265 CB ASP A 380 -9.958 7.388 9.584 1.00 0.75 C ATOM 266 CG ASP A 380 -11.372 7.853 9.290 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.248 6.989 9.080 1.00 1.20 O ATOM 268 OD2 ASP A 380 -11.601 9.080 9.268 1.00 1.21 O ATOM 0 H ASP A 380 -10.881 5.197 8.952 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.408 7.125 7.521 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -9.956 6.800 10.501 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.323 8.256 9.760 1.00 0.75 H new ATOM 273 N LYS A 381 -7.685 5.095 9.424 1.00 0.51 N ATOM 274 CA LYS A 381 -6.332 4.677 9.788 1.00 0.47 C ATOM 275 C LYS A 381 -5.381 4.833 8.607 1.00 0.39 C ATOM 276 O LYS A 381 -5.636 4.324 7.516 1.00 0.37 O ATOM 277 CB LYS A 381 -6.329 3.227 10.281 1.00 0.50 C ATOM 278 CG LYS A 381 -4.936 2.665 10.517 1.00 0.52 C ATOM 279 CD LYS A 381 -4.986 1.245 11.057 1.00 0.59 C ATOM 280 CE LYS A 381 -3.601 0.622 11.127 1.00 0.67 C ATOM 281 NZ LYS A 381 -3.639 -0.755 11.692 1.00 1.66 N ATOM 0 H LYS A 381 -8.419 4.453 9.722 1.00 0.51 H new ATOM 0 HA LYS A 381 -5.987 5.321 10.597 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.898 3.167 11.209 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.844 2.603 9.551 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.375 2.679 9.583 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.401 3.303 11.220 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.434 1.249 12.051 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.628 0.636 10.420 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.165 0.593 10.128 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.952 1.248 11.740 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -2.675 -1.144 11.723 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -4.031 -0.724 12.655 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -4.238 -1.359 11.094 1.00 1.66 H new ATOM 295 N ILE A 382 -4.294 5.561 8.830 1.00 0.40 N ATOM 296 CA ILE A 382 -3.308 5.811 7.792 1.00 0.35 C ATOM 297 C ILE A 382 -2.366 4.622 7.602 1.00 0.34 C ATOM 298 O ILE A 382 -1.696 4.194 8.542 1.00 0.41 O ATOM 299 CB ILE A 382 -2.466 7.058 8.133 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.368 8.211 8.584 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.622 7.472 6.939 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.446 8.578 7.587 1.00 0.37 C ATOM 0 H ILE A 382 -4.074 5.991 9.729 1.00 0.40 H new ATOM 0 HA ILE A 382 -3.860 5.973 6.866 1.00 0.35 H new ATOM 0 HB ILE A 382 -1.797 6.807 8.956 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -3.839 7.941 9.529 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -2.750 9.089 8.774 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.034 8.353 7.197 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -0.952 6.656 6.666 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.273 7.704 6.096 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.041 9.402 7.981 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -3.984 8.881 6.647 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.090 7.716 7.414 1.00 0.37 H new ATOM 314 N TYR A 383 -2.298 4.112 6.374 1.00 0.30 N ATOM 315 CA TYR A 383 -1.410 2.995 6.056 1.00 0.30 C ATOM 316 C TYR A 383 -0.271 3.483 5.171 1.00 0.28 C ATOM 317 O TYR A 383 -0.472 4.344 4.321 1.00 0.25 O ATOM 318 CB TYR A 383 -2.163 1.869 5.340 1.00 0.32 C ATOM 319 CG TYR A 383 -3.261 1.229 6.158 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.462 1.891 6.378 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.092 -0.026 6.727 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.464 1.320 7.139 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.091 -0.606 7.487 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.290 0.029 7.635 1.00 0.52 C ATOM 325 OH TYR A 383 -6.270 -0.501 8.447 1.00 0.63 O ATOM 0 H TYR A 383 -2.846 4.453 5.584 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.015 2.601 6.992 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.596 2.266 4.422 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.448 1.099 5.049 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.615 2.869 5.947 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.165 -0.558 6.573 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.371 1.868 7.347 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -3.923 -1.561 7.963 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.016 -1.408 8.718 1.00 0.63 H new ATOM 335 N PHE A 384 0.923 2.935 5.363 1.00 0.31 N ATOM 336 CA PHE A 384 2.070 3.341 4.558 1.00 0.30 C ATOM 337 C PHE A 384 2.202 2.452 3.323 1.00 0.28 C ATOM 338 O PHE A 384 2.003 1.239 3.397 1.00 0.33 O ATOM 339 CB PHE A 384 3.352 3.306 5.389 1.00 0.40 C ATOM 340 CG PHE A 384 3.214 3.975 6.729 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.749 3.268 7.827 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.558 5.307 6.891 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.627 3.880 9.061 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.438 5.924 8.122 1.00 0.64 C ATOM 345 CZ PHE A 384 2.947 5.213 9.204 1.00 0.74 C ATOM 0 H PHE A 384 1.122 2.217 6.060 1.00 0.31 H new ATOM 0 HA PHE A 384 1.908 4.366 4.225 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.651 2.269 5.538 1.00 0.40 H new ATOM 0 HB3 PHE A 384 4.152 3.791 4.830 1.00 0.40 H new ATOM 0 HD1 PHE A 384 2.479 2.228 7.717 1.00 0.83 H new ATOM 0 HD2 PHE A 384 3.924 5.870 6.045 1.00 0.57 H new ATOM 0 HE1 PHE A 384 2.281 3.313 9.913 1.00 0.96 H new ATOM 0 HE2 PHE A 384 3.726 6.958 8.240 1.00 0.64 H new ATOM 0 HZ PHE A 384 2.815 5.702 10.158 1.00 0.74 H new ATOM 355 N ILE A 385 2.520 3.066 2.185 1.00 0.26 N ATOM 356 CA ILE A 385 2.656 2.332 0.930 1.00 0.27 C ATOM 357 C ILE A 385 4.026 2.561 0.295 1.00 0.24 C ATOM 358 O ILE A 385 4.464 3.699 0.139 1.00 0.30 O ATOM 359 CB ILE A 385 1.577 2.746 -0.096 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.174 2.696 0.518 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.644 1.849 -1.320 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.122 3.841 1.458 1.00 0.32 C ATOM 0 H ILE A 385 2.688 4.069 2.107 1.00 0.26 H new ATOM 0 HA ILE A 385 2.535 1.278 1.182 1.00 0.27 H new ATOM 0 HB ILE A 385 1.777 3.775 -0.395 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.564 2.697 -0.284 1.00 0.32 H new ATOM 0 HG13 ILE A 385 0.057 1.756 1.057 1.00 0.32 H new ATOM 0 HG21 ILE A 385 0.879 2.151 -2.035 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.627 1.937 -1.782 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.474 0.814 -1.023 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.133 3.736 1.852 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.592 3.829 2.282 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.039 4.785 0.919 1.00 0.32 H new ATOM 374 N ARG A 386 4.690 1.473 -0.083 1.00 0.29 N ATOM 375 CA ARG A 386 6.002 1.560 -0.715 1.00 0.30 C ATOM 376 C ARG A 386 5.886 1.434 -2.231 1.00 0.33 C ATOM 377 O ARG A 386 5.381 0.432 -2.741 1.00 0.42 O ATOM 378 CB ARG A 386 6.925 0.468 -0.174 1.00 0.38 C ATOM 379 CG ARG A 386 8.289 0.439 -0.844 1.00 0.50 C ATOM 380 CD ARG A 386 9.146 -0.701 -0.319 1.00 1.02 C ATOM 381 NE ARG A 386 10.459 -0.748 -0.962 1.00 1.40 N ATOM 382 CZ ARG A 386 10.650 -1.026 -2.251 1.00 1.86 C ATOM 383 NH1 ARG A 386 9.620 -1.316 -3.038 1.00 2.42 N ATOM 384 NH2 ARG A 386 11.877 -1.026 -2.754 1.00 2.39 N ATOM 0 H ARG A 386 4.342 0.522 0.037 1.00 0.29 H new ATOM 0 HA ARG A 386 6.426 2.536 -0.480 1.00 0.30 H new ATOM 0 HB2 ARG A 386 7.059 0.615 0.898 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.444 -0.501 -0.306 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.163 0.334 -1.922 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.799 1.387 -0.673 1.00 0.50 H new ATOM 0 HD2 ARG A 386 9.275 -0.590 0.758 1.00 1.02 H new ATOM 0 HD3 ARG A 386 8.629 -1.647 -0.483 1.00 1.02 H new ATOM 0 HE ARG A 386 11.280 -0.556 -0.388 1.00 1.40 H new ATOM 0 HH11 ARG A 386 8.674 -1.327 -2.657 1.00 2.42 H new ATOM 0 HH12 ARG A 386 9.775 -1.528 -4.024 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.674 -0.813 -2.154 1.00 2.39 H new ATOM 0 HH22 ARG A 386 12.024 -1.239 -3.741 1.00 2.39 H new ATOM 398 N ARG A 387 6.368 2.444 -2.949 1.00 0.41 N ATOM 399 CA ARG A 387 6.326 2.427 -4.407 1.00 0.51 C ATOM 400 C ARG A 387 7.499 1.632 -4.972 1.00 0.49 C ATOM 401 O ARG A 387 8.253 1.009 -4.224 1.00 0.47 O ATOM 402 CB ARG A 387 6.337 3.854 -4.964 1.00 0.63 C ATOM 403 CG ARG A 387 5.072 4.640 -4.652 1.00 0.84 C ATOM 404 CD ARG A 387 5.086 6.013 -5.308 1.00 0.94 C ATOM 405 NE ARG A 387 5.276 5.927 -6.754 1.00 1.32 N ATOM 406 CZ ARG A 387 5.347 6.985 -7.555 1.00 1.79 C ATOM 407 NH1 ARG A 387 5.242 8.209 -7.056 1.00 2.30 N ATOM 408 NH2 ARG A 387 5.523 6.819 -8.859 1.00 2.25 N ATOM 0 H ARG A 387 6.790 3.281 -2.547 1.00 0.41 H new ATOM 0 HA ARG A 387 5.399 1.941 -4.713 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.196 4.387 -4.557 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.471 3.812 -6.045 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.202 4.081 -4.997 1.00 0.84 H new ATOM 0 HG3 ARG A 387 4.971 4.753 -3.573 1.00 0.84 H new ATOM 0 HD2 ARG A 387 4.148 6.526 -5.096 1.00 0.94 H new ATOM 0 HD3 ARG A 387 5.884 6.615 -4.873 1.00 0.94 H new ATOM 0 HE ARG A 387 5.359 5.001 -7.173 1.00 1.32 H new ATOM 0 HH11 ARG A 387 5.106 8.341 -6.054 1.00 2.30 H new ATOM 0 HH12 ARG A 387 5.297 9.018 -7.674 1.00 2.30 H new ATOM 0 HH21 ARG A 387 5.604 5.879 -9.247 1.00 2.25 H new ATOM 0 HH22 ARG A 387 5.577 7.631 -9.474 1.00 2.25 H new ATOM 422 N GLU A 388 7.652 1.658 -6.294 1.00 0.64 N ATOM 423 CA GLU A 388 8.738 0.939 -6.952 1.00 0.69 C ATOM 424 C GLU A 388 10.092 1.497 -6.529 1.00 0.61 C ATOM 425 O GLU A 388 11.019 0.744 -6.228 1.00 0.63 O ATOM 426 CB GLU A 388 8.593 1.018 -8.475 1.00 0.88 C ATOM 427 CG GLU A 388 7.469 0.160 -9.044 1.00 1.58 C ATOM 428 CD GLU A 388 6.089 0.597 -8.587 1.00 2.20 C ATOM 429 OE1 GLU A 388 5.771 0.423 -7.393 1.00 2.65 O ATOM 430 OE2 GLU A 388 5.324 1.112 -9.429 1.00 2.82 O ATOM 0 H GLU A 388 7.038 2.169 -6.929 1.00 0.64 H new ATOM 0 HA GLU A 388 8.681 -0.106 -6.647 1.00 0.69 H new ATOM 0 HB2 GLU A 388 8.421 2.056 -8.758 1.00 0.88 H new ATOM 0 HB3 GLU A 388 9.534 0.714 -8.934 1.00 0.88 H new ATOM 0 HG2 GLU A 388 7.511 0.194 -10.133 1.00 1.58 H new ATOM 0 HG3 GLU A 388 7.629 -0.878 -8.751 1.00 1.58 H new ATOM 437 N ASP A 389 10.197 2.823 -6.504 1.00 0.65 N ATOM 438 CA ASP A 389 11.435 3.489 -6.112 1.00 0.69 C ATOM 439 C ASP A 389 11.693 3.341 -4.612 1.00 0.64 C ATOM 440 O ASP A 389 12.640 3.918 -4.077 1.00 0.91 O ATOM 441 CB ASP A 389 11.385 4.969 -6.498 1.00 0.81 C ATOM 442 CG ASP A 389 10.162 5.676 -5.944 1.00 0.80 C ATOM 443 OD1 ASP A 389 9.358 5.016 -5.254 1.00 1.06 O ATOM 444 OD2 ASP A 389 10.011 6.889 -6.198 1.00 1.23 O ATOM 0 H ASP A 389 9.438 3.458 -6.751 1.00 0.65 H new ATOM 0 HA ASP A 389 12.258 3.011 -6.643 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.284 5.466 -6.133 1.00 0.81 H new ATOM 0 HB3 ASP A 389 11.390 5.058 -7.584 1.00 0.81 H new ATOM 449 N GLY A 390 10.848 2.560 -3.944 1.00 0.55 N ATOM 450 CA GLY A 390 10.999 2.343 -2.516 1.00 0.53 C ATOM 451 C GLY A 390 10.645 3.563 -1.689 1.00 0.55 C ATOM 452 O GLY A 390 11.173 3.748 -0.592 1.00 1.03 O ATOM 0 H GLY A 390 10.059 2.072 -4.368 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.366 1.509 -2.212 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.029 2.055 -2.305 1.00 0.53 H new ATOM 456 N THR A 391 9.740 4.391 -2.202 1.00 0.57 N ATOM 457 CA THR A 391 9.314 5.586 -1.485 1.00 0.54 C ATOM 458 C THR A 391 8.063 5.314 -0.666 1.00 0.41 C ATOM 459 O THR A 391 6.977 5.132 -1.219 1.00 0.44 O ATOM 460 CB THR A 391 9.027 6.763 -2.437 1.00 0.71 C ATOM 461 OG1 THR A 391 8.078 6.371 -3.435 1.00 0.98 O ATOM 462 CG2 THR A 391 10.304 7.251 -3.100 1.00 0.88 C ATOM 0 H THR A 391 9.290 4.257 -3.107 1.00 0.57 H new ATOM 0 HA THR A 391 10.140 5.857 -0.827 1.00 0.54 H new ATOM 0 HB THR A 391 8.611 7.581 -1.848 1.00 0.71 H new ATOM 0 HG1 THR A 391 8.550 5.986 -4.202 1.00 0.98 H new ATOM 0 HG21 THR A 391 10.073 8.082 -3.767 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.007 7.583 -2.336 1.00 0.88 H new ATOM 0 HG23 THR A 391 10.750 6.438 -3.674 1.00 0.88 H new ATOM 470 N VAL A 392 8.211 5.304 0.652 1.00 0.37 N ATOM 471 CA VAL A 392 7.079 5.073 1.532 1.00 0.33 C ATOM 472 C VAL A 392 6.199 6.317 1.581 1.00 0.32 C ATOM 473 O VAL A 392 6.695 7.430 1.761 1.00 0.41 O ATOM 474 CB VAL A 392 7.528 4.707 2.958 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.322 4.368 3.822 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.515 3.550 2.928 1.00 0.52 C ATOM 0 H VAL A 392 9.099 5.452 1.131 1.00 0.37 H new ATOM 0 HA VAL A 392 6.515 4.231 1.129 1.00 0.33 H new ATOM 0 HB VAL A 392 8.031 5.569 3.396 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.655 4.111 4.827 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.655 5.229 3.870 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.791 3.521 3.389 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.821 3.306 3.945 1.00 0.52 H new ATOM 0 HG22 VAL A 392 8.042 2.680 2.473 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.391 3.834 2.344 1.00 0.52 H new ATOM 486 N HIS A 393 4.897 6.127 1.411 1.00 0.29 N ATOM 487 CA HIS A 393 3.958 7.239 1.427 1.00 0.31 C ATOM 488 C HIS A 393 2.629 6.824 2.047 1.00 0.27 C ATOM 489 O HIS A 393 2.102 5.756 1.744 1.00 0.26 O ATOM 490 CB HIS A 393 3.724 7.758 0.006 1.00 0.37 C ATOM 491 CG HIS A 393 4.861 8.565 -0.535 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.250 9.772 0.007 1.00 1.92 N ATOM 493 CD2 HIS A 393 5.691 8.341 -1.580 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.267 10.255 -0.681 1.00 2.43 C ATOM 495 NE2 HIS A 393 6.556 9.406 -1.649 1.00 1.82 N ATOM 0 H HIS A 393 4.468 5.214 1.261 1.00 0.29 H new ATOM 0 HA HIS A 393 4.391 8.034 2.034 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.545 6.911 -0.656 1.00 0.37 H new ATOM 0 HB3 HIS A 393 2.820 8.367 -0.004 1.00 0.37 H new ATOM 0 HD2 HIS A 393 5.676 7.484 -2.237 1.00 0.94 H new ATOM 0 HE1 HIS A 393 6.776 11.187 -0.485 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.300 9.522 -2.337 1.00 1.82 H new ATOM 504 N ARG A 394 2.093 7.673 2.916 1.00 0.29 N ATOM 505 CA ARG A 394 0.825 7.392 3.583 1.00 0.28 C ATOM 506 C ARG A 394 -0.307 7.194 2.577 1.00 0.26 C ATOM 507 O ARG A 394 -0.286 7.755 1.481 1.00 0.32 O ATOM 508 CB ARG A 394 0.479 8.515 4.557 1.00 0.35 C ATOM 509 CG ARG A 394 1.542 8.741 5.619 1.00 0.42 C ATOM 510 CD ARG A 394 1.164 9.876 6.557 1.00 0.52 C ATOM 511 NE ARG A 394 2.192 10.124 7.565 1.00 1.34 N ATOM 512 CZ ARG A 394 3.422 10.550 7.282 1.00 2.01 C ATOM 513 NH1 ARG A 394 3.770 10.802 6.026 1.00 2.41 N ATOM 514 NH2 ARG A 394 4.301 10.733 8.257 1.00 2.96 N ATOM 0 H ARG A 394 2.517 8.564 3.176 1.00 0.29 H new ATOM 0 HA ARG A 394 0.941 6.462 4.139 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.333 9.439 3.998 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.468 8.284 5.045 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.684 7.825 6.193 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.494 8.967 5.139 1.00 0.42 H new ATOM 0 HD2 ARG A 394 0.999 10.784 5.978 1.00 0.52 H new ATOM 0 HD3 ARG A 394 0.222 9.638 7.052 1.00 0.52 H new ATOM 0 HE ARG A 394 1.954 9.961 8.543 1.00 1.34 H new ATOM 0 HH11 ARG A 394 3.095 10.670 5.273 1.00 2.41 H new ATOM 0 HH12 ARG A 394 4.713 11.128 5.814 1.00 2.41 H new ATOM 0 HH21 ARG A 394 4.036 10.548 9.224 1.00 2.96 H new ATOM 0 HH22 ARG A 394 5.243 11.059 8.040 1.00 2.96 H new ATOM 528 N GLY A 395 -1.287 6.380 2.962 1.00 0.23 N ATOM 529 CA GLY A 395 -2.421 6.098 2.098 1.00 0.25 C ATOM 530 C GLY A 395 -3.446 5.202 2.774 1.00 0.23 C ATOM 531 O GLY A 395 -3.089 4.189 3.377 1.00 0.26 O ATOM 0 H GLY A 395 -1.315 5.907 3.865 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.896 7.035 1.806 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -2.069 5.620 1.184 1.00 0.25 H new ATOM 535 N GLN A 396 -4.719 5.577 2.685 1.00 0.29 N ATOM 536 CA GLN A 396 -5.795 4.800 3.301 1.00 0.34 C ATOM 537 C GLN A 396 -6.355 3.755 2.337 1.00 0.35 C ATOM 538 O GLN A 396 -6.719 4.076 1.207 1.00 0.46 O ATOM 539 CB GLN A 396 -6.927 5.728 3.750 1.00 0.43 C ATOM 540 CG GLN A 396 -6.510 6.756 4.790 1.00 0.50 C ATOM 541 CD GLN A 396 -7.649 7.671 5.189 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.758 7.218 5.471 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.369 8.964 5.237 1.00 0.61 N ATOM 0 H GLN A 396 -5.033 6.414 2.193 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.374 4.284 4.164 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.323 6.249 2.878 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.738 5.124 4.156 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -6.134 6.242 5.675 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.688 7.354 4.396 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -6.435 9.293 4.994 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.088 9.631 5.517 1.00 0.61 H new ATOM 552 N VAL A 397 -6.452 2.508 2.798 1.00 0.33 N ATOM 553 CA VAL A 397 -7.003 1.438 1.972 1.00 0.33 C ATOM 554 C VAL A 397 -8.523 1.425 2.098 1.00 0.33 C ATOM 555 O VAL A 397 -9.056 1.400 3.207 1.00 0.37 O ATOM 556 CB VAL A 397 -6.447 0.055 2.373 1.00 0.38 C ATOM 557 CG1 VAL A 397 -6.755 -0.977 1.300 1.00 0.73 C ATOM 558 CG2 VAL A 397 -4.954 0.133 2.641 1.00 0.83 C ATOM 0 H VAL A 397 -6.159 2.217 3.731 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.709 1.633 0.941 1.00 0.33 H new ATOM 0 HB VAL A 397 -6.938 -0.259 3.294 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.355 -1.945 1.601 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.834 -1.055 1.169 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.297 -0.672 0.359 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.583 -0.853 2.922 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.440 0.471 1.741 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.766 0.836 3.452 1.00 0.83 H new ATOM 568 N LEU A 398 -9.221 1.468 0.967 1.00 0.36 N ATOM 569 CA LEU A 398 -10.681 1.487 0.982 1.00 0.40 C ATOM 570 C LEU A 398 -11.282 0.306 0.221 1.00 0.41 C ATOM 571 O LEU A 398 -12.286 -0.266 0.645 1.00 0.47 O ATOM 572 CB LEU A 398 -11.195 2.801 0.388 1.00 0.46 C ATOM 573 CG LEU A 398 -10.644 4.072 1.042 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.170 5.308 0.328 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.007 4.116 2.519 1.00 1.45 C ATOM 0 H LEU A 398 -8.804 1.490 0.036 1.00 0.36 H new ATOM 0 HA LEU A 398 -10.995 1.403 2.022 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -10.949 2.822 -0.674 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.282 2.815 0.464 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.557 4.058 0.956 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.769 6.202 0.805 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.860 5.284 -0.717 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.258 5.324 0.383 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.606 5.026 2.965 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.092 4.105 2.628 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.583 3.248 3.024 1.00 1.45 H new ATOM 587 N GLN A 399 -10.682 -0.038 -0.914 1.00 0.39 N ATOM 588 CA GLN A 399 -11.183 -1.132 -1.742 1.00 0.43 C ATOM 589 C GLN A 399 -10.087 -2.135 -2.090 1.00 0.38 C ATOM 590 O GLN A 399 -8.922 -1.950 -1.735 1.00 0.35 O ATOM 591 CB GLN A 399 -11.800 -0.580 -3.027 1.00 0.49 C ATOM 592 CG GLN A 399 -12.988 0.337 -2.786 1.00 0.60 C ATOM 593 CD GLN A 399 -14.142 -0.373 -2.103 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.674 -1.356 -2.619 1.00 2.08 O ATOM 595 NE2 GLN A 399 -14.535 0.125 -0.937 1.00 2.04 N ATOM 0 H GLN A 399 -9.850 0.423 -1.282 1.00 0.39 H new ATOM 0 HA GLN A 399 -11.943 -1.655 -1.162 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.037 -0.034 -3.581 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.116 -1.413 -3.655 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -12.672 1.182 -2.174 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -13.328 0.743 -3.739 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -14.065 0.942 -0.547 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -15.307 -0.309 -0.431 1.00 2.04 H new ATOM 604 N SER A 400 -10.480 -3.202 -2.782 1.00 0.42 N ATOM 605 CA SER A 400 -9.550 -4.251 -3.188 1.00 0.41 C ATOM 606 C SER A 400 -10.148 -5.093 -4.317 1.00 0.47 C ATOM 607 O SER A 400 -11.366 -5.252 -4.402 1.00 0.54 O ATOM 608 CB SER A 400 -9.199 -5.145 -1.999 1.00 0.47 C ATOM 609 OG SER A 400 -10.352 -5.793 -1.489 1.00 0.56 O ATOM 0 H SER A 400 -11.444 -3.363 -3.075 1.00 0.42 H new ATOM 0 HA SER A 400 -8.639 -3.776 -3.551 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.465 -5.890 -2.305 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.737 -4.546 -1.214 1.00 0.47 H new ATOM 0 HG SER A 400 -10.100 -6.360 -0.730 1.00 0.56 H new ATOM 615 N ARG A 401 -9.288 -5.621 -5.186 1.00 0.51 N ATOM 616 CA ARG A 401 -9.742 -6.435 -6.309 1.00 0.60 C ATOM 617 C ARG A 401 -8.600 -7.263 -6.892 1.00 0.73 C ATOM 618 O ARG A 401 -7.460 -6.804 -6.977 1.00 0.86 O ATOM 619 CB ARG A 401 -10.319 -5.546 -7.416 1.00 0.65 C ATOM 620 CG ARG A 401 -9.248 -4.930 -8.306 1.00 0.72 C ATOM 621 CD ARG A 401 -9.840 -4.076 -9.414 1.00 0.91 C ATOM 622 NE ARG A 401 -8.815 -3.660 -10.369 1.00 1.02 N ATOM 623 CZ ARG A 401 -9.014 -2.766 -11.332 1.00 1.25 C ATOM 624 NH1 ARG A 401 -10.203 -2.196 -11.480 1.00 1.55 N ATOM 625 NH2 ARG A 401 -8.021 -2.443 -12.149 1.00 1.43 N ATOM 0 H ARG A 401 -8.277 -5.500 -5.134 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.513 -7.107 -5.931 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -10.998 -6.136 -8.031 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -10.909 -4.749 -6.963 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -8.580 -4.320 -7.698 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -8.643 -5.723 -8.745 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -10.617 -4.637 -9.933 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -10.317 -3.196 -8.982 1.00 0.91 H new ATOM 0 HE ARG A 401 -7.890 -4.082 -10.292 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -10.969 -2.443 -10.853 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -10.351 -1.510 -12.220 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -7.106 -2.880 -12.038 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -8.172 -1.757 -12.889 1.00 1.43 H new ATOM 639 N THR A 402 -8.927 -8.473 -7.320 1.00 0.82 N ATOM 640 CA THR A 402 -7.961 -9.367 -7.932 1.00 0.99 C ATOM 641 C THR A 402 -8.343 -9.610 -9.382 1.00 1.16 C ATOM 642 O THR A 402 -9.509 -9.869 -9.687 1.00 1.79 O ATOM 643 CB THR A 402 -7.907 -10.716 -7.201 1.00 1.14 C ATOM 644 OG1 THR A 402 -9.228 -11.253 -7.064 1.00 1.38 O ATOM 645 CG2 THR A 402 -7.265 -10.568 -5.833 1.00 1.29 C ATOM 0 H THR A 402 -9.868 -8.860 -7.252 1.00 0.82 H new ATOM 0 HA THR A 402 -6.980 -8.897 -7.869 1.00 0.99 H new ATOM 0 HB THR A 402 -7.299 -11.400 -7.793 1.00 1.14 H new ATOM 0 HG1 THR A 402 -9.785 -10.946 -7.810 1.00 1.38 H new ATOM 0 HG21 THR A 402 -7.239 -11.538 -5.336 1.00 1.29 H new ATOM 0 HG22 THR A 402 -6.248 -10.191 -5.947 1.00 1.29 H new ATOM 0 HG23 THR A 402 -7.846 -9.868 -5.232 1.00 1.29 H new ATOM 653 N THR A 403 -7.366 -9.526 -10.273 1.00 1.43 N ATOM 654 CA THR A 403 -7.610 -9.741 -11.692 1.00 1.62 C ATOM 655 C THR A 403 -8.195 -11.138 -11.914 1.00 1.84 C ATOM 656 O THR A 403 -8.486 -11.845 -10.947 1.00 1.85 O ATOM 657 CB THR A 403 -6.306 -9.589 -12.492 1.00 1.77 C ATOM 658 OG1 THR A 403 -5.508 -8.542 -11.927 1.00 1.78 O ATOM 659 CG2 THR A 403 -6.592 -9.254 -13.948 1.00 1.95 C ATOM 0 H THR A 403 -6.397 -9.311 -10.039 1.00 1.43 H new ATOM 0 HA THR A 403 -8.322 -8.992 -12.040 1.00 1.62 H new ATOM 0 HB THR A 403 -5.772 -10.538 -12.445 1.00 1.77 H new ATOM 0 HG1 THR A 403 -4.759 -8.342 -12.526 1.00 1.78 H new ATOM 0 HG21 THR A 403 -5.651 -9.152 -14.489 1.00 1.95 H new ATOM 0 HG22 THR A 403 -7.184 -10.052 -14.396 1.00 1.95 H new ATOM 0 HG23 THR A 403 -7.146 -8.317 -14.004 1.00 1.95 H new ATOM 667 N GLU A 404 -8.366 -11.539 -13.175 1.00 2.08 N ATOM 668 CA GLU A 404 -8.916 -12.859 -13.486 1.00 2.34 C ATOM 669 C GLU A 404 -8.359 -13.900 -12.526 1.00 2.30 C ATOM 670 O GLU A 404 -9.099 -14.716 -11.976 1.00 2.37 O ATOM 671 CB GLU A 404 -8.597 -13.247 -14.930 1.00 2.72 C ATOM 672 CG GLU A 404 -9.140 -12.269 -15.963 1.00 2.91 C ATOM 673 CD GLU A 404 -10.655 -12.178 -15.952 1.00 3.42 C ATOM 674 OE1 GLU A 404 -11.220 -11.761 -14.918 1.00 3.87 O ATOM 675 OE2 GLU A 404 -11.277 -12.521 -16.978 1.00 3.79 O ATOM 0 H GLU A 404 -8.134 -10.974 -13.991 1.00 2.08 H new ATOM 0 HA GLU A 404 -9.999 -12.818 -13.371 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -7.516 -13.321 -15.046 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -9.007 -14.237 -15.130 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -8.720 -11.281 -15.776 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -8.807 -12.574 -16.955 1.00 2.91 H new ATOM 682 N ASN A 405 -7.055 -13.835 -12.301 1.00 2.26 N ATOM 683 CA ASN A 405 -6.397 -14.739 -11.374 1.00 2.30 C ATOM 684 C ASN A 405 -6.309 -14.080 -10.003 1.00 2.07 C ATOM 685 O ASN A 405 -5.869 -12.941 -9.888 1.00 2.40 O ATOM 686 CB ASN A 405 -4.997 -15.098 -11.876 1.00 2.43 C ATOM 687 CG ASN A 405 -4.282 -16.062 -10.949 1.00 2.67 C ATOM 688 OD1 ASN A 405 -4.752 -17.173 -10.707 1.00 3.16 O ATOM 689 ND2 ASN A 405 -3.137 -15.640 -10.426 1.00 2.73 N ATOM 0 H ASN A 405 -6.432 -13.164 -12.750 1.00 2.26 H new ATOM 0 HA ASN A 405 -6.979 -15.658 -11.299 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -5.072 -15.541 -12.869 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -4.405 -14.188 -11.977 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -2.610 -16.245 -9.796 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -2.784 -14.711 -10.654 1.00 2.73 H new ATOM 696 N ALA A 406 -6.740 -14.786 -8.969 1.00 1.82 N ATOM 697 CA ALA A 406 -6.702 -14.237 -7.619 1.00 1.67 C ATOM 698 C ALA A 406 -5.723 -15.000 -6.733 1.00 1.85 C ATOM 699 O ALA A 406 -6.092 -15.529 -5.684 1.00 2.18 O ATOM 700 CB ALA A 406 -8.091 -14.221 -7.008 1.00 1.72 C ATOM 0 H ALA A 406 -7.117 -15.731 -9.035 1.00 1.82 H new ATOM 0 HA ALA A 406 -6.347 -13.209 -7.687 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -8.041 -13.808 -6.001 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -8.751 -13.606 -7.620 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -8.481 -15.238 -6.964 1.00 1.72 H new ATOM 706 N ALA A 407 -4.469 -15.044 -7.168 1.00 1.91 N ATOM 707 CA ALA A 407 -3.414 -15.727 -6.429 1.00 2.19 C ATOM 708 C ALA A 407 -2.137 -14.898 -6.457 1.00 2.37 C ATOM 709 O ALA A 407 -1.062 -15.368 -6.085 1.00 2.77 O ATOM 710 CB ALA A 407 -3.166 -17.105 -7.021 1.00 2.38 C ATOM 0 H ALA A 407 -4.156 -14.610 -8.037 1.00 1.91 H new ATOM 0 HA ALA A 407 -3.729 -15.848 -5.393 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -2.376 -17.605 -6.461 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -4.081 -17.695 -6.964 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -2.863 -17.004 -8.063 1.00 2.38 H new ATOM 716 N ALA A 408 -2.280 -13.660 -6.913 1.00 2.15 N ATOM 717 CA ALA A 408 -1.164 -12.728 -7.017 1.00 2.35 C ATOM 718 C ALA A 408 -1.651 -11.333 -7.428 1.00 2.05 C ATOM 719 O ALA A 408 -1.223 -10.335 -6.849 1.00 1.99 O ATOM 720 CB ALA A 408 -0.126 -13.244 -8.005 1.00 2.76 C ATOM 0 H ALA A 408 -3.172 -13.274 -7.221 1.00 2.15 H new ATOM 0 HA ALA A 408 -0.697 -12.648 -6.035 1.00 2.35 H new ATOM 0 HB1 ALA A 408 0.699 -12.535 -8.069 1.00 2.76 H new ATOM 0 HB2 ALA A 408 0.250 -14.209 -7.666 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -0.584 -13.358 -8.988 1.00 2.76 H new ATOM 726 N PRO A 409 -2.538 -11.241 -8.450 1.00 1.99 N ATOM 727 CA PRO A 409 -3.069 -9.960 -8.942 1.00 1.80 C ATOM 728 C PRO A 409 -3.998 -9.256 -7.956 1.00 1.41 C ATOM 729 O PRO A 409 -4.986 -8.643 -8.357 1.00 1.86 O ATOM 730 CB PRO A 409 -3.835 -10.343 -10.216 1.00 2.10 C ATOM 731 CG PRO A 409 -3.373 -11.720 -10.550 1.00 2.49 C ATOM 732 CD PRO A 409 -3.074 -12.365 -9.232 1.00 2.27 C ATOM 0 HA PRO A 409 -2.261 -9.247 -9.105 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -4.912 -10.318 -10.050 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -3.621 -9.648 -11.028 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -4.140 -12.272 -11.093 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -2.488 -11.695 -11.186 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -3.968 -12.790 -8.775 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -2.351 -13.174 -9.330 1.00 2.27 H new ATOM 740 N ASP A 410 -3.662 -9.317 -6.674 1.00 0.92 N ATOM 741 CA ASP A 410 -4.455 -8.655 -5.652 1.00 0.79 C ATOM 742 C ASP A 410 -4.082 -7.177 -5.599 1.00 0.68 C ATOM 743 O ASP A 410 -2.900 -6.831 -5.568 1.00 0.93 O ATOM 744 CB ASP A 410 -4.219 -9.309 -4.289 1.00 1.18 C ATOM 745 CG ASP A 410 -4.414 -10.811 -4.323 1.00 1.62 C ATOM 746 OD1 ASP A 410 -3.697 -11.487 -5.089 1.00 1.99 O ATOM 747 OD2 ASP A 410 -5.284 -11.313 -3.579 1.00 2.14 O ATOM 0 H ASP A 410 -2.847 -9.818 -6.320 1.00 0.92 H new ATOM 0 HA ASP A 410 -5.512 -8.751 -5.901 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -3.207 -9.085 -3.953 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -4.901 -8.874 -3.558 1.00 1.18 H new ATOM 752 N GLU A 411 -5.084 -6.306 -5.599 1.00 0.54 N ATOM 753 CA GLU A 411 -4.835 -4.869 -5.564 1.00 0.45 C ATOM 754 C GLU A 411 -5.777 -4.169 -4.595 1.00 0.40 C ATOM 755 O GLU A 411 -6.972 -4.436 -4.581 1.00 0.42 O ATOM 756 CB GLU A 411 -4.991 -4.268 -6.962 1.00 0.49 C ATOM 757 CG GLU A 411 -4.015 -4.834 -7.981 1.00 0.58 C ATOM 758 CD GLU A 411 -4.174 -4.205 -9.351 1.00 1.47 C ATOM 759 OE1 GLU A 411 -4.004 -2.973 -9.463 1.00 2.08 O ATOM 760 OE2 GLU A 411 -4.469 -4.946 -10.313 1.00 2.10 O ATOM 0 H GLU A 411 -6.070 -6.566 -5.623 1.00 0.54 H new ATOM 0 HA GLU A 411 -3.812 -4.717 -5.219 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.009 -4.441 -7.311 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.854 -3.188 -6.901 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -2.996 -4.676 -7.629 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -4.162 -5.911 -8.060 1.00 0.58 H new ATOM 767 N TYR A 412 -5.231 -3.270 -3.783 1.00 0.38 N ATOM 768 CA TYR A 412 -6.035 -2.541 -2.811 1.00 0.35 C ATOM 769 C TYR A 412 -5.983 -1.039 -3.071 1.00 0.33 C ATOM 770 O TYR A 412 -4.904 -0.452 -3.162 1.00 0.34 O ATOM 771 CB TYR A 412 -5.555 -2.827 -1.384 1.00 0.39 C ATOM 772 CG TYR A 412 -5.691 -4.274 -0.954 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.101 -5.294 -1.692 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.416 -4.622 0.178 1.00 0.53 C ATOM 775 CE1 TYR A 412 -5.232 -6.617 -1.313 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.549 -5.940 0.566 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.925 -6.927 -0.146 1.00 0.62 C ATOM 778 OH TYR A 412 -6.088 -8.250 0.198 1.00 0.72 O ATOM 0 H TYR A 412 -4.240 -3.030 -3.779 1.00 0.38 H new ATOM 0 HA TYR A 412 -7.065 -2.882 -2.918 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.509 -2.533 -1.300 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -6.118 -2.201 -0.692 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.531 -5.049 -2.576 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.885 -3.847 0.766 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.801 -7.402 -1.916 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -7.145 -6.192 1.431 1.00 0.61 H new ATOM 0 HH TYR A 412 -6.591 -8.310 1.037 1.00 0.72 H new ATOM 788 N TYR A 413 -7.157 -0.420 -3.170 1.00 0.33 N ATOM 789 CA TYR A 413 -7.246 1.018 -3.395 1.00 0.32 C ATOM 790 C TYR A 413 -6.517 1.752 -2.280 1.00 0.32 C ATOM 791 O TYR A 413 -6.540 1.315 -1.129 1.00 0.40 O ATOM 792 CB TYR A 413 -8.710 1.460 -3.439 1.00 0.36 C ATOM 793 CG TYR A 413 -8.903 2.922 -3.786 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.176 3.513 -4.811 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.810 3.711 -3.088 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.345 4.847 -5.131 1.00 0.44 C ATOM 797 CE2 TYR A 413 -9.986 5.045 -3.402 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.266 5.607 -4.424 1.00 0.46 C ATOM 799 OH TYR A 413 -9.424 6.936 -4.741 1.00 0.51 O ATOM 0 H TYR A 413 -8.058 -0.892 -3.098 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.782 1.257 -4.352 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.241 0.851 -4.170 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.167 1.264 -2.469 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.466 2.920 -5.368 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.387 3.274 -2.287 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.765 5.294 -5.925 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.690 5.644 -2.843 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.105 7.332 -4.159 1.00 0.51 H new ATOM 809 N VAL A 414 -5.856 2.852 -2.612 1.00 0.33 N ATOM 810 CA VAL A 414 -5.118 3.599 -1.604 1.00 0.33 C ATOM 811 C VAL A 414 -5.178 5.108 -1.828 1.00 0.29 C ATOM 812 O VAL A 414 -4.578 5.641 -2.763 1.00 0.38 O ATOM 813 CB VAL A 414 -3.644 3.145 -1.550 1.00 0.39 C ATOM 814 CG1 VAL A 414 -2.996 3.240 -2.924 1.00 1.09 C ATOM 815 CG2 VAL A 414 -2.869 3.961 -0.530 1.00 1.15 C ATOM 0 H VAL A 414 -5.815 3.242 -3.554 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.602 3.385 -0.651 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.622 2.101 -1.239 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -1.958 2.915 -2.860 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.534 2.601 -3.625 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.032 4.272 -3.273 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -1.832 3.625 -0.507 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -2.903 5.015 -0.805 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.315 3.829 0.456 1.00 1.15 H new ATOM 825 N HIS A 415 -5.885 5.791 -0.934 1.00 0.33 N ATOM 826 CA HIS A 415 -6.003 7.241 -0.993 1.00 0.32 C ATOM 827 C HIS A 415 -4.884 7.869 -0.176 1.00 0.32 C ATOM 828 O HIS A 415 -4.991 7.983 1.045 1.00 0.34 O ATOM 829 CB HIS A 415 -7.361 7.696 -0.452 1.00 0.37 C ATOM 830 CG HIS A 415 -7.551 9.178 -0.504 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.427 9.909 -1.665 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.851 10.067 0.469 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.638 11.186 -1.404 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.900 11.310 -0.116 1.00 0.62 N ATOM 0 H HIS A 415 -6.386 5.360 -0.157 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.924 7.560 -2.032 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -8.153 7.215 -1.026 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.465 7.359 0.579 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -7.207 9.524 -2.583 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -8.021 9.843 1.512 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.602 11.992 -2.122 1.00 0.60 H new ATOM 843 N TYR A 416 -3.803 8.254 -0.844 1.00 0.37 N ATOM 844 CA TYR A 416 -2.664 8.845 -0.156 1.00 0.40 C ATOM 845 C TYR A 416 -3.102 10.002 0.735 1.00 0.45 C ATOM 846 O TYR A 416 -3.774 10.931 0.290 1.00 0.57 O ATOM 847 CB TYR A 416 -1.601 9.298 -1.156 1.00 0.46 C ATOM 848 CG TYR A 416 -1.031 8.160 -1.975 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.744 7.613 -3.035 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.222 7.634 -1.688 1.00 0.51 C ATOM 851 CE1 TYR A 416 -1.225 6.574 -3.785 1.00 0.59 C ATOM 852 CE2 TYR A 416 0.749 6.596 -2.433 1.00 0.54 C ATOM 853 CZ TYR A 416 0.022 6.070 -3.481 1.00 0.57 C ATOM 854 OH TYR A 416 0.543 5.036 -4.225 1.00 0.65 O ATOM 0 H TYR A 416 -3.692 8.168 -1.854 1.00 0.37 H new ATOM 0 HA TYR A 416 -2.223 8.080 0.483 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -2.035 10.039 -1.828 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.791 9.791 -0.618 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.720 8.006 -3.277 1.00 0.53 H new ATOM 0 HD2 TYR A 416 0.794 8.043 -0.869 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.793 6.159 -4.605 1.00 0.59 H new ATOM 0 HE2 TYR A 416 1.725 6.199 -2.196 1.00 0.54 H new ATOM 0 HH TYR A 416 1.430 4.800 -3.881 1.00 0.65 H new ATOM 864 N VAL A 417 -2.723 9.914 2.006 1.00 0.45 N ATOM 865 CA VAL A 417 -3.075 10.924 3.000 1.00 0.55 C ATOM 866 C VAL A 417 -2.168 12.142 2.889 1.00 0.66 C ATOM 867 O VAL A 417 -1.828 12.777 3.887 1.00 1.34 O ATOM 868 CB VAL A 417 -2.968 10.333 4.415 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.780 11.143 5.413 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.412 8.885 4.391 1.00 1.01 C ATOM 0 H VAL A 417 -2.165 9.144 2.376 1.00 0.45 H new ATOM 0 HA VAL A 417 -4.102 11.237 2.811 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.928 10.378 4.739 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -3.684 10.700 6.404 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -3.410 12.168 5.436 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.828 11.142 5.115 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.337 8.465 5.394 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.446 8.827 4.050 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -2.774 8.320 3.712 1.00 1.01 H new ATOM 880 N GLY A 418 -1.781 12.456 1.663 1.00 0.71 N ATOM 881 CA GLY A 418 -0.915 13.596 1.426 1.00 0.82 C ATOM 882 C GLY A 418 -0.597 13.793 -0.043 1.00 0.72 C ATOM 883 O GLY A 418 -0.661 14.911 -0.554 1.00 0.76 O ATOM 0 H GLY A 418 -2.051 11.942 0.824 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -1.392 14.496 1.814 1.00 0.82 H new ATOM 0 HA3 GLY A 418 0.014 13.463 1.980 1.00 0.82 H new ATOM 887 N LEU A 419 -0.251 12.704 -0.723 1.00 0.66 N ATOM 888 CA LEU A 419 0.080 12.763 -2.142 1.00 0.60 C ATOM 889 C LEU A 419 -1.120 13.194 -2.977 1.00 0.59 C ATOM 890 O LEU A 419 -2.270 13.025 -2.573 1.00 0.76 O ATOM 891 CB LEU A 419 0.605 11.414 -2.639 1.00 0.58 C ATOM 892 CG LEU A 419 1.990 11.016 -2.123 1.00 0.78 C ATOM 893 CD1 LEU A 419 1.945 10.695 -0.637 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.531 9.836 -2.913 1.00 1.40 C ATOM 0 H LEU A 419 -0.193 11.771 -0.314 1.00 0.66 H new ATOM 0 HA LEU A 419 0.865 13.510 -2.259 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.107 10.639 -2.353 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.634 11.434 -3.728 1.00 0.58 H new ATOM 0 HG LEU A 419 2.663 11.862 -2.263 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.941 10.415 -0.295 1.00 1.60 H new ATOM 0 HD12 LEU A 419 1.605 11.572 -0.086 1.00 1.60 H new ATOM 0 HD13 LEU A 419 1.256 9.868 -0.464 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.516 9.565 -2.534 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.856 8.987 -2.807 1.00 1.40 H new ATOM 0 HD23 LEU A 419 2.609 10.108 -3.966 1.00 1.40 H new ATOM 906 N ASN A 420 -0.830 13.757 -4.146 1.00 0.61 N ATOM 907 CA ASN A 420 -1.840 14.228 -5.063 1.00 0.63 C ATOM 908 C ASN A 420 -2.903 13.165 -5.326 1.00 0.56 C ATOM 909 O ASN A 420 -2.595 11.978 -5.424 1.00 0.56 O ATOM 910 CB ASN A 420 -1.160 14.610 -6.372 1.00 0.75 C ATOM 911 CG ASN A 420 0.140 15.369 -6.167 1.00 1.57 C ATOM 912 OD1 ASN A 420 1.095 14.851 -5.589 1.00 2.53 O ATOM 913 ND2 ASN A 420 0.185 16.602 -6.647 1.00 1.98 N ATOM 0 H ASN A 420 0.124 13.896 -4.478 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.341 15.089 -4.621 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -0.960 13.707 -6.948 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -1.841 15.221 -6.964 1.00 0.75 H new ATOM 0 HD21 ASN A 420 1.033 17.159 -6.544 1.00 1.98 H new ATOM 0 HD22 ASN A 420 -0.629 16.995 -7.120 1.00 1.98 H new ATOM 920 N ARG A 421 -4.154 13.603 -5.447 1.00 0.62 N ATOM 921 CA ARG A 421 -5.261 12.692 -5.707 1.00 0.67 C ATOM 922 C ARG A 421 -5.033 11.917 -7.001 1.00 0.66 C ATOM 923 O ARG A 421 -5.482 10.780 -7.142 1.00 0.69 O ATOM 924 CB ARG A 421 -6.592 13.456 -5.747 1.00 0.87 C ATOM 925 CG ARG A 421 -6.591 14.688 -6.643 1.00 1.09 C ATOM 926 CD ARG A 421 -6.711 14.326 -8.116 1.00 1.51 C ATOM 927 NE ARG A 421 -6.768 15.509 -8.969 1.00 2.25 N ATOM 928 CZ ARG A 421 -6.898 15.459 -10.291 1.00 3.00 C ATOM 929 NH1 ARG A 421 -6.984 14.288 -10.907 1.00 3.28 N ATOM 930 NH2 ARG A 421 -6.945 16.580 -10.998 1.00 3.98 N ATOM 0 H ARG A 421 -4.424 14.583 -5.369 1.00 0.62 H new ATOM 0 HA ARG A 421 -5.311 11.971 -4.891 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -7.375 12.778 -6.086 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.851 13.761 -4.733 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -7.418 15.340 -6.362 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -5.672 15.251 -6.483 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -5.861 13.710 -8.408 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -7.608 13.725 -8.269 1.00 1.51 H new ATOM 0 HE ARG A 421 -6.705 16.426 -8.526 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -6.950 13.424 -10.366 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -7.084 14.252 -11.921 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -6.881 17.483 -10.527 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -7.045 16.539 -12.012 1.00 3.98 H new ATOM 944 N ARG A 422 -4.325 12.537 -7.941 1.00 0.71 N ATOM 945 CA ARG A 422 -4.026 11.899 -9.219 1.00 0.83 C ATOM 946 C ARG A 422 -3.148 10.670 -9.005 1.00 0.72 C ATOM 947 O ARG A 422 -3.308 9.652 -9.680 1.00 0.77 O ATOM 948 CB ARG A 422 -3.337 12.888 -10.161 1.00 1.01 C ATOM 949 CG ARG A 422 -2.078 13.509 -9.579 1.00 1.19 C ATOM 950 CD ARG A 422 -1.444 14.494 -10.549 1.00 1.49 C ATOM 951 NE ARG A 422 -0.249 15.123 -9.988 1.00 2.09 N ATOM 952 CZ ARG A 422 0.474 16.035 -10.632 1.00 2.79 C ATOM 953 NH1 ARG A 422 0.126 16.425 -11.850 1.00 3.07 N ATOM 954 NH2 ARG A 422 1.546 16.559 -10.054 1.00 3.71 N ATOM 0 H ARG A 422 -3.948 13.480 -7.842 1.00 0.71 H new ATOM 0 HA ARG A 422 -4.963 11.582 -9.676 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -3.083 12.376 -11.089 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -4.039 13.682 -10.417 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -2.320 14.019 -8.647 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -1.362 12.724 -9.336 1.00 1.19 H new ATOM 0 HD2 ARG A 422 -1.182 13.976 -11.472 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -2.170 15.264 -10.810 1.00 1.49 H new ATOM 0 HE ARG A 422 0.046 14.847 -9.051 1.00 2.09 H new ATOM 0 HH11 ARG A 422 -0.699 16.026 -12.297 1.00 3.07 H new ATOM 0 HH12 ARG A 422 0.683 17.125 -12.340 1.00 3.07 H new ATOM 0 HH21 ARG A 422 1.816 16.263 -9.116 1.00 3.71 H new ATOM 0 HH22 ARG A 422 2.101 17.258 -10.547 1.00 3.71 H new ATOM 968 N LEU A 423 -2.228 10.773 -8.050 1.00 0.65 N ATOM 969 CA LEU A 423 -1.329 9.689 -7.715 1.00 0.62 C ATOM 970 C LEU A 423 -2.107 8.476 -7.218 1.00 0.52 C ATOM 971 O LEU A 423 -1.707 7.332 -7.441 1.00 0.53 O ATOM 972 CB LEU A 423 -0.359 10.171 -6.642 1.00 0.69 C ATOM 973 CG LEU A 423 1.003 10.655 -7.145 1.00 0.89 C ATOM 974 CD1 LEU A 423 0.838 11.775 -8.159 1.00 1.31 C ATOM 975 CD2 LEU A 423 1.861 11.123 -5.981 1.00 1.49 C ATOM 0 H LEU A 423 -2.090 11.614 -7.490 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.777 9.389 -8.605 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.831 10.984 -6.090 1.00 0.69 H new ATOM 0 HB3 LEU A 423 -0.196 9.358 -5.934 1.00 0.69 H new ATOM 0 HG LEU A 423 1.501 9.819 -7.635 1.00 0.89 H new ATOM 0 HD11 LEU A 423 1.819 12.103 -8.502 1.00 1.31 H new ATOM 0 HD12 LEU A 423 0.258 11.414 -9.009 1.00 1.31 H new ATOM 0 HD13 LEU A 423 0.318 12.613 -7.694 1.00 1.31 H new ATOM 0 HD21 LEU A 423 2.826 11.464 -6.355 1.00 1.49 H new ATOM 0 HD22 LEU A 423 1.360 11.943 -5.467 1.00 1.49 H new ATOM 0 HD23 LEU A 423 2.012 10.297 -5.286 1.00 1.49 H new ATOM 987 N ASP A 424 -3.217 8.743 -6.537 1.00 0.49 N ATOM 988 CA ASP A 424 -4.067 7.691 -5.991 1.00 0.50 C ATOM 989 C ASP A 424 -4.407 6.650 -7.055 1.00 0.45 C ATOM 990 O ASP A 424 -4.697 6.992 -8.202 1.00 0.49 O ATOM 991 CB ASP A 424 -5.355 8.300 -5.434 1.00 0.66 C ATOM 992 CG ASP A 424 -5.087 9.406 -4.431 1.00 0.81 C ATOM 993 OD1 ASP A 424 -3.906 9.625 -4.093 1.00 0.97 O ATOM 994 OD2 ASP A 424 -6.057 10.052 -3.984 1.00 1.20 O ATOM 0 H ASP A 424 -3.551 9.688 -6.349 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.520 7.195 -5.189 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.951 8.696 -6.256 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -5.947 7.518 -4.958 1.00 0.66 H new ATOM 999 N GLY A 425 -4.370 5.380 -6.664 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.676 4.307 -7.592 1.00 0.50 C ATOM 1001 C GLY A 425 -4.791 2.961 -6.905 1.00 0.45 C ATOM 1002 O GLY A 425 -5.326 2.867 -5.798 1.00 0.70 O ATOM 0 H GLY A 425 -4.133 5.075 -5.720 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.611 4.530 -8.105 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -3.898 4.257 -8.354 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.289 1.916 -7.558 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.345 0.571 -6.998 1.00 0.44 C ATOM 1008 C TRP A 426 -2.945 -0.024 -6.871 1.00 0.45 C ATOM 1009 O TRP A 426 -2.144 0.040 -7.805 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.234 -0.337 -7.854 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.630 0.173 -8.018 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.023 1.340 -8.601 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.817 -0.474 -7.575 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.392 1.456 -8.548 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.903 0.348 -7.919 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -8.057 -1.675 -6.919 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.220 0.002 -7.625 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.362 -2.023 -6.624 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.430 -1.186 -6.978 1.00 0.59 C ATOM 0 H TRP A 426 -3.841 1.975 -8.472 1.00 0.50 H new ATOM 0 HA TRP A 426 -4.780 0.640 -6.001 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.780 -0.452 -8.838 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.269 -1.328 -7.401 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.357 2.068 -9.040 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -8.937 2.236 -8.915 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.239 -2.325 -6.645 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -11.043 0.646 -7.897 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.562 -2.953 -6.113 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.439 -1.485 -6.735 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.659 -0.594 -5.705 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.356 -1.197 -5.435 1.00 0.46 C ATOM 1032 C VAL A 427 -1.449 -2.715 -5.327 1.00 0.51 C ATOM 1033 O VAL A 427 -2.507 -3.259 -5.022 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.745 -0.644 -4.140 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.385 0.824 -4.298 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.701 -0.844 -2.977 1.00 0.85 C ATOM 0 H VAL A 427 -3.316 -0.652 -4.927 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.715 -0.940 -6.278 1.00 0.46 H new ATOM 0 HB VAL A 427 0.172 -1.194 -3.929 1.00 0.64 H new ATOM 0 HG11 VAL A 427 0.046 1.195 -3.368 1.00 0.89 H new ATOM 0 HG12 VAL A 427 0.340 0.936 -5.104 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.283 1.395 -4.535 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -1.254 -0.447 -2.066 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.636 -0.321 -3.180 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.901 -1.908 -2.849 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.331 -3.394 -5.584 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.304 -4.848 -5.521 1.00 0.65 C ATOM 1048 C GLY A 428 -0.393 -5.407 -4.107 1.00 0.79 C ATOM 1049 O GLY A 428 -0.016 -6.556 -3.874 1.00 1.72 O ATOM 0 H GLY A 428 0.558 -2.962 -5.835 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.132 -5.243 -6.110 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.616 -5.205 -5.985 1.00 0.65 H new ATOM 1053 N ARG A 429 -0.912 -4.604 -3.174 1.00 0.54 N ATOM 1054 CA ARG A 429 -1.081 -5.017 -1.774 1.00 0.54 C ATOM 1055 C ARG A 429 0.243 -5.146 -1.022 1.00 0.49 C ATOM 1056 O ARG A 429 0.364 -4.651 0.099 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.864 -6.325 -1.697 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.893 -6.955 -0.310 1.00 0.83 C ATOM 1059 CD ARG A 429 -2.502 -6.019 0.725 1.00 0.85 C ATOM 1060 NE ARG A 429 -2.561 -6.631 2.051 1.00 1.20 N ATOM 1061 CZ ARG A 429 -1.490 -6.914 2.789 1.00 1.26 C ATOM 1062 NH1 ARG A 429 -0.277 -6.575 2.371 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -1.635 -7.519 3.960 1.00 1.65 N ATOM 0 H ARG A 429 -1.226 -3.653 -3.365 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.644 -4.224 -1.281 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.888 -6.142 -2.022 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -1.429 -7.037 -2.398 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -2.466 -7.881 -0.344 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.879 -7.218 -0.009 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.914 -5.102 0.775 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -3.507 -5.737 0.411 1.00 0.85 H new ATOM 0 HE ARG A 429 -3.479 -6.855 2.434 1.00 1.20 H new ATOM 0 HH11 ARG A 429 -0.161 -6.094 1.479 1.00 1.73 H new ATOM 0 HH12 ARG A 429 0.539 -6.795 2.942 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -2.566 -7.767 4.294 1.00 1.65 H new ATOM 0 HH22 ARG A 429 -0.815 -7.737 4.527 1.00 1.65 H new ATOM 1077 N HIS A 430 1.238 -5.794 -1.625 1.00 0.49 N ATOM 1078 CA HIS A 430 2.534 -5.944 -0.973 1.00 0.53 C ATOM 1079 C HIS A 430 3.117 -4.570 -0.691 1.00 0.47 C ATOM 1080 O HIS A 430 4.061 -4.415 0.084 1.00 0.49 O ATOM 1081 CB HIS A 430 3.492 -6.766 -1.837 1.00 0.65 C ATOM 1082 CG HIS A 430 3.813 -6.146 -3.162 1.00 0.77 C ATOM 1083 ND1 HIS A 430 4.500 -4.958 -3.293 1.00 1.20 N ATOM 1084 CD2 HIS A 430 3.551 -6.568 -4.423 1.00 1.47 C ATOM 1085 CE1 HIS A 430 4.647 -4.676 -4.575 1.00 1.31 C ATOM 1086 NE2 HIS A 430 4.080 -5.636 -5.281 1.00 1.46 N ATOM 0 H HIS A 430 1.173 -6.217 -2.551 1.00 0.49 H new ATOM 0 HA HIS A 430 2.396 -6.479 -0.033 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.420 -6.918 -1.286 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.056 -7.751 -2.006 1.00 0.65 H new ATOM 0 HD2 HIS A 430 3.024 -7.469 -4.701 1.00 1.47 H new ATOM 0 HE1 HIS A 430 5.147 -3.807 -4.977 1.00 1.31 H new ATOM 0 HE2 HIS A 430 4.041 -5.679 -6.299 1.00 1.46 H new ATOM 1095 N ARG A 431 2.525 -3.577 -1.338 1.00 0.43 N ATOM 1096 CA ARG A 431 2.934 -2.193 -1.197 1.00 0.41 C ATOM 1097 C ARG A 431 2.386 -1.583 0.092 1.00 0.37 C ATOM 1098 O ARG A 431 3.042 -0.753 0.720 1.00 0.57 O ATOM 1099 CB ARG A 431 2.441 -1.403 -2.405 1.00 0.44 C ATOM 1100 CG ARG A 431 3.133 -1.785 -3.704 1.00 0.53 C ATOM 1101 CD ARG A 431 2.739 -0.858 -4.844 1.00 0.64 C ATOM 1102 NE ARG A 431 3.460 -1.164 -6.079 1.00 1.39 N ATOM 1103 CZ ARG A 431 3.349 -2.314 -6.741 1.00 2.05 C ATOM 1104 NH1 ARG A 431 2.540 -3.268 -6.299 1.00 2.55 N ATOM 1105 NH2 ARG A 431 4.049 -2.508 -7.850 1.00 2.84 N ATOM 0 H ARG A 431 1.743 -3.713 -1.979 1.00 0.43 H new ATOM 0 HA ARG A 431 4.022 -2.151 -1.146 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.368 -1.556 -2.516 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.594 -0.340 -2.220 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.214 -1.752 -3.564 1.00 0.53 H new ATOM 0 HG3 ARG A 431 2.877 -2.812 -3.965 1.00 0.53 H new ATOM 0 HD2 ARG A 431 1.667 -0.939 -5.022 1.00 0.64 H new ATOM 0 HD3 ARG A 431 2.937 0.174 -4.556 1.00 0.64 H new ATOM 0 HE ARG A 431 4.086 -0.453 -6.456 1.00 1.39 H new ATOM 0 HH11 ARG A 431 1.998 -3.123 -5.447 1.00 2.55 H new ATOM 0 HH12 ARG A 431 2.460 -4.146 -6.811 1.00 2.55 H new ATOM 0 HH21 ARG A 431 4.671 -1.777 -8.195 1.00 2.84 H new ATOM 0 HH22 ARG A 431 3.965 -3.388 -8.358 1.00 2.84 H new ATOM 1119 N ILE A 432 1.181 -1.993 0.482 1.00 0.39 N ATOM 1120 CA ILE A 432 0.557 -1.476 1.696 1.00 0.36 C ATOM 1121 C ILE A 432 0.972 -2.296 2.911 1.00 0.38 C ATOM 1122 O ILE A 432 1.023 -3.524 2.856 1.00 0.44 O ATOM 1123 CB ILE A 432 -0.985 -1.476 1.600 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.446 -0.692 0.370 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.591 -0.885 2.864 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.941 -0.762 0.132 1.00 0.46 C ATOM 0 H ILE A 432 0.620 -2.679 -0.023 1.00 0.39 H new ATOM 0 HA ILE A 432 0.901 -0.448 1.807 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.326 -2.506 1.498 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -1.153 0.352 0.484 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.928 -1.074 -0.510 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.678 -0.891 2.783 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.288 -1.480 3.725 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.242 0.140 2.990 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.196 -0.184 -0.756 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.238 -1.801 -0.014 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.466 -0.352 0.995 1.00 0.46 H new ATOM 1138 N SER A 433 1.270 -1.604 4.006 1.00 0.34 N ATOM 1139 CA SER A 433 1.685 -2.261 5.240 1.00 0.38 C ATOM 1140 C SER A 433 1.483 -1.338 6.437 1.00 0.36 C ATOM 1141 O SER A 433 1.766 -0.142 6.367 1.00 0.34 O ATOM 1142 CB SER A 433 3.155 -2.679 5.149 1.00 0.41 C ATOM 1143 OG SER A 433 3.351 -3.648 4.133 1.00 0.53 O ATOM 0 H SER A 433 1.232 -0.586 4.064 1.00 0.34 H new ATOM 0 HA SER A 433 1.069 -3.149 5.377 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.772 -1.804 4.945 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.481 -3.082 6.108 1.00 0.41 H new ATOM 0 HG SER A 433 2.482 -3.986 3.831 1.00 0.53 H new ATOM 1149 N ASP A 434 0.996 -1.905 7.536 1.00 0.43 N ATOM 1150 CA ASP A 434 0.759 -1.140 8.753 1.00 0.48 C ATOM 1151 C ASP A 434 2.073 -0.811 9.450 1.00 0.48 C ATOM 1152 O ASP A 434 2.137 0.090 10.286 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.158 -1.914 9.702 1.00 0.60 C ATOM 1154 CG ASP A 434 0.454 -3.223 10.157 1.00 0.83 C ATOM 1155 OD1 ASP A 434 0.736 -4.079 9.292 1.00 1.12 O ATOM 1156 OD2 ASP A 434 0.653 -3.393 11.379 1.00 1.35 O ATOM 0 H ASP A 434 0.758 -2.894 7.608 1.00 0.43 H new ATOM 0 HA ASP A 434 0.271 -0.206 8.475 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.379 -1.297 10.573 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.107 -2.113 9.204 1.00 0.60 H new ATOM 1161 N ASN A 435 3.121 -1.556 9.106 1.00 0.43 N ATOM 1162 CA ASN A 435 4.434 -1.351 9.704 1.00 0.47 C ATOM 1163 C ASN A 435 5.402 -0.730 8.700 1.00 0.39 C ATOM 1164 O ASN A 435 5.495 -1.174 7.554 1.00 0.38 O ATOM 1165 CB ASN A 435 4.997 -2.678 10.216 1.00 0.59 C ATOM 1166 CG ASN A 435 4.086 -3.339 11.233 1.00 1.26 C ATOM 1167 OD1 ASN A 435 3.807 -2.777 12.292 1.00 2.16 O ATOM 1168 ND2 ASN A 435 3.617 -4.539 10.913 1.00 1.81 N ATOM 0 H ASN A 435 3.085 -2.306 8.416 1.00 0.43 H new ATOM 0 HA ASN A 435 4.318 -0.664 10.542 1.00 0.47 H new ATOM 0 HB2 ASN A 435 5.149 -3.354 9.375 1.00 0.59 H new ATOM 0 HB3 ASN A 435 5.975 -2.505 10.666 1.00 0.59 H new ATOM 0 HD21 ASN A 435 2.999 -5.033 11.556 1.00 1.81 H new ATOM 0 HD22 ASN A 435 3.875 -4.967 10.024 1.00 1.81 H new ATOM 1175 N ALA A 436 6.115 0.301 9.140 1.00 0.49 N ATOM 1176 CA ALA A 436 7.076 0.995 8.290 1.00 0.55 C ATOM 1177 C ALA A 436 8.253 0.094 7.924 1.00 0.55 C ATOM 1178 O ALA A 436 8.750 0.138 6.798 1.00 0.54 O ATOM 1179 CB ALA A 436 7.572 2.255 8.983 1.00 0.75 C ATOM 0 H ALA A 436 6.045 0.676 10.086 1.00 0.49 H new ATOM 0 HA ALA A 436 6.569 1.270 7.365 1.00 0.55 H new ATOM 0 HB1 ALA A 436 8.289 2.766 8.340 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.729 2.916 9.183 1.00 0.75 H new ATOM 0 HB3 ALA A 436 8.054 1.987 9.923 1.00 0.75 H new ATOM 1185 N ASP A 437 8.699 -0.713 8.884 1.00 0.65 N ATOM 1186 CA ASP A 437 9.827 -1.619 8.667 1.00 0.75 C ATOM 1187 C ASP A 437 9.621 -2.469 7.418 1.00 0.71 C ATOM 1188 O ASP A 437 10.556 -2.690 6.648 1.00 0.78 O ATOM 1189 CB ASP A 437 10.022 -2.523 9.885 1.00 0.92 C ATOM 1190 CG ASP A 437 10.326 -1.738 11.146 1.00 1.02 C ATOM 1191 OD1 ASP A 437 11.342 -1.012 11.163 1.00 1.34 O ATOM 1192 OD2 ASP A 437 9.549 -1.852 12.118 1.00 1.34 O ATOM 0 H ASP A 437 8.297 -0.759 9.820 1.00 0.65 H new ATOM 0 HA ASP A 437 10.721 -1.012 8.523 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.122 -3.119 10.039 1.00 0.92 H new ATOM 0 HB3 ASP A 437 10.836 -3.220 9.689 1.00 0.92 H new ATOM 1197 N ASP A 438 8.393 -2.938 7.218 1.00 0.68 N ATOM 1198 CA ASP A 438 8.069 -3.757 6.056 1.00 0.73 C ATOM 1199 C ASP A 438 7.819 -2.879 4.832 1.00 0.73 C ATOM 1200 O ASP A 438 6.895 -3.130 4.056 1.00 1.35 O ATOM 1201 CB ASP A 438 6.838 -4.619 6.341 1.00 0.88 C ATOM 1202 CG ASP A 438 7.044 -5.550 7.520 1.00 1.08 C ATOM 1203 OD1 ASP A 438 7.970 -6.386 7.462 1.00 1.36 O ATOM 1204 OD2 ASP A 438 6.280 -5.443 8.502 1.00 1.56 O ATOM 0 H ASP A 438 7.607 -2.765 7.845 1.00 0.68 H new ATOM 0 HA ASP A 438 8.918 -4.409 5.849 1.00 0.73 H new ATOM 0 HB2 ASP A 438 5.983 -3.972 6.537 1.00 0.88 H new ATOM 0 HB3 ASP A 438 6.597 -5.207 5.455 1.00 0.88 H new ATOM 1209 N LEU A 439 8.642 -1.846 4.670 1.00 0.54 N ATOM 1210 CA LEU A 439 8.502 -0.922 3.548 1.00 0.53 C ATOM 1211 C LEU A 439 9.843 -0.285 3.181 1.00 0.61 C ATOM 1212 O LEU A 439 10.548 -0.778 2.300 1.00 0.86 O ATOM 1213 CB LEU A 439 7.483 0.167 3.894 1.00 0.52 C ATOM 1214 CG LEU A 439 6.042 -0.314 4.061 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.216 0.736 4.777 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.426 -0.628 2.709 1.00 1.10 C ATOM 0 H LEU A 439 9.413 -1.628 5.301 1.00 0.54 H new ATOM 0 HA LEU A 439 8.151 -1.488 2.685 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.795 0.653 4.818 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.507 0.925 3.111 1.00 0.52 H new ATOM 0 HG LEU A 439 6.051 -1.224 4.660 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.192 0.379 4.889 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.644 0.926 5.761 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.218 1.658 4.196 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.400 -0.969 2.847 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.430 0.269 2.090 1.00 1.10 H new ATOM 0 HD23 LEU A 439 6.005 -1.410 2.218 1.00 1.10 H new ATOM 1228 N GLY A 440 10.194 0.809 3.857 1.00 0.59 N ATOM 1229 CA GLY A 440 11.449 1.479 3.571 1.00 0.77 C ATOM 1230 C GLY A 440 11.851 2.465 4.653 1.00 0.96 C ATOM 1231 O GLY A 440 12.477 3.484 4.368 1.00 1.36 O ATOM 0 H GLY A 440 9.634 1.239 4.593 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.235 0.733 3.456 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.366 2.005 2.620 1.00 0.77 H new ATOM 1235 N GLY A 441 11.501 2.151 5.897 1.00 0.93 N ATOM 1236 CA GLY A 441 11.847 3.013 7.016 1.00 1.24 C ATOM 1237 C GLY A 441 11.388 4.447 6.842 1.00 1.14 C ATOM 1238 O GLY A 441 12.075 5.378 7.261 1.00 1.83 O ATOM 0 H GLY A 441 10.981 1.311 6.152 1.00 0.93 H new ATOM 0 HA2 GLY A 441 11.406 2.607 7.926 1.00 1.24 H new ATOM 0 HA3 GLY A 441 12.928 3.000 7.153 1.00 1.24 H new ATOM 1242 N ILE A 442 10.216 4.620 6.244 1.00 1.10 N ATOM 1243 CA ILE A 442 9.641 5.942 6.033 1.00 1.03 C ATOM 1244 C ILE A 442 10.666 6.921 5.457 1.00 1.05 C ATOM 1245 O ILE A 442 11.249 7.720 6.191 1.00 1.39 O ATOM 1246 CB ILE A 442 9.093 6.505 7.355 1.00 1.26 C ATOM 1247 CG1 ILE A 442 8.082 5.536 7.977 1.00 1.41 C ATOM 1248 CG2 ILE A 442 8.463 7.875 7.141 1.00 1.38 C ATOM 1249 CD1 ILE A 442 6.894 5.239 7.092 1.00 1.48 C ATOM 0 H ILE A 442 9.641 3.854 5.894 1.00 1.10 H new ATOM 0 HA ILE A 442 8.830 5.829 5.314 1.00 1.03 H new ATOM 0 HB ILE A 442 9.928 6.620 8.047 1.00 1.26 H new ATOM 0 HG12 ILE A 442 8.589 4.601 8.214 1.00 1.41 H new ATOM 0 HG13 ILE A 442 7.726 5.953 8.919 1.00 1.41 H new ATOM 0 HG21 ILE A 442 8.083 8.253 8.090 1.00 1.38 H new ATOM 0 HG22 ILE A 442 9.213 8.563 6.751 1.00 1.38 H new ATOM 0 HG23 ILE A 442 7.642 7.791 6.429 1.00 1.38 H new ATOM 0 HD11 ILE A 442 6.225 4.546 7.602 1.00 1.48 H new ATOM 0 HD12 ILE A 442 6.361 6.165 6.875 1.00 1.48 H new ATOM 0 HD13 ILE A 442 7.238 4.791 6.160 1.00 1.48 H new ATOM 1261 N THR A 443 10.889 6.855 4.146 1.00 1.13 N ATOM 1262 CA THR A 443 11.848 7.741 3.499 1.00 1.36 C ATOM 1263 C THR A 443 11.813 7.611 1.981 1.00 1.47 C ATOM 1264 O THR A 443 11.812 6.507 1.435 1.00 2.20 O ATOM 1265 CB THR A 443 13.273 7.458 3.997 1.00 2.21 C ATOM 1266 OG1 THR A 443 14.178 8.452 3.501 1.00 3.05 O ATOM 1267 CG2 THR A 443 13.742 6.078 3.561 1.00 2.78 C ATOM 0 H THR A 443 10.422 6.202 3.517 1.00 1.13 H new ATOM 0 HA THR A 443 11.562 8.759 3.763 1.00 1.36 H new ATOM 0 HB THR A 443 13.259 7.491 5.086 1.00 2.21 H new ATOM 0 HG1 THR A 443 15.083 8.262 3.826 1.00 3.05 H new ATOM 0 HG21 THR A 443 14.754 5.905 3.928 1.00 2.78 H new ATOM 0 HG22 THR A 443 13.073 5.320 3.970 1.00 2.78 H new ATOM 0 HG23 THR A 443 13.735 6.018 2.473 1.00 2.78 H new ATOM 1275 N VAL A 444 11.787 8.756 1.307 1.00 1.90 N ATOM 1276 CA VAL A 444 11.758 8.791 -0.141 1.00 2.70 C ATOM 1277 C VAL A 444 13.170 8.762 -0.722 1.00 3.02 C ATOM 1278 O VAL A 444 13.995 9.629 -0.430 1.00 3.60 O ATOM 1279 CB VAL A 444 11.021 10.044 -0.640 1.00 3.53 C ATOM 1280 CG1 VAL A 444 9.558 9.994 -0.230 1.00 4.18 C ATOM 1281 CG2 VAL A 444 11.681 11.310 -0.108 1.00 4.02 C ATOM 0 H VAL A 444 11.786 9.675 1.749 1.00 1.90 H new ATOM 0 HA VAL A 444 11.223 7.903 -0.479 1.00 2.70 H new ATOM 0 HB VAL A 444 11.078 10.064 -1.728 1.00 3.53 H new ATOM 0 HG11 VAL A 444 9.048 10.888 -0.590 1.00 4.18 H new ATOM 0 HG12 VAL A 444 9.089 9.110 -0.662 1.00 4.18 H new ATOM 0 HG13 VAL A 444 9.486 9.948 0.857 1.00 4.18 H new ATOM 0 HG21 VAL A 444 11.142 12.183 -0.475 1.00 4.02 H new ATOM 0 HG22 VAL A 444 11.659 11.301 0.982 1.00 4.02 H new ATOM 0 HG23 VAL A 444 12.715 11.352 -0.450 1.00 4.02 H new ATOM 1291 N LEU A 445 13.443 7.757 -1.545 1.00 3.13 N ATOM 1292 CA LEU A 445 14.756 7.617 -2.169 1.00 3.83 C ATOM 1293 C LEU A 445 14.920 8.603 -3.326 1.00 4.75 C ATOM 1294 O LEU A 445 14.154 8.575 -4.289 1.00 4.99 O ATOM 1295 CB LEU A 445 14.968 6.183 -2.664 1.00 3.87 C ATOM 1296 CG LEU A 445 15.185 5.132 -1.570 1.00 3.48 C ATOM 1297 CD1 LEU A 445 13.956 5.006 -0.681 1.00 3.82 C ATOM 1298 CD2 LEU A 445 15.537 3.787 -2.187 1.00 3.70 C ATOM 0 H LEU A 445 12.776 7.028 -1.796 1.00 3.13 H new ATOM 0 HA LEU A 445 15.510 7.843 -1.415 1.00 3.83 H new ATOM 0 HB2 LEU A 445 14.102 5.890 -3.258 1.00 3.87 H new ATOM 0 HB3 LEU A 445 15.830 6.171 -3.331 1.00 3.87 H new ATOM 0 HG LEU A 445 16.018 5.459 -0.948 1.00 3.48 H new ATOM 0 HD11 LEU A 445 14.138 4.254 0.086 1.00 3.82 H new ATOM 0 HD12 LEU A 445 13.750 5.966 -0.207 1.00 3.82 H new ATOM 0 HD13 LEU A 445 13.099 4.709 -1.285 1.00 3.82 H new ATOM 0 HD21 LEU A 445 15.688 3.052 -1.396 1.00 3.70 H new ATOM 0 HD22 LEU A 445 14.724 3.460 -2.836 1.00 3.70 H new ATOM 0 HD23 LEU A 445 16.452 3.883 -2.772 1.00 3.70 H new ATOM 1310 N PRO A 446 15.927 9.492 -3.242 1.00 5.56 N ATOM 1311 CA PRO A 446 16.196 10.495 -4.280 1.00 6.59 C ATOM 1312 C PRO A 446 16.725 9.876 -5.570 1.00 7.07 C ATOM 1313 O PRO A 446 17.452 8.883 -5.540 1.00 7.26 O ATOM 1314 CB PRO A 446 17.266 11.401 -3.651 1.00 7.40 C ATOM 1315 CG PRO A 446 17.299 11.039 -2.203 1.00 6.97 C ATOM 1316 CD PRO A 446 16.880 9.601 -2.130 1.00 5.82 C ATOM 0 HA PRO A 446 15.286 11.023 -4.566 1.00 6.59 H new ATOM 0 HB2 PRO A 446 18.238 11.241 -4.117 1.00 7.40 H new ATOM 0 HB3 PRO A 446 17.017 12.454 -3.786 1.00 7.40 H new ATOM 0 HG2 PRO A 446 18.298 11.176 -1.789 1.00 6.97 H new ATOM 0 HG3 PRO A 446 16.625 11.672 -1.626 1.00 6.97 H new ATOM 0 HD2 PRO A 446 17.726 8.925 -2.253 1.00 5.82 H new ATOM 0 HD3 PRO A 446 16.416 9.361 -1.173 1.00 5.82 H new ATOM 1324 N ALA A 447 16.358 10.478 -6.701 1.00 7.52 N ATOM 1325 CA ALA A 447 16.799 10.000 -8.010 1.00 8.19 C ATOM 1326 C ALA A 447 16.288 8.590 -8.302 1.00 8.83 C ATOM 1327 O ALA A 447 17.057 7.629 -8.301 1.00 9.06 O ATOM 1328 CB ALA A 447 18.317 10.047 -8.109 1.00 8.42 C ATOM 0 H ALA A 447 15.755 11.300 -6.736 1.00 7.52 H new ATOM 0 HA ALA A 447 16.374 10.665 -8.762 1.00 8.19 H new ATOM 0 HB1 ALA A 447 18.629 9.688 -9.090 1.00 8.42 H new ATOM 0 HB2 ALA A 447 18.659 11.073 -7.973 1.00 8.42 H new ATOM 0 HB3 ALA A 447 18.752 9.414 -7.336 1.00 8.42 H new ATOM 1334 N PRO A 448 14.975 8.448 -8.564 1.00 9.38 N ATOM 1335 CA PRO A 448 14.367 7.148 -8.868 1.00 10.23 C ATOM 1336 C PRO A 448 14.886 6.561 -10.180 1.00 10.87 C ATOM 1337 O PRO A 448 14.969 7.260 -11.188 1.00 11.06 O ATOM 1338 CB PRO A 448 12.871 7.464 -8.978 1.00 10.80 C ATOM 1339 CG PRO A 448 12.808 8.919 -9.290 1.00 10.31 C ATOM 1340 CD PRO A 448 13.988 9.543 -8.600 1.00 9.48 C ATOM 0 HA PRO A 448 14.600 6.403 -8.107 1.00 10.23 H new ATOM 0 HB2 PRO A 448 12.399 6.871 -9.761 1.00 10.80 H new ATOM 0 HB3 PRO A 448 12.350 7.237 -8.048 1.00 10.80 H new ATOM 0 HG2 PRO A 448 12.850 9.089 -10.366 1.00 10.31 H new ATOM 0 HG3 PRO A 448 11.874 9.354 -8.935 1.00 10.31 H new ATOM 0 HD2 PRO A 448 14.365 10.407 -9.148 1.00 9.48 H new ATOM 0 HD3 PRO A 448 13.733 9.888 -7.598 1.00 9.48 H new ATOM 1348 N PRO A 449 15.251 5.263 -10.182 1.00 11.41 N ATOM 1349 CA PRO A 449 15.769 4.589 -11.377 1.00 12.23 C ATOM 1350 C PRO A 449 14.673 4.224 -12.373 1.00 13.10 C ATOM 1351 O PRO A 449 14.595 3.084 -12.834 1.00 13.50 O ATOM 1352 CB PRO A 449 16.417 3.328 -10.806 1.00 12.72 C ATOM 1353 CG PRO A 449 15.622 3.023 -9.585 1.00 12.39 C ATOM 1354 CD PRO A 449 15.194 4.354 -9.020 1.00 11.49 C ATOM 0 HA PRO A 449 16.451 5.226 -11.941 1.00 12.23 H new ATOM 0 HB2 PRO A 449 16.381 2.505 -11.520 1.00 12.72 H new ATOM 0 HB3 PRO A 449 17.467 3.495 -10.565 1.00 12.72 H new ATOM 0 HG2 PRO A 449 14.757 2.406 -9.828 1.00 12.39 H new ATOM 0 HG3 PRO A 449 16.217 2.466 -8.862 1.00 12.39 H new ATOM 0 HD2 PRO A 449 14.190 4.306 -8.598 1.00 11.49 H new ATOM 0 HD3 PRO A 449 15.859 4.683 -8.222 1.00 11.49 H new ATOM 1362 N LEU A 450 13.833 5.197 -12.704 1.00 13.55 N ATOM 1363 CA LEU A 450 12.742 4.984 -13.649 1.00 14.50 C ATOM 1364 C LEU A 450 12.019 6.292 -13.951 1.00 14.96 C ATOM 1365 O LEU A 450 11.745 7.083 -13.048 1.00 15.17 O ATOM 1366 CB LEU A 450 11.749 3.955 -13.099 1.00 15.07 C ATOM 1367 CG LEU A 450 10.541 3.672 -13.996 1.00 15.25 C ATOM 1368 CD1 LEU A 450 10.989 3.148 -15.353 1.00 15.76 C ATOM 1369 CD2 LEU A 450 9.601 2.682 -13.325 1.00 15.35 C ATOM 0 H LEU A 450 13.886 6.145 -12.331 1.00 13.55 H new ATOM 0 HA LEU A 450 13.171 4.603 -14.576 1.00 14.50 H new ATOM 0 HB2 LEU A 450 12.279 3.019 -12.925 1.00 15.07 H new ATOM 0 HB3 LEU A 450 11.389 4.302 -12.131 1.00 15.07 H new ATOM 0 HG LEU A 450 10.004 4.607 -14.152 1.00 15.25 H new ATOM 0 HD11 LEU A 450 10.115 2.953 -15.975 1.00 15.76 H new ATOM 0 HD12 LEU A 450 11.622 3.891 -15.839 1.00 15.76 H new ATOM 0 HD13 LEU A 450 11.552 2.224 -15.219 1.00 15.76 H new ATOM 0 HD21 LEU A 450 8.748 2.492 -13.976 1.00 15.35 H new ATOM 0 HD22 LEU A 450 10.130 1.748 -13.138 1.00 15.35 H new ATOM 0 HD23 LEU A 450 9.251 3.096 -12.380 1.00 15.35 H new ATOM 1381 N ALA A 451 11.714 6.508 -15.230 1.00 15.28 N ATOM 1382 CA ALA A 451 11.021 7.714 -15.677 1.00 15.91 C ATOM 1383 C ALA A 451 11.873 8.964 -15.450 1.00 16.47 C ATOM 1384 O ALA A 451 12.369 9.199 -14.348 1.00 16.74 O ATOM 1385 CB ALA A 451 9.679 7.849 -14.970 1.00 16.18 C ATOM 0 H ALA A 451 11.939 5.856 -15.981 1.00 15.28 H new ATOM 0 HA ALA A 451 10.846 7.620 -16.749 1.00 15.91 H new ATOM 0 HB1 ALA A 451 9.176 8.752 -15.314 1.00 16.18 H new ATOM 0 HB2 ALA A 451 9.060 6.981 -15.195 1.00 16.18 H new ATOM 0 HB3 ALA A 451 9.839 7.911 -13.894 1.00 16.18 H new ATOM 1391 N PRO A 452 12.053 9.790 -16.499 1.00 16.82 N ATOM 1392 CA PRO A 452 12.847 11.022 -16.413 1.00 17.52 C ATOM 1393 C PRO A 452 12.247 12.029 -15.438 1.00 18.21 C ATOM 1394 O PRO A 452 11.037 12.259 -15.438 1.00 18.53 O ATOM 1395 CB PRO A 452 12.817 11.584 -17.841 1.00 17.79 C ATOM 1396 CG PRO A 452 12.395 10.443 -18.703 1.00 17.36 C ATOM 1397 CD PRO A 452 11.502 9.592 -17.849 1.00 16.73 C ATOM 0 HA PRO A 452 13.853 10.824 -16.044 1.00 17.52 H new ATOM 0 HB2 PRO A 452 12.119 12.417 -17.921 1.00 17.79 H new ATOM 0 HB3 PRO A 452 13.797 11.959 -18.137 1.00 17.79 H new ATOM 0 HG2 PRO A 452 11.867 10.797 -19.589 1.00 17.36 H new ATOM 0 HG3 PRO A 452 13.258 9.876 -19.051 1.00 17.36 H new ATOM 0 HD2 PRO A 452 10.461 9.909 -17.911 1.00 16.73 H new ATOM 0 HD3 PRO A 452 11.534 8.545 -18.149 1.00 16.73 H new ATOM 1405 N ASP A 453 13.098 12.624 -14.609 1.00 18.57 N ATOM 1406 CA ASP A 453 12.652 13.608 -13.628 1.00 19.36 C ATOM 1407 C ASP A 453 12.431 14.973 -14.277 1.00 19.52 C ATOM 1408 O ASP A 453 12.812 16.004 -13.720 1.00 19.55 O ATOM 1409 CB ASP A 453 13.671 13.726 -12.493 1.00 19.71 C ATOM 1410 CG ASP A 453 15.042 14.151 -12.984 1.00 20.25 C ATOM 1411 OD1 ASP A 453 15.633 13.417 -13.804 1.00 20.48 O ATOM 1412 OD2 ASP A 453 15.525 15.217 -12.548 1.00 20.55 O ATOM 0 H ASP A 453 14.102 12.442 -14.597 1.00 18.57 H new ATOM 0 HA ASP A 453 11.701 13.267 -13.219 1.00 19.36 H new ATOM 0 HB2 ASP A 453 13.311 14.448 -11.760 1.00 19.71 H new ATOM 0 HB3 ASP A 453 13.753 12.767 -11.982 1.00 19.71 H new ATOM 1417 N GLN A 454 11.809 14.975 -15.453 1.00 19.77 N ATOM 1418 CA GLN A 454 11.533 16.213 -16.175 1.00 20.09 C ATOM 1419 C GLN A 454 10.670 15.944 -17.404 1.00 20.37 C ATOM 1420 O GLN A 454 10.123 14.826 -17.507 1.00 20.63 O ATOM 1421 CB GLN A 454 12.841 16.890 -16.595 1.00 20.30 C ATOM 1422 CG GLN A 454 13.703 16.035 -17.512 1.00 20.53 C ATOM 1423 CD GLN A 454 14.994 16.723 -17.930 1.00 20.93 C ATOM 1424 OE1 GLN A 454 15.790 16.158 -18.679 1.00 21.22 O ATOM 1425 NE2 GLN A 454 15.210 17.944 -17.448 1.00 21.08 N ATOM 1426 OXT GLN A 454 10.545 16.854 -18.250 1.00 20.45 O ATOM 0 H GLN A 454 11.486 14.131 -15.927 1.00 19.77 H new ATOM 0 HA GLN A 454 10.987 16.879 -15.506 1.00 20.09 H new ATOM 0 HB2 GLN A 454 12.609 17.828 -17.099 1.00 20.30 H new ATOM 0 HB3 GLN A 454 13.413 17.141 -15.702 1.00 20.30 H new ATOM 0 HG2 GLN A 454 13.944 15.100 -17.007 1.00 20.53 H new ATOM 0 HG3 GLN A 454 13.131 15.777 -18.403 1.00 20.53 H new ATOM 0 HE21 GLN A 454 14.524 18.377 -16.830 1.00 21.08 H new ATOM 0 HE22 GLN A 454 16.062 18.447 -17.697 1.00 21.08 H new TER 1435 GLN A 454