USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=14 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 40:sc= 0.548 USER MOD Set 1.2: A 393 HIS : no HD1:sc= -0.694 X(o=0.55,f=0.69) USER MOD Set 1.3: A 443 THR OG1 : rot -48:sc= 0.702 USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 366 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 370 MET CE :methyl 154:sc= -0.304 (180deg=-1.27) USER MOD Single : A 371 GLN : amide:sc= -1.19! K(o=-1.2!,f=0) USER MOD Single : A 372 LYS NZ :NH3+ 171:sc= -3.5! (180deg=-3.79!) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 378 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.34) USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.0012) USER MOD Single : A 399 GLN : amide:sc= -1.28! K(o=-1.3!,f=0) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot -160:sc= -0.0699 USER MOD Single : A 403 THR OG1 : rot -40:sc= -0.355! USER MOD Single : A 405 ASN : amide:sc= -4.2! K(o=-4.2!,f=-1.1) USER MOD Single : A 412 TYR OH : rot -80:sc= -0.868 USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HD1:sc= -0.324 K(o=-0.32,f=-2.6!) USER MOD Single : A 416 TYR OH : rot 180:sc= 0 USER MOD Single : A 420 ASN : amide:sc= -3.18! C(o=-3.2!,f=-11!) USER MOD Single : A 430 HIS : no HD1:sc= -0.387 K(o=-0.39,f=-5.1!) USER MOD Single : A 433 SER OG : rot -13:sc= 0.78 USER MOD Single : A 435 ASN : amide:sc= -3.9! K(o=-3.9!,f=-0.12) USER MOD Single : A 454 GLN : amide:sc= -2.14! C(o=-2.1!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -14.851 -14.712 6.311 1.00 11.64 N ATOM 2 CA GLY A 363 -13.810 -15.729 6.623 1.00 11.03 C ATOM 3 C GLY A 363 -13.314 -16.450 5.385 1.00 10.23 C ATOM 4 O GLY A 363 -13.181 -17.675 5.383 1.00 10.21 O ATOM 0 HA2 GLY A 363 -12.969 -15.243 7.118 1.00 11.03 H new ATOM 0 HA3 GLY A 363 -14.216 -16.457 7.325 1.00 11.03 H new ATOM 10 N SER A 364 -13.040 -15.688 4.330 1.00 9.80 N ATOM 11 CA SER A 364 -12.554 -16.259 3.080 1.00 9.25 C ATOM 12 C SER A 364 -11.217 -16.962 3.287 1.00 8.36 C ATOM 13 O SER A 364 -10.982 -18.040 2.740 1.00 8.24 O ATOM 14 CB SER A 364 -12.414 -15.168 2.017 1.00 9.60 C ATOM 15 OG SER A 364 -11.958 -15.707 0.788 1.00 9.86 O ATOM 0 H SER A 364 -13.147 -14.674 4.317 1.00 9.80 H new ATOM 0 HA SER A 364 -13.281 -16.996 2.738 1.00 9.25 H new ATOM 0 HB2 SER A 364 -13.375 -14.676 1.867 1.00 9.60 H new ATOM 0 HB3 SER A 364 -11.717 -14.405 2.364 1.00 9.60 H new ATOM 0 HG SER A 364 -11.879 -14.989 0.125 1.00 9.86 H new ATOM 21 N HIS A 365 -10.346 -16.340 4.083 1.00 7.98 N ATOM 22 CA HIS A 365 -9.025 -16.895 4.375 1.00 7.35 C ATOM 23 C HIS A 365 -8.154 -16.942 3.122 1.00 6.30 C ATOM 24 O HIS A 365 -8.623 -17.281 2.035 1.00 6.44 O ATOM 25 CB HIS A 365 -9.150 -18.297 4.980 1.00 7.88 C ATOM 26 CG HIS A 365 -7.830 -18.947 5.263 1.00 7.65 C ATOM 27 ND1 HIS A 365 -6.886 -18.401 6.108 1.00 7.18 N ATOM 28 CD2 HIS A 365 -7.296 -20.104 4.804 1.00 8.07 C ATOM 29 CE1 HIS A 365 -5.829 -19.192 6.154 1.00 7.26 C ATOM 30 NE2 HIS A 365 -6.053 -20.232 5.372 1.00 7.79 N ATOM 0 H HIS A 365 -10.534 -15.447 4.539 1.00 7.98 H new ATOM 0 HA HIS A 365 -8.544 -16.238 5.100 1.00 7.35 H new ATOM 0 HB2 HIS A 365 -9.721 -18.234 5.906 1.00 7.88 H new ATOM 0 HB3 HIS A 365 -9.718 -18.929 4.297 1.00 7.88 H new ATOM 0 HD2 HIS A 365 -7.762 -20.797 4.119 1.00 8.07 H new ATOM 0 HE1 HIS A 365 -4.934 -19.018 6.733 1.00 7.26 H new ATOM 0 HE2 HIS A 365 -5.407 -21.005 5.215 1.00 7.79 H new ATOM 39 N MET A 366 -6.881 -16.599 3.287 1.00 5.51 N ATOM 40 CA MET A 366 -5.937 -16.601 2.177 1.00 4.67 C ATOM 41 C MET A 366 -4.504 -16.499 2.691 1.00 4.56 C ATOM 42 O MET A 366 -4.181 -15.606 3.474 1.00 4.71 O ATOM 43 CB MET A 366 -6.237 -15.441 1.223 1.00 4.15 C ATOM 44 CG MET A 366 -5.310 -15.385 0.020 1.00 3.72 C ATOM 45 SD MET A 366 -5.690 -14.011 -1.085 1.00 3.31 S ATOM 46 CE MET A 366 -4.442 -14.236 -2.351 1.00 2.76 C ATOM 0 H MET A 366 -6.479 -16.316 4.181 1.00 5.51 H new ATOM 0 HA MET A 366 -6.046 -17.541 1.635 1.00 4.67 H new ATOM 0 HB2 MET A 366 -7.266 -15.526 0.874 1.00 4.15 H new ATOM 0 HB3 MET A 366 -6.163 -14.502 1.772 1.00 4.15 H new ATOM 0 HG2 MET A 366 -4.280 -15.296 0.364 1.00 3.72 H new ATOM 0 HG3 MET A 366 -5.381 -16.322 -0.533 1.00 3.72 H new ATOM 0 HE1 MET A 366 -4.548 -13.459 -3.108 1.00 2.76 H new ATOM 0 HE2 MET A 366 -3.451 -14.171 -1.901 1.00 2.76 H new ATOM 0 HE3 MET A 366 -4.567 -15.215 -2.815 1.00 2.76 H new ATOM 56 N ASP A 367 -3.654 -17.420 2.238 1.00 4.67 N ATOM 57 CA ASP A 367 -2.252 -17.454 2.637 1.00 4.80 C ATOM 58 C ASP A 367 -2.102 -17.621 4.151 1.00 4.50 C ATOM 59 O ASP A 367 -2.558 -16.784 4.928 1.00 4.10 O ATOM 60 CB ASP A 367 -1.552 -16.182 2.172 1.00 4.92 C ATOM 61 CG ASP A 367 -1.431 -16.103 0.663 1.00 5.55 C ATOM 62 OD1 ASP A 367 -1.896 -17.040 -0.019 1.00 6.06 O ATOM 63 OD2 ASP A 367 -0.871 -15.106 0.162 1.00 5.80 O ATOM 0 H ASP A 367 -3.919 -18.159 1.587 1.00 4.67 H new ATOM 0 HA ASP A 367 -1.785 -18.318 2.163 1.00 4.80 H new ATOM 0 HB2 ASP A 367 -2.104 -15.315 2.535 1.00 4.92 H new ATOM 0 HB3 ASP A 367 -0.557 -16.136 2.616 1.00 4.92 H new ATOM 68 N PRO A 368 -1.450 -18.715 4.592 1.00 4.98 N ATOM 69 CA PRO A 368 -1.242 -18.988 6.016 1.00 5.12 C ATOM 70 C PRO A 368 -0.086 -18.187 6.608 1.00 5.15 C ATOM 71 O PRO A 368 0.713 -18.717 7.382 1.00 5.66 O ATOM 72 CB PRO A 368 -0.922 -20.481 6.031 1.00 5.90 C ATOM 73 CG PRO A 368 -0.247 -20.728 4.725 1.00 6.16 C ATOM 74 CD PRO A 368 -0.868 -19.772 3.739 1.00 5.69 C ATOM 0 HA PRO A 368 -2.107 -18.709 6.618 1.00 5.12 H new ATOM 0 HB2 PRO A 368 -0.274 -20.740 6.868 1.00 5.90 H new ATOM 0 HB3 PRO A 368 -1.827 -21.080 6.130 1.00 5.90 H new ATOM 0 HG2 PRO A 368 0.827 -20.561 4.805 1.00 6.16 H new ATOM 0 HG3 PRO A 368 -0.386 -21.761 4.405 1.00 6.16 H new ATOM 0 HD2 PRO A 368 -0.125 -19.368 3.052 1.00 5.69 H new ATOM 0 HD3 PRO A 368 -1.630 -20.262 3.133 1.00 5.69 H new ATOM 82 N LEU A 369 0.007 -16.911 6.241 1.00 4.84 N ATOM 83 CA LEU A 369 1.074 -16.053 6.740 1.00 5.12 C ATOM 84 C LEU A 369 0.825 -14.594 6.375 1.00 4.61 C ATOM 85 O LEU A 369 1.313 -13.685 7.048 1.00 4.91 O ATOM 86 CB LEU A 369 2.423 -16.502 6.173 1.00 5.80 C ATOM 87 CG LEU A 369 2.697 -16.112 4.716 1.00 6.34 C ATOM 88 CD1 LEU A 369 4.097 -16.541 4.307 1.00 6.73 C ATOM 89 CD2 LEU A 369 1.661 -16.725 3.784 1.00 6.94 C ATOM 0 H LEU A 369 -0.642 -16.451 5.602 1.00 4.84 H new ATOM 0 HA LEU A 369 1.090 -16.139 7.827 1.00 5.12 H new ATOM 0 HB2 LEU A 369 3.214 -16.085 6.796 1.00 5.80 H new ATOM 0 HB3 LEU A 369 2.489 -17.587 6.258 1.00 5.80 H new ATOM 0 HG LEU A 369 2.626 -15.027 4.636 1.00 6.34 H new ATOM 0 HD11 LEU A 369 4.276 -16.257 3.270 1.00 6.73 H new ATOM 0 HD12 LEU A 369 4.830 -16.052 4.949 1.00 6.73 H new ATOM 0 HD13 LEU A 369 4.190 -17.622 4.408 1.00 6.73 H new ATOM 0 HD21 LEU A 369 1.878 -16.433 2.756 1.00 6.94 H new ATOM 0 HD22 LEU A 369 1.694 -17.811 3.867 1.00 6.94 H new ATOM 0 HD23 LEU A 369 0.668 -16.370 4.060 1.00 6.94 H new ATOM 101 N MET A 370 0.080 -14.374 5.297 1.00 4.12 N ATOM 102 CA MET A 370 -0.211 -13.023 4.838 1.00 3.87 C ATOM 103 C MET A 370 -1.687 -12.866 4.474 1.00 3.02 C ATOM 104 O MET A 370 -2.028 -12.598 3.322 1.00 3.06 O ATOM 105 CB MET A 370 0.665 -12.679 3.631 1.00 4.63 C ATOM 106 CG MET A 370 0.532 -11.236 3.168 1.00 5.03 C ATOM 107 SD MET A 370 1.385 -10.933 1.610 1.00 5.63 S ATOM 108 CE MET A 370 0.527 -12.081 0.536 1.00 5.52 C ATOM 0 H MET A 370 -0.332 -15.113 4.727 1.00 4.12 H new ATOM 0 HA MET A 370 0.011 -12.335 5.654 1.00 3.87 H new ATOM 0 HB2 MET A 370 1.707 -12.876 3.882 1.00 4.63 H new ATOM 0 HB3 MET A 370 0.406 -13.341 2.805 1.00 4.63 H new ATOM 0 HG2 MET A 370 -0.524 -10.989 3.055 1.00 5.03 H new ATOM 0 HG3 MET A 370 0.934 -10.573 3.934 1.00 5.03 H new ATOM 0 HE1 MET A 370 0.580 -11.726 -0.493 1.00 5.52 H new ATOM 0 HE2 MET A 370 0.995 -13.063 0.605 1.00 5.52 H new ATOM 0 HE3 MET A 370 -0.517 -12.154 0.841 1.00 5.52 H new ATOM 118 N GLN A 371 -2.560 -13.032 5.463 1.00 2.80 N ATOM 119 CA GLN A 371 -3.995 -12.901 5.237 1.00 2.63 C ATOM 120 C GLN A 371 -4.328 -11.505 4.721 1.00 2.21 C ATOM 121 O GLN A 371 -3.790 -10.510 5.208 1.00 2.80 O ATOM 122 CB GLN A 371 -4.772 -13.179 6.525 1.00 3.46 C ATOM 123 CG GLN A 371 -4.528 -14.566 7.098 1.00 3.91 C ATOM 124 CD GLN A 371 -5.361 -14.854 8.337 1.00 4.54 C ATOM 125 OE1 GLN A 371 -5.263 -15.933 8.923 1.00 4.97 O ATOM 126 NE2 GLN A 371 -6.188 -13.895 8.743 1.00 5.04 N ATOM 0 H GLN A 371 -2.301 -13.256 6.424 1.00 2.80 H new ATOM 0 HA GLN A 371 -4.289 -13.635 4.486 1.00 2.63 H new ATOM 0 HB2 GLN A 371 -4.499 -12.434 7.272 1.00 3.46 H new ATOM 0 HB3 GLN A 371 -5.838 -13.058 6.329 1.00 3.46 H new ATOM 0 HG2 GLN A 371 -4.752 -15.312 6.336 1.00 3.91 H new ATOM 0 HG3 GLN A 371 -3.472 -14.670 7.345 1.00 3.91 H new ATOM 0 HE21 GLN A 371 -6.240 -13.015 8.230 1.00 5.04 H new ATOM 0 HE22 GLN A 371 -6.771 -14.039 9.568 1.00 5.04 H new ATOM 135 N LYS A 372 -5.210 -11.443 3.727 1.00 1.82 N ATOM 136 CA LYS A 372 -5.613 -10.172 3.133 1.00 1.77 C ATOM 137 C LYS A 372 -6.017 -9.159 4.202 1.00 1.50 C ATOM 138 O LYS A 372 -6.811 -9.461 5.094 1.00 1.89 O ATOM 139 CB LYS A 372 -6.770 -10.395 2.158 1.00 2.26 C ATOM 140 CG LYS A 372 -7.958 -11.114 2.775 1.00 2.93 C ATOM 141 CD LYS A 372 -9.089 -11.283 1.774 1.00 3.98 C ATOM 142 CE LYS A 372 -10.299 -11.953 2.405 1.00 4.77 C ATOM 143 NZ LYS A 372 -9.967 -13.296 2.960 1.00 5.39 N ATOM 0 H LYS A 372 -5.660 -12.260 3.315 1.00 1.82 H new ATOM 0 HA LYS A 372 -4.757 -9.766 2.594 1.00 1.77 H new ATOM 0 HB2 LYS A 372 -7.100 -9.430 1.773 1.00 2.26 H new ATOM 0 HB3 LYS A 372 -6.410 -10.972 1.306 1.00 2.26 H new ATOM 0 HG2 LYS A 372 -7.644 -12.092 3.139 1.00 2.93 H new ATOM 0 HG3 LYS A 372 -8.316 -10.553 3.638 1.00 2.93 H new ATOM 0 HD2 LYS A 372 -9.376 -10.308 1.381 1.00 3.98 H new ATOM 0 HD3 LYS A 372 -8.742 -11.878 0.929 1.00 3.98 H new ATOM 0 HE2 LYS A 372 -10.691 -11.319 3.200 1.00 4.77 H new ATOM 0 HE3 LYS A 372 -11.088 -12.054 1.659 1.00 4.77 H new ATOM 0 HZ1 LYS A 372 -10.773 -13.652 3.512 1.00 5.39 H new ATOM 0 HZ2 LYS A 372 -9.764 -13.953 2.180 1.00 5.39 H new ATOM 0 HZ3 LYS A 372 -9.132 -13.221 3.576 1.00 5.39 H new ATOM 157 N ILE A 373 -5.456 -7.955 4.105 1.00 1.42 N ATOM 158 CA ILE A 373 -5.743 -6.888 5.059 1.00 1.22 C ATOM 159 C ILE A 373 -7.182 -6.396 4.934 1.00 1.13 C ATOM 160 O ILE A 373 -7.638 -6.050 3.843 1.00 1.20 O ATOM 161 CB ILE A 373 -4.786 -5.693 4.862 1.00 1.16 C ATOM 162 CG1 ILE A 373 -3.335 -6.130 5.088 1.00 1.40 C ATOM 163 CG2 ILE A 373 -5.157 -4.550 5.797 1.00 1.26 C ATOM 164 CD1 ILE A 373 -2.325 -5.022 4.877 1.00 1.48 C ATOM 0 H ILE A 373 -4.797 -7.694 3.371 1.00 1.42 H new ATOM 0 HA ILE A 373 -5.597 -7.309 6.054 1.00 1.22 H new ATOM 0 HB ILE A 373 -4.882 -5.337 3.836 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -3.234 -6.513 6.104 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -3.104 -6.954 4.413 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -4.471 -3.717 5.643 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -6.176 -4.225 5.587 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -5.090 -4.889 6.831 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -1.321 -5.406 5.055 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -2.397 -4.654 3.853 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -2.529 -4.206 5.571 1.00 1.48 H new ATOM 176 N ASP A 374 -7.887 -6.354 6.061 1.00 1.16 N ATOM 177 CA ASP A 374 -9.266 -5.890 6.089 1.00 1.17 C ATOM 178 C ASP A 374 -9.323 -4.404 6.430 1.00 1.03 C ATOM 179 O ASP A 374 -8.694 -3.959 7.388 1.00 1.25 O ATOM 180 CB ASP A 374 -10.063 -6.692 7.117 1.00 1.40 C ATOM 181 CG ASP A 374 -11.241 -7.422 6.501 1.00 1.77 C ATOM 182 OD1 ASP A 374 -12.121 -6.749 5.925 1.00 2.04 O ATOM 183 OD2 ASP A 374 -11.284 -8.667 6.597 1.00 2.17 O ATOM 0 H ASP A 374 -7.521 -6.638 6.970 1.00 1.16 H new ATOM 0 HA ASP A 374 -9.704 -6.037 5.102 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -9.404 -7.414 7.599 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -10.424 -6.020 7.896 1.00 1.40 H new ATOM 188 N ILE A 375 -10.065 -3.638 5.638 1.00 0.84 N ATOM 189 CA ILE A 375 -10.185 -2.204 5.863 1.00 0.76 C ATOM 190 C ILE A 375 -11.325 -1.866 6.816 1.00 0.76 C ATOM 191 O ILE A 375 -11.197 -0.981 7.660 1.00 0.79 O ATOM 192 CB ILE A 375 -10.416 -1.440 4.552 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.296 -1.737 3.556 1.00 0.82 C ATOM 194 CG2 ILE A 375 -10.516 0.050 4.834 1.00 0.84 C ATOM 195 CD1 ILE A 375 -9.504 -3.015 2.772 1.00 0.92 C ATOM 0 H ILE A 375 -10.591 -3.986 4.836 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.238 -1.897 6.307 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.354 -1.771 4.107 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -9.211 -0.903 2.859 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -8.350 -1.801 4.094 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -10.680 0.587 3.900 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -11.349 0.237 5.511 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -9.590 0.396 5.294 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -8.670 -3.160 2.085 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -9.559 -3.859 3.460 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -10.433 -2.947 2.206 1.00 0.92 H new ATOM 207 N SER A 376 -12.446 -2.554 6.649 1.00 0.79 N ATOM 208 CA SER A 376 -13.629 -2.316 7.468 1.00 0.87 C ATOM 209 C SER A 376 -13.292 -2.249 8.953 1.00 0.96 C ATOM 210 O SER A 376 -14.005 -1.616 9.732 1.00 1.54 O ATOM 211 CB SER A 376 -14.675 -3.403 7.219 1.00 0.95 C ATOM 212 OG SER A 376 -14.171 -4.684 7.554 1.00 1.71 O ATOM 0 H SER A 376 -12.562 -3.287 5.949 1.00 0.79 H new ATOM 0 HA SER A 376 -14.035 -1.347 7.177 1.00 0.87 H new ATOM 0 HB2 SER A 376 -15.568 -3.195 7.809 1.00 0.95 H new ATOM 0 HB3 SER A 376 -14.975 -3.390 6.171 1.00 0.95 H new ATOM 0 HG SER A 376 -14.860 -5.361 7.387 1.00 1.71 H new ATOM 218 N GLU A 377 -12.216 -2.911 9.337 1.00 0.93 N ATOM 219 CA GLU A 377 -11.794 -2.936 10.732 1.00 1.03 C ATOM 220 C GLU A 377 -11.322 -1.564 11.209 1.00 0.87 C ATOM 221 O GLU A 377 -11.590 -1.170 12.343 1.00 0.93 O ATOM 222 CB GLU A 377 -10.690 -3.973 10.947 1.00 1.18 C ATOM 223 CG GLU A 377 -9.410 -3.670 10.189 1.00 1.28 C ATOM 224 CD GLU A 377 -8.336 -4.716 10.417 1.00 1.54 C ATOM 225 OE1 GLU A 377 -8.582 -5.898 10.097 1.00 1.92 O ATOM 226 OE2 GLU A 377 -7.251 -4.354 10.918 1.00 1.90 O ATOM 0 H GLU A 377 -11.616 -3.440 8.704 1.00 0.93 H new ATOM 0 HA GLU A 377 -12.665 -3.215 11.325 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -10.465 -4.035 12.012 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -11.059 -4.952 10.642 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -9.630 -3.606 9.123 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -9.033 -2.694 10.496 1.00 1.28 H new ATOM 233 N ASN A 378 -10.609 -0.843 10.347 1.00 0.71 N ATOM 234 CA ASN A 378 -10.096 0.478 10.702 1.00 0.61 C ATOM 235 C ASN A 378 -9.939 1.380 9.481 1.00 0.58 C ATOM 236 O ASN A 378 -8.823 1.736 9.099 1.00 0.59 O ATOM 237 CB ASN A 378 -8.757 0.349 11.433 1.00 0.62 C ATOM 238 CG ASN A 378 -8.912 0.011 12.904 1.00 1.15 C ATOM 239 OD1 ASN A 378 -8.122 -0.750 13.461 1.00 1.16 O ATOM 240 ND2 ASN A 378 -9.906 0.609 13.555 1.00 2.14 N ATOM 0 H ASN A 378 -10.374 -1.149 9.403 1.00 0.71 H new ATOM 0 HA ASN A 378 -10.828 0.942 11.363 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.159 -0.424 10.950 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -8.206 1.285 11.337 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -10.034 0.443 14.553 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -10.540 1.233 13.056 1.00 2.14 H new ATOM 247 N PRO A 379 -11.062 1.768 8.855 1.00 0.62 N ATOM 248 CA PRO A 379 -11.052 2.644 7.677 1.00 0.65 C ATOM 249 C PRO A 379 -10.235 3.915 7.903 1.00 0.61 C ATOM 250 O PRO A 379 -9.501 4.360 7.020 1.00 0.62 O ATOM 251 CB PRO A 379 -12.530 3.000 7.508 1.00 0.77 C ATOM 252 CG PRO A 379 -13.256 1.832 8.071 1.00 0.85 C ATOM 253 CD PRO A 379 -12.436 1.390 9.247 1.00 0.75 C ATOM 0 HA PRO A 379 -10.600 2.161 6.811 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.781 3.918 8.039 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.784 3.158 6.460 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.266 2.106 8.376 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.350 1.034 7.334 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.745 1.889 10.165 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.525 0.318 9.421 1.00 0.75 H new ATOM 261 N ASP A 380 -10.374 4.493 9.093 1.00 0.62 N ATOM 262 CA ASP A 380 -9.658 5.717 9.446 1.00 0.64 C ATOM 263 C ASP A 380 -8.155 5.473 9.540 1.00 0.55 C ATOM 264 O ASP A 380 -7.355 6.322 9.147 1.00 0.55 O ATOM 265 CB ASP A 380 -10.180 6.271 10.773 1.00 0.75 C ATOM 266 CG ASP A 380 -11.651 6.634 10.713 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.475 5.733 10.448 1.00 1.20 O ATOM 268 OD2 ASP A 380 -11.979 7.820 10.932 1.00 1.21 O ATOM 0 H ASP A 380 -10.978 4.133 9.832 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.835 6.447 8.656 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -10.023 5.531 11.558 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.602 7.154 11.047 1.00 0.75 H new ATOM 273 N LYS A 381 -7.782 4.313 10.073 1.00 0.51 N ATOM 274 CA LYS A 381 -6.376 3.950 10.234 1.00 0.47 C ATOM 275 C LYS A 381 -5.598 4.182 8.942 1.00 0.39 C ATOM 276 O LYS A 381 -5.987 3.706 7.876 1.00 0.37 O ATOM 277 CB LYS A 381 -6.266 2.484 10.662 1.00 0.50 C ATOM 278 CG LYS A 381 -4.842 1.989 10.849 1.00 0.52 C ATOM 279 CD LYS A 381 -4.823 0.531 11.286 1.00 0.59 C ATOM 280 CE LYS A 381 -3.405 -0.003 11.410 1.00 0.67 C ATOM 281 NZ LYS A 381 -3.387 -1.440 11.806 1.00 1.66 N ATOM 0 H LYS A 381 -8.437 3.604 10.403 1.00 0.51 H new ATOM 0 HA LYS A 381 -5.942 4.585 11.006 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.810 2.350 11.597 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.758 1.862 9.914 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.289 2.100 9.916 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.335 2.602 11.594 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.334 0.432 12.244 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.377 -0.072 10.566 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -2.886 0.118 10.459 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.859 0.584 12.148 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -2.403 -1.767 11.880 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -3.860 -1.553 12.726 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.886 -2.004 11.089 1.00 1.66 H new ATOM 295 N ILE A 382 -4.501 4.926 9.048 1.00 0.40 N ATOM 296 CA ILE A 382 -3.665 5.234 7.893 1.00 0.35 C ATOM 297 C ILE A 382 -2.636 4.133 7.648 1.00 0.34 C ATOM 298 O ILE A 382 -1.878 3.770 8.546 1.00 0.41 O ATOM 299 CB ILE A 382 -2.930 6.579 8.083 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.930 7.693 8.415 1.00 0.38 C ATOM 301 CG2 ILE A 382 -2.124 6.933 6.841 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.989 7.903 7.352 1.00 0.37 C ATOM 0 H ILE A 382 -4.170 5.328 9.925 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.326 5.304 7.029 1.00 0.35 H new ATOM 0 HB ILE A 382 -2.238 6.477 8.919 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.419 7.459 9.360 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -3.385 8.626 8.561 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.615 7.884 6.997 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.387 6.153 6.651 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.793 7.016 5.984 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.658 8.707 7.659 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.511 8.169 6.409 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.561 6.984 7.222 1.00 0.37 H new ATOM 314 N TYR A 383 -2.607 3.615 6.423 1.00 0.30 N ATOM 315 CA TYR A 383 -1.660 2.565 6.060 1.00 0.30 C ATOM 316 C TYR A 383 -0.542 3.141 5.199 1.00 0.28 C ATOM 317 O TYR A 383 -0.781 4.028 4.386 1.00 0.25 O ATOM 318 CB TYR A 383 -2.362 1.437 5.297 1.00 0.32 C ATOM 319 CG TYR A 383 -3.434 0.716 6.088 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.548 1.390 6.570 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.329 -0.645 6.347 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.527 0.729 7.288 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.303 -1.312 7.065 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.400 -0.621 7.532 1.00 0.52 C ATOM 325 OH TYR A 383 -6.373 -1.283 8.246 1.00 0.63 O ATOM 0 H TYR A 383 -3.227 3.904 5.667 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.239 2.158 6.979 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.811 1.851 4.394 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.614 0.711 4.977 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.651 2.448 6.381 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.472 -1.191 5.981 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.387 1.268 7.656 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.205 -2.370 7.259 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.132 -2.229 8.328 1.00 0.63 H new ATOM 335 N PHE A 384 0.675 2.636 5.374 1.00 0.31 N ATOM 336 CA PHE A 384 1.807 3.117 4.588 1.00 0.30 C ATOM 337 C PHE A 384 1.952 2.304 3.305 1.00 0.28 C ATOM 338 O PHE A 384 1.821 1.081 3.319 1.00 0.33 O ATOM 339 CB PHE A 384 3.110 3.061 5.393 1.00 0.40 C ATOM 340 CG PHE A 384 3.088 3.874 6.660 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.173 3.586 7.663 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.979 4.918 6.854 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.148 4.325 8.830 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.958 5.659 8.021 1.00 0.64 C ATOM 345 CZ PHE A 384 3.051 5.389 8.992 1.00 0.74 C ATOM 0 H PHE A 384 0.902 1.902 6.045 1.00 0.31 H new ATOM 0 HA PHE A 384 1.611 4.158 4.330 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.324 2.022 5.645 1.00 0.40 H new ATOM 0 HB3 PHE A 384 3.928 3.412 4.764 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.472 2.775 7.530 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.698 5.155 6.084 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.441 4.087 9.611 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.670 6.459 8.160 1.00 0.64 H new ATOM 0 HZ PHE A 384 3.023 5.991 9.888 1.00 0.74 H new ATOM 355 N ILE A 385 2.216 2.992 2.197 1.00 0.26 N ATOM 356 CA ILE A 385 2.368 2.326 0.908 1.00 0.27 C ATOM 357 C ILE A 385 3.724 2.632 0.286 1.00 0.24 C ATOM 358 O ILE A 385 4.087 3.793 0.104 1.00 0.30 O ATOM 359 CB ILE A 385 1.271 2.749 -0.097 1.00 0.33 C ATOM 360 CG1 ILE A 385 -0.128 2.572 0.496 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.401 1.946 -1.384 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.477 3.597 1.547 1.00 0.32 C ATOM 0 H ILE A 385 2.328 4.005 2.166 1.00 0.26 H new ATOM 0 HA ILE A 385 2.280 1.258 1.108 1.00 0.27 H new ATOM 0 HB ILE A 385 1.409 3.807 -0.319 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.863 2.624 -0.308 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.204 1.576 0.933 1.00 0.32 H new ATOM 0 HG21 ILE A 385 0.624 2.252 -2.084 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.380 2.126 -1.828 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.292 0.884 -1.163 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.483 3.407 1.921 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.234 3.531 2.370 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.434 4.595 1.110 1.00 0.32 H new ATOM 374 N ARG A 386 4.460 1.581 -0.055 1.00 0.29 N ATOM 375 CA ARG A 386 5.767 1.736 -0.678 1.00 0.30 C ATOM 376 C ARG A 386 5.615 1.933 -2.181 1.00 0.33 C ATOM 377 O ARG A 386 5.132 1.043 -2.882 1.00 0.42 O ATOM 378 CB ARG A 386 6.633 0.504 -0.401 1.00 0.38 C ATOM 379 CG ARG A 386 7.980 0.532 -1.105 1.00 0.50 C ATOM 380 CD ARG A 386 8.755 -0.753 -0.870 1.00 1.02 C ATOM 381 NE ARG A 386 10.017 -0.772 -1.607 1.00 1.40 N ATOM 382 CZ ARG A 386 10.872 -1.794 -1.599 1.00 1.86 C ATOM 383 NH1 ARG A 386 10.612 -2.886 -0.890 1.00 2.42 N ATOM 384 NH2 ARG A 386 11.993 -1.723 -2.303 1.00 2.39 N ATOM 0 H ARG A 386 4.173 0.613 0.090 1.00 0.29 H new ATOM 0 HA ARG A 386 6.252 2.615 -0.253 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.796 0.420 0.673 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.089 -0.388 -0.711 1.00 0.38 H new ATOM 0 HG2 ARG A 386 7.830 0.678 -2.175 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.562 1.381 -0.746 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.955 -0.866 0.195 1.00 1.02 H new ATOM 0 HD3 ARG A 386 8.146 -1.605 -1.172 1.00 1.02 H new ATOM 0 HE ARG A 386 10.258 0.049 -2.162 1.00 1.40 H new ATOM 0 HH11 ARG A 386 9.752 -2.948 -0.345 1.00 2.42 H new ATOM 0 HH12 ARG A 386 11.272 -3.663 -0.890 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.200 -0.887 -2.850 1.00 2.39 H new ATOM 0 HH22 ARG A 386 12.649 -2.504 -2.298 1.00 2.39 H new ATOM 398 N ARG A 387 6.031 3.093 -2.678 1.00 0.41 N ATOM 399 CA ARG A 387 5.934 3.375 -4.105 1.00 0.51 C ATOM 400 C ARG A 387 6.949 2.549 -4.888 1.00 0.49 C ATOM 401 O ARG A 387 7.885 1.994 -4.311 1.00 0.47 O ATOM 402 CB ARG A 387 6.123 4.866 -4.383 1.00 0.63 C ATOM 403 CG ARG A 387 5.056 5.740 -3.744 1.00 0.84 C ATOM 404 CD ARG A 387 5.126 7.173 -4.252 1.00 0.94 C ATOM 405 NE ARG A 387 4.907 7.257 -5.695 1.00 1.32 N ATOM 406 CZ ARG A 387 3.743 6.997 -6.288 1.00 1.79 C ATOM 407 NH1 ARG A 387 2.669 6.711 -5.562 1.00 2.30 N ATOM 408 NH2 ARG A 387 3.648 7.044 -7.609 1.00 2.25 N ATOM 0 H ARG A 387 6.434 3.846 -2.120 1.00 0.41 H new ATOM 0 HA ARG A 387 4.934 3.094 -4.436 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.102 5.175 -4.017 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.119 5.030 -5.461 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.070 5.326 -3.957 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.178 5.731 -2.661 1.00 0.84 H new ATOM 0 HD2 ARG A 387 4.379 7.777 -3.737 1.00 0.94 H new ATOM 0 HD3 ARG A 387 6.101 7.596 -4.009 1.00 0.94 H new ATOM 0 HE ARG A 387 5.694 7.531 -6.284 1.00 1.32 H new ATOM 0 HH11 ARG A 387 2.732 6.689 -4.544 1.00 2.30 H new ATOM 0 HH12 ARG A 387 1.780 6.513 -6.022 1.00 2.30 H new ATOM 0 HH21 ARG A 387 4.466 7.279 -8.171 1.00 2.25 H new ATOM 0 HH22 ARG A 387 2.757 6.845 -8.064 1.00 2.25 H new ATOM 422 N GLU A 388 6.750 2.460 -6.201 1.00 0.64 N ATOM 423 CA GLU A 388 7.640 1.688 -7.063 1.00 0.69 C ATOM 424 C GLU A 388 9.103 2.048 -6.811 1.00 0.61 C ATOM 425 O GLU A 388 9.971 1.174 -6.803 1.00 0.63 O ATOM 426 CB GLU A 388 7.296 1.908 -8.543 1.00 0.88 C ATOM 427 CG GLU A 388 7.452 3.348 -9.013 1.00 1.58 C ATOM 428 CD GLU A 388 6.300 4.243 -8.593 1.00 2.20 C ATOM 429 OE1 GLU A 388 5.296 3.709 -8.074 1.00 2.65 O ATOM 430 OE2 GLU A 388 6.407 5.475 -8.761 1.00 2.82 O ATOM 0 H GLU A 388 5.979 2.914 -6.691 1.00 0.64 H new ATOM 0 HA GLU A 388 7.496 0.635 -6.821 1.00 0.69 H new ATOM 0 HB2 GLU A 388 7.934 1.268 -9.152 1.00 0.88 H new ATOM 0 HB3 GLU A 388 6.268 1.590 -8.717 1.00 0.88 H new ATOM 0 HG2 GLU A 388 8.382 3.754 -8.616 1.00 1.58 H new ATOM 0 HG3 GLU A 388 7.536 3.361 -10.100 1.00 1.58 H new ATOM 437 N ASP A 389 9.370 3.334 -6.606 1.00 0.65 N ATOM 438 CA ASP A 389 10.729 3.795 -6.351 1.00 0.69 C ATOM 439 C ASP A 389 11.255 3.257 -5.021 1.00 0.64 C ATOM 440 O ASP A 389 12.441 2.956 -4.892 1.00 0.91 O ATOM 441 CB ASP A 389 10.796 5.327 -6.376 1.00 0.81 C ATOM 442 CG ASP A 389 9.822 5.986 -5.416 1.00 0.80 C ATOM 443 OD1 ASP A 389 9.078 5.251 -4.733 1.00 1.06 O ATOM 444 OD2 ASP A 389 9.802 7.232 -5.344 1.00 1.23 O ATOM 0 H ASP A 389 8.666 4.072 -6.611 1.00 0.65 H new ATOM 0 HA ASP A 389 11.366 3.408 -7.146 1.00 0.69 H new ATOM 0 HB2 ASP A 389 11.809 5.644 -6.129 1.00 0.81 H new ATOM 0 HB3 ASP A 389 10.591 5.676 -7.388 1.00 0.81 H new ATOM 449 N GLY A 390 10.367 3.135 -4.037 1.00 0.55 N ATOM 450 CA GLY A 390 10.767 2.631 -2.735 1.00 0.53 C ATOM 451 C GLY A 390 10.313 3.528 -1.600 1.00 0.55 C ATOM 452 O GLY A 390 10.048 3.056 -0.493 1.00 1.03 O ATOM 0 H GLY A 390 9.379 3.376 -4.118 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.353 1.633 -2.593 1.00 0.53 H new ATOM 0 HA3 GLY A 390 11.852 2.533 -2.705 1.00 0.53 H new ATOM 456 N THR A 391 10.238 4.825 -1.875 1.00 0.57 N ATOM 457 CA THR A 391 9.829 5.806 -0.878 1.00 0.54 C ATOM 458 C THR A 391 8.429 5.528 -0.338 1.00 0.41 C ATOM 459 O THR A 391 7.435 5.635 -1.060 1.00 0.44 O ATOM 460 CB THR A 391 9.875 7.235 -1.444 1.00 0.71 C ATOM 461 OG1 THR A 391 9.034 7.334 -2.600 1.00 0.98 O ATOM 462 CG2 THR A 391 11.300 7.622 -1.809 1.00 0.88 C ATOM 0 H THR A 391 10.457 5.224 -2.788 1.00 0.57 H new ATOM 0 HA THR A 391 10.542 5.719 -0.058 1.00 0.54 H new ATOM 0 HB THR A 391 9.513 7.920 -0.677 1.00 0.71 H new ATOM 0 HG1 THR A 391 8.211 6.823 -2.451 1.00 0.98 H new ATOM 0 HG21 THR A 391 11.311 8.636 -2.208 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.929 7.575 -0.920 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.683 6.933 -2.561 1.00 0.88 H new ATOM 470 N VAL A 392 8.368 5.171 0.941 1.00 0.37 N ATOM 471 CA VAL A 392 7.103 4.882 1.606 1.00 0.33 C ATOM 472 C VAL A 392 6.295 6.161 1.820 1.00 0.32 C ATOM 473 O VAL A 392 6.855 7.211 2.142 1.00 0.41 O ATOM 474 CB VAL A 392 7.335 4.200 2.968 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.010 3.881 3.640 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.175 2.944 2.799 1.00 0.52 C ATOM 0 H VAL A 392 9.187 5.075 1.541 1.00 0.37 H new ATOM 0 HA VAL A 392 6.545 4.206 0.958 1.00 0.33 H new ATOM 0 HB VAL A 392 7.882 4.890 3.611 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.196 3.400 4.600 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.451 4.803 3.798 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.432 3.211 3.004 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.329 2.476 3.771 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.659 2.247 2.138 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.140 3.207 2.366 1.00 0.52 H new ATOM 486 N HIS A 393 4.980 6.068 1.645 1.00 0.29 N ATOM 487 CA HIS A 393 4.093 7.216 1.823 1.00 0.31 C ATOM 488 C HIS A 393 2.721 6.769 2.318 1.00 0.27 C ATOM 489 O HIS A 393 2.154 5.803 1.810 1.00 0.26 O ATOM 490 CB HIS A 393 3.941 7.990 0.510 1.00 0.37 C ATOM 491 CG HIS A 393 5.200 8.665 0.058 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.845 9.629 0.804 1.00 1.92 N ATOM 493 CD2 HIS A 393 5.932 8.513 -1.071 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.919 10.040 0.153 1.00 2.43 C ATOM 495 NE2 HIS A 393 6.995 9.379 -0.986 1.00 1.82 N ATOM 0 H HIS A 393 4.503 5.207 1.379 1.00 0.29 H new ATOM 0 HA HIS A 393 4.541 7.871 2.571 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.607 7.304 -0.269 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.160 8.741 0.630 1.00 0.37 H new ATOM 0 HD2 HIS A 393 5.720 7.837 -1.886 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.616 10.790 0.496 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.725 9.492 -1.690 1.00 1.82 H new ATOM 504 N ARG A 394 2.196 7.477 3.318 1.00 0.29 N ATOM 505 CA ARG A 394 0.893 7.150 3.890 1.00 0.28 C ATOM 506 C ARG A 394 -0.189 7.089 2.817 1.00 0.26 C ATOM 507 O ARG A 394 -0.089 7.741 1.778 1.00 0.32 O ATOM 508 CB ARG A 394 0.499 8.164 4.962 1.00 0.35 C ATOM 509 CG ARG A 394 1.466 8.229 6.133 1.00 0.42 C ATOM 510 CD ARG A 394 1.038 9.278 7.147 1.00 0.52 C ATOM 511 NE ARG A 394 1.094 10.628 6.595 1.00 1.34 N ATOM 512 CZ ARG A 394 0.762 11.721 7.278 1.00 2.01 C ATOM 513 NH1 ARG A 394 0.351 11.622 8.535 1.00 2.41 N ATOM 514 NH2 ARG A 394 0.844 12.913 6.704 1.00 2.96 N ATOM 0 H ARG A 394 2.654 8.281 3.748 1.00 0.29 H new ATOM 0 HA ARG A 394 0.980 6.164 4.347 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.429 9.152 4.506 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.494 7.915 5.337 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.520 7.254 6.617 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.467 8.460 5.768 1.00 0.42 H new ATOM 0 HD2 ARG A 394 0.023 9.065 7.482 1.00 0.52 H new ATOM 0 HD3 ARG A 394 1.682 9.218 8.024 1.00 0.52 H new ATOM 0 HE ARG A 394 1.406 10.740 5.630 1.00 1.34 H new ATOM 0 HH11 ARG A 394 0.289 10.707 8.981 1.00 2.41 H new ATOM 0 HH12 ARG A 394 0.097 12.461 9.056 1.00 2.41 H new ATOM 0 HH21 ARG A 394 1.162 12.993 5.738 1.00 2.96 H new ATOM 0 HH22 ARG A 394 0.589 13.750 7.228 1.00 2.96 H new ATOM 528 N GLY A 395 -1.221 6.296 3.085 1.00 0.23 N ATOM 529 CA GLY A 395 -2.318 6.145 2.147 1.00 0.25 C ATOM 530 C GLY A 395 -3.498 5.419 2.762 1.00 0.23 C ATOM 531 O GLY A 395 -3.326 4.415 3.455 1.00 0.26 O ATOM 0 H GLY A 395 -1.317 5.751 3.942 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.638 7.128 1.802 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -1.972 5.597 1.271 1.00 0.25 H new ATOM 535 N GLN A 396 -4.698 5.933 2.520 1.00 0.29 N ATOM 536 CA GLN A 396 -5.910 5.332 3.064 1.00 0.34 C ATOM 537 C GLN A 396 -6.454 4.236 2.154 1.00 0.35 C ATOM 538 O GLN A 396 -6.980 4.518 1.076 1.00 0.46 O ATOM 539 CB GLN A 396 -6.986 6.400 3.270 1.00 0.43 C ATOM 540 CG GLN A 396 -6.617 7.448 4.306 1.00 0.50 C ATOM 541 CD GLN A 396 -7.720 8.458 4.533 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.226 9.073 3.595 1.00 1.28 O ATOM 543 NE2 GLN A 396 -8.081 8.641 5.792 1.00 0.61 N ATOM 0 H GLN A 396 -4.858 6.764 1.951 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.648 4.883 4.022 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.180 6.895 2.319 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.914 5.914 3.572 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -6.383 6.954 5.249 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.714 7.968 3.985 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -7.631 8.106 6.535 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.810 9.317 6.020 1.00 0.61 H new ATOM 552 N VAL A 397 -6.361 2.987 2.604 1.00 0.33 N ATOM 553 CA VAL A 397 -6.885 1.866 1.833 1.00 0.33 C ATOM 554 C VAL A 397 -8.398 1.819 2.003 1.00 0.33 C ATOM 555 O VAL A 397 -8.897 1.869 3.126 1.00 0.37 O ATOM 556 CB VAL A 397 -6.269 0.525 2.276 1.00 0.38 C ATOM 557 CG1 VAL A 397 -6.604 -0.574 1.279 1.00 0.73 C ATOM 558 CG2 VAL A 397 -4.766 0.663 2.457 1.00 0.83 C ATOM 0 H VAL A 397 -5.931 2.728 3.492 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.621 2.015 0.786 1.00 0.33 H new ATOM 0 HB VAL A 397 -6.699 0.246 3.238 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.160 -1.513 1.610 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.686 -0.688 1.213 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.206 -0.310 0.299 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.348 -0.294 2.770 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.312 0.966 1.513 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.559 1.416 3.218 1.00 0.83 H new ATOM 568 N LEU A 398 -9.129 1.773 0.896 1.00 0.36 N ATOM 569 CA LEU A 398 -10.586 1.776 0.962 1.00 0.40 C ATOM 570 C LEU A 398 -11.216 0.542 0.316 1.00 0.41 C ATOM 571 O LEU A 398 -12.221 0.028 0.806 1.00 0.47 O ATOM 572 CB LEU A 398 -11.121 3.046 0.299 1.00 0.46 C ATOM 573 CG LEU A 398 -10.538 4.351 0.849 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.025 5.544 0.041 1.00 1.16 C ATOM 575 CD2 LEU A 398 -10.902 4.517 2.316 1.00 1.45 C ATOM 0 H LEU A 398 -8.743 1.734 -0.048 1.00 0.36 H new ATOM 0 HA LEU A 398 -10.863 1.751 2.016 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -10.916 2.995 -0.770 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.205 3.071 0.415 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.452 4.303 0.763 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.598 6.459 0.450 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.714 5.431 -0.998 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.113 5.597 0.090 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.480 5.449 2.692 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -11.987 4.541 2.421 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.500 3.680 2.887 1.00 1.45 H new ATOM 587 N GLN A 399 -10.646 0.086 -0.795 1.00 0.39 N ATOM 588 CA GLN A 399 -11.192 -1.070 -1.503 1.00 0.43 C ATOM 589 C GLN A 399 -10.106 -2.066 -1.896 1.00 0.38 C ATOM 590 O GLN A 399 -8.919 -1.833 -1.670 1.00 0.35 O ATOM 591 CB GLN A 399 -11.949 -0.607 -2.750 1.00 0.49 C ATOM 592 CG GLN A 399 -13.144 0.280 -2.439 1.00 0.60 C ATOM 593 CD GLN A 399 -13.868 0.766 -3.685 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.885 1.453 -3.592 1.00 2.08 O ATOM 595 NE2 GLN A 399 -13.347 0.418 -4.857 1.00 2.04 N ATOM 0 H GLN A 399 -9.814 0.493 -1.222 1.00 0.39 H new ATOM 0 HA GLN A 399 -11.875 -1.579 -0.823 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.263 -0.065 -3.401 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.290 -1.482 -3.304 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.844 -0.271 -1.811 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -12.809 1.142 -1.862 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -12.502 -0.153 -4.890 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -13.792 0.722 -5.723 1.00 2.04 H new ATOM 604 N SER A 400 -10.532 -3.182 -2.482 1.00 0.42 N ATOM 605 CA SER A 400 -9.615 -4.232 -2.914 1.00 0.41 C ATOM 606 C SER A 400 -10.301 -5.156 -3.920 1.00 0.47 C ATOM 607 O SER A 400 -11.513 -5.360 -3.856 1.00 0.54 O ATOM 608 CB SER A 400 -9.118 -5.036 -1.714 1.00 0.47 C ATOM 609 OG SER A 400 -10.190 -5.697 -1.061 1.00 0.56 O ATOM 0 H SER A 400 -11.514 -3.383 -2.669 1.00 0.42 H new ATOM 0 HA SER A 400 -8.758 -3.763 -3.397 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.382 -5.769 -2.044 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.614 -4.372 -1.011 1.00 0.47 H new ATOM 0 HG SER A 400 -9.844 -6.206 -0.298 1.00 0.56 H new ATOM 615 N ARG A 401 -9.526 -5.699 -4.859 1.00 0.51 N ATOM 616 CA ARG A 401 -10.082 -6.582 -5.883 1.00 0.60 C ATOM 617 C ARG A 401 -8.995 -7.426 -6.546 1.00 0.73 C ATOM 618 O ARG A 401 -7.911 -6.931 -6.855 1.00 0.86 O ATOM 619 CB ARG A 401 -10.783 -5.750 -6.961 1.00 0.65 C ATOM 620 CG ARG A 401 -9.809 -4.978 -7.840 1.00 0.72 C ATOM 621 CD ARG A 401 -10.518 -4.146 -8.896 1.00 0.91 C ATOM 622 NE ARG A 401 -9.562 -3.503 -9.794 1.00 1.02 N ATOM 623 CZ ARG A 401 -9.904 -2.695 -10.792 1.00 1.25 C ATOM 624 NH1 ARG A 401 -11.180 -2.414 -11.021 1.00 1.55 N ATOM 625 NH2 ARG A 401 -8.963 -2.166 -11.562 1.00 1.43 N ATOM 0 H ARG A 401 -8.520 -5.545 -4.932 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.792 -7.248 -5.393 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.386 -6.409 -7.587 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.468 -5.049 -6.484 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -9.199 -4.325 -7.216 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -9.130 -5.678 -8.328 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -11.191 -4.782 -9.472 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -11.133 -3.387 -8.412 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.570 -3.686 -9.646 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -11.906 -2.819 -10.429 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -11.436 -1.793 -11.789 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -7.981 -2.380 -11.387 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -9.221 -1.545 -12.329 1.00 1.43 H new ATOM 639 N THR A 402 -9.303 -8.695 -6.790 1.00 0.82 N ATOM 640 CA THR A 402 -8.364 -9.590 -7.450 1.00 0.99 C ATOM 641 C THR A 402 -8.272 -9.243 -8.937 1.00 1.16 C ATOM 642 O THR A 402 -8.013 -8.093 -9.292 1.00 1.79 O ATOM 643 CB THR A 402 -8.775 -11.065 -7.270 1.00 1.14 C ATOM 644 OG1 THR A 402 -10.098 -11.276 -7.774 1.00 1.38 O ATOM 645 CG2 THR A 402 -8.711 -11.465 -5.804 1.00 1.29 C ATOM 0 H THR A 402 -10.194 -9.125 -6.541 1.00 0.82 H new ATOM 0 HA THR A 402 -7.386 -9.458 -6.988 1.00 0.99 H new ATOM 0 HB THR A 402 -8.076 -11.685 -7.832 1.00 1.14 H new ATOM 0 HG1 THR A 402 -10.469 -12.095 -7.385 1.00 1.38 H new ATOM 0 HG21 THR A 402 -9.005 -12.509 -5.699 1.00 1.29 H new ATOM 0 HG22 THR A 402 -7.693 -11.335 -5.436 1.00 1.29 H new ATOM 0 HG23 THR A 402 -9.389 -10.837 -5.226 1.00 1.29 H new ATOM 653 N THR A 403 -8.497 -10.227 -9.806 1.00 1.43 N ATOM 654 CA THR A 403 -8.445 -10.003 -11.247 1.00 1.62 C ATOM 655 C THR A 403 -9.113 -11.169 -11.976 1.00 1.84 C ATOM 656 O THR A 403 -9.704 -12.042 -11.339 1.00 1.85 O ATOM 657 CB THR A 403 -6.993 -9.839 -11.751 1.00 1.77 C ATOM 658 OG1 THR A 403 -6.199 -9.172 -10.763 1.00 1.78 O ATOM 659 CG2 THR A 403 -6.955 -9.028 -13.039 1.00 1.95 C ATOM 0 H THR A 403 -8.717 -11.186 -9.536 1.00 1.43 H new ATOM 0 HA THR A 403 -8.979 -9.076 -11.458 1.00 1.62 H new ATOM 0 HB THR A 403 -6.591 -10.834 -11.941 1.00 1.77 H new ATOM 0 HG1 THR A 403 -6.722 -8.450 -10.356 1.00 1.78 H new ATOM 0 HG21 THR A 403 -5.923 -8.926 -13.374 1.00 1.95 H new ATOM 0 HG22 THR A 403 -7.537 -9.537 -13.807 1.00 1.95 H new ATOM 0 HG23 THR A 403 -7.378 -8.039 -12.859 1.00 1.95 H new ATOM 667 N GLU A 404 -9.029 -11.177 -13.304 1.00 2.08 N ATOM 668 CA GLU A 404 -9.637 -12.234 -14.108 1.00 2.34 C ATOM 669 C GLU A 404 -9.328 -13.615 -13.533 1.00 2.30 C ATOM 670 O GLU A 404 -10.209 -14.472 -13.448 1.00 2.37 O ATOM 671 CB GLU A 404 -9.145 -12.149 -15.553 1.00 2.72 C ATOM 672 CG GLU A 404 -9.471 -10.827 -16.229 1.00 2.91 C ATOM 673 CD GLU A 404 -8.980 -10.766 -17.661 1.00 3.42 C ATOM 674 OE1 GLU A 404 -7.755 -10.892 -17.875 1.00 3.79 O ATOM 675 OE2 GLU A 404 -9.818 -10.591 -18.570 1.00 3.87 O ATOM 0 H GLU A 404 -8.545 -10.462 -13.847 1.00 2.08 H new ATOM 0 HA GLU A 404 -10.717 -12.091 -14.087 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -8.066 -12.300 -15.570 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -9.590 -12.961 -16.128 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -10.550 -10.671 -16.212 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -9.022 -10.012 -15.660 1.00 2.91 H new ATOM 682 N ASN A 405 -8.076 -13.826 -13.138 1.00 2.26 N ATOM 683 CA ASN A 405 -7.663 -15.105 -12.569 1.00 2.30 C ATOM 684 C ASN A 405 -8.320 -15.331 -11.210 1.00 2.07 C ATOM 685 O ASN A 405 -8.945 -16.365 -10.976 1.00 2.40 O ATOM 686 CB ASN A 405 -6.141 -15.159 -12.433 1.00 2.43 C ATOM 687 CG ASN A 405 -5.658 -16.483 -11.875 1.00 2.67 C ATOM 688 OD1 ASN A 405 -5.901 -17.541 -12.455 1.00 3.16 O ATOM 689 ND2 ASN A 405 -4.967 -16.430 -10.741 1.00 2.73 N ATOM 0 H ASN A 405 -7.332 -13.131 -13.201 1.00 2.26 H new ATOM 0 HA ASN A 405 -7.986 -15.898 -13.244 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -5.685 -14.991 -13.409 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -5.808 -14.350 -11.782 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -4.615 -17.289 -10.318 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -4.789 -15.531 -10.294 1.00 2.73 H new ATOM 696 N ALA A 406 -8.175 -14.350 -10.321 1.00 1.82 N ATOM 697 CA ALA A 406 -8.755 -14.426 -8.983 1.00 1.67 C ATOM 698 C ALA A 406 -8.336 -15.703 -8.259 1.00 1.85 C ATOM 699 O ALA A 406 -9.176 -16.467 -7.781 1.00 2.18 O ATOM 700 CB ALA A 406 -10.269 -14.319 -9.054 1.00 1.72 C ATOM 0 H ALA A 406 -7.658 -13.490 -10.505 1.00 1.82 H new ATOM 0 HA ALA A 406 -8.372 -13.584 -8.407 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -10.685 -14.377 -8.048 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -10.546 -13.367 -9.507 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -10.664 -15.136 -9.658 1.00 1.72 H new ATOM 706 N ALA A 407 -7.030 -15.919 -8.179 1.00 1.91 N ATOM 707 CA ALA A 407 -6.472 -17.089 -7.512 1.00 2.19 C ATOM 708 C ALA A 407 -5.120 -16.742 -6.912 1.00 2.37 C ATOM 709 O ALA A 407 -4.368 -17.613 -6.472 1.00 2.77 O ATOM 710 CB ALA A 407 -6.340 -18.243 -8.491 1.00 2.38 C ATOM 0 H ALA A 407 -6.329 -15.291 -8.573 1.00 1.91 H new ATOM 0 HA ALA A 407 -7.145 -17.396 -6.711 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -5.922 -19.109 -7.978 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -7.322 -18.496 -8.889 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -5.681 -17.953 -9.309 1.00 2.38 H new ATOM 716 N ALA A 408 -4.831 -15.447 -6.912 1.00 2.15 N ATOM 717 CA ALA A 408 -3.583 -14.910 -6.389 1.00 2.35 C ATOM 718 C ALA A 408 -3.569 -13.387 -6.525 1.00 2.05 C ATOM 719 O ALA A 408 -3.246 -12.679 -5.571 1.00 1.99 O ATOM 720 CB ALA A 408 -2.386 -15.524 -7.105 1.00 2.76 C ATOM 0 H ALA A 408 -5.462 -14.734 -7.278 1.00 2.15 H new ATOM 0 HA ALA A 408 -3.511 -15.168 -5.332 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -1.465 -15.107 -6.697 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -2.391 -16.604 -6.961 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -2.445 -15.300 -8.170 1.00 2.76 H new ATOM 726 N PRO A 409 -3.927 -12.856 -7.716 1.00 1.99 N ATOM 727 CA PRO A 409 -3.957 -11.410 -7.957 1.00 1.80 C ATOM 728 C PRO A 409 -4.871 -10.676 -6.990 1.00 1.41 C ATOM 729 O PRO A 409 -5.894 -11.205 -6.564 1.00 1.86 O ATOM 730 CB PRO A 409 -4.490 -11.284 -9.388 1.00 2.10 C ATOM 731 CG PRO A 409 -4.205 -12.600 -10.019 1.00 2.49 C ATOM 732 CD PRO A 409 -4.330 -13.611 -8.919 1.00 2.27 C ATOM 0 HA PRO A 409 -2.973 -10.964 -7.816 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -5.558 -11.066 -9.394 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -3.996 -10.474 -9.924 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -4.909 -12.809 -10.825 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -3.206 -12.617 -10.455 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -5.349 -13.989 -8.834 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -3.684 -14.472 -9.089 1.00 2.27 H new ATOM 740 N ASP A 410 -4.489 -9.449 -6.651 1.00 0.92 N ATOM 741 CA ASP A 410 -5.266 -8.623 -5.738 1.00 0.79 C ATOM 742 C ASP A 410 -4.667 -7.223 -5.640 1.00 0.68 C ATOM 743 O ASP A 410 -3.449 -7.059 -5.579 1.00 0.93 O ATOM 744 CB ASP A 410 -5.341 -9.277 -4.353 1.00 1.18 C ATOM 745 CG ASP A 410 -3.973 -9.546 -3.756 1.00 1.62 C ATOM 746 OD1 ASP A 410 -3.234 -8.571 -3.504 1.00 2.14 O ATOM 747 OD2 ASP A 410 -3.639 -10.730 -3.540 1.00 1.99 O ATOM 0 H ASP A 410 -3.640 -9.004 -6.999 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.279 -8.535 -6.131 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -5.905 -8.630 -3.681 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -5.891 -10.215 -4.428 1.00 1.18 H new ATOM 752 N GLU A 411 -5.535 -6.216 -5.636 1.00 0.54 N ATOM 753 CA GLU A 411 -5.100 -4.827 -5.555 1.00 0.45 C ATOM 754 C GLU A 411 -5.983 -4.051 -4.590 1.00 0.40 C ATOM 755 O GLU A 411 -7.205 -4.170 -4.626 1.00 0.42 O ATOM 756 CB GLU A 411 -5.149 -4.172 -6.935 1.00 0.49 C ATOM 757 CG GLU A 411 -4.246 -4.838 -7.959 1.00 0.58 C ATOM 758 CD GLU A 411 -4.307 -4.166 -9.318 1.00 1.47 C ATOM 759 OE1 GLU A 411 -5.064 -3.183 -9.460 1.00 2.10 O ATOM 760 OE2 GLU A 411 -3.597 -4.621 -10.240 1.00 2.08 O ATOM 0 H GLU A 411 -6.546 -6.337 -5.688 1.00 0.54 H new ATOM 0 HA GLU A 411 -4.073 -4.811 -5.190 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.176 -4.192 -7.301 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.865 -3.124 -6.840 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.218 -4.822 -7.596 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -4.531 -5.885 -8.063 1.00 0.58 H new ATOM 767 N TYR A 412 -5.361 -3.263 -3.723 1.00 0.38 N ATOM 768 CA TYR A 412 -6.105 -2.483 -2.745 1.00 0.35 C ATOM 769 C TYR A 412 -6.052 -0.993 -3.062 1.00 0.33 C ATOM 770 O TYR A 412 -4.973 -0.412 -3.189 1.00 0.34 O ATOM 771 CB TYR A 412 -5.561 -2.732 -1.334 1.00 0.39 C ATOM 772 CG TYR A 412 -5.650 -4.174 -0.876 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.082 -5.196 -1.628 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.310 -4.516 0.298 1.00 0.53 C ATOM 775 CE1 TYR A 412 -5.167 -6.513 -1.221 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.398 -5.830 0.713 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.802 -6.817 -0.021 1.00 0.62 C ATOM 778 OH TYR A 412 -5.913 -8.134 0.358 1.00 0.72 O ATOM 0 H TYR A 412 -4.349 -3.148 -3.677 1.00 0.38 H new ATOM 0 HA TYR A 412 -7.145 -2.805 -2.792 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.519 -2.415 -1.298 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -6.109 -2.105 -0.630 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.566 -4.956 -2.546 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.763 -3.740 0.897 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.744 -7.300 -1.829 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -6.937 -6.077 1.616 1.00 0.61 H new ATOM 0 HH TYR A 412 -6.660 -8.550 -0.121 1.00 0.72 H new ATOM 788 N TYR A 413 -7.226 -0.377 -3.163 1.00 0.33 N ATOM 789 CA TYR A 413 -7.323 1.048 -3.437 1.00 0.32 C ATOM 790 C TYR A 413 -6.612 1.826 -2.340 1.00 0.32 C ATOM 791 O TYR A 413 -6.592 1.397 -1.187 1.00 0.40 O ATOM 792 CB TYR A 413 -8.791 1.475 -3.512 1.00 0.36 C ATOM 793 CG TYR A 413 -8.994 2.926 -3.901 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.244 3.509 -4.916 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.938 3.711 -3.251 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.429 4.832 -5.271 1.00 0.44 C ATOM 797 CE2 TYR A 413 -10.129 5.034 -3.601 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.372 5.590 -4.611 1.00 0.46 C ATOM 799 OH TYR A 413 -9.560 6.907 -4.961 1.00 0.51 O ATOM 0 H TYR A 413 -8.125 -0.847 -3.058 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.849 1.259 -4.396 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.306 0.841 -4.234 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.259 1.301 -2.543 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.504 2.918 -5.436 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.532 3.280 -2.459 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.838 5.270 -6.062 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.868 5.630 -3.086 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.262 7.298 -4.400 1.00 0.51 H new ATOM 809 N VAL A 414 -6.019 2.959 -2.694 1.00 0.33 N ATOM 810 CA VAL A 414 -5.306 3.761 -1.713 1.00 0.33 C ATOM 811 C VAL A 414 -5.263 5.232 -2.100 1.00 0.29 C ATOM 812 O VAL A 414 -4.976 5.583 -3.245 1.00 0.38 O ATOM 813 CB VAL A 414 -3.867 3.248 -1.514 1.00 0.39 C ATOM 814 CG1 VAL A 414 -3.099 3.272 -2.828 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.150 4.069 -0.455 1.00 1.15 C ATOM 0 H VAL A 414 -6.018 3.338 -3.641 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.858 3.665 -0.778 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.916 2.215 -1.170 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -2.086 2.906 -2.664 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.602 2.634 -3.555 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.059 4.293 -3.207 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.135 3.692 -0.328 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.113 5.113 -0.767 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.687 3.992 0.491 1.00 1.15 H new ATOM 825 N HIS A 415 -5.542 6.087 -1.124 1.00 0.33 N ATOM 826 CA HIS A 415 -5.530 7.527 -1.329 1.00 0.32 C ATOM 827 C HIS A 415 -4.511 8.175 -0.399 1.00 0.32 C ATOM 828 O HIS A 415 -4.772 8.346 0.791 1.00 0.34 O ATOM 829 CB HIS A 415 -6.922 8.107 -1.068 1.00 0.37 C ATOM 830 CG HIS A 415 -7.005 9.584 -1.282 1.00 0.44 C ATOM 831 ND1 HIS A 415 -6.694 10.191 -2.481 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.372 10.580 -0.442 1.00 0.54 C ATOM 833 CE1 HIS A 415 -6.863 11.496 -2.367 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.275 11.757 -1.141 1.00 0.62 N ATOM 0 H HIS A 415 -5.781 5.803 -0.174 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.251 7.735 -2.362 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.641 7.613 -1.722 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.215 7.880 -0.043 1.00 0.37 H new ATOM 0 HD2 HIS A 415 -7.683 10.469 0.586 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -6.693 12.225 -3.145 1.00 0.60 H new ATOM 0 HE2 HIS A 415 -7.487 12.684 -0.772 1.00 0.62 H new ATOM 843 N TYR A 416 -3.346 8.526 -0.940 1.00 0.37 N ATOM 844 CA TYR A 416 -2.299 9.141 -0.141 1.00 0.40 C ATOM 845 C TYR A 416 -2.788 10.446 0.474 1.00 0.45 C ATOM 846 O TYR A 416 -3.340 11.303 -0.217 1.00 0.57 O ATOM 847 CB TYR A 416 -1.054 9.389 -0.989 1.00 0.46 C ATOM 848 CG TYR A 416 -0.550 8.155 -1.705 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.090 7.767 -2.926 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.474 7.385 -1.168 1.00 0.51 C ATOM 851 CE1 TYR A 416 -0.627 6.644 -3.587 1.00 0.59 C ATOM 852 CE2 TYR A 416 0.944 6.263 -1.824 1.00 0.54 C ATOM 853 CZ TYR A 416 0.390 5.897 -3.032 1.00 0.57 C ATOM 854 OH TYR A 416 0.853 4.780 -3.688 1.00 0.65 O ATOM 0 H TYR A 416 -3.108 8.394 -1.923 1.00 0.37 H new ATOM 0 HA TYR A 416 -2.039 8.455 0.666 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.275 10.161 -1.726 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.261 9.777 -0.350 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -1.884 8.352 -3.366 1.00 0.53 H new ATOM 0 HD2 TYR A 416 0.910 7.668 -0.222 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.060 6.354 -4.533 1.00 0.59 H new ATOM 0 HE2 TYR A 416 1.741 5.676 -1.392 1.00 0.54 H new ATOM 0 HH TYR A 416 1.571 4.367 -3.164 1.00 0.65 H new ATOM 864 N VAL A 417 -2.593 10.580 1.780 1.00 0.45 N ATOM 865 CA VAL A 417 -3.023 11.769 2.504 1.00 0.55 C ATOM 866 C VAL A 417 -2.035 12.912 2.317 1.00 0.66 C ATOM 867 O VAL A 417 -1.768 13.678 3.244 1.00 1.34 O ATOM 868 CB VAL A 417 -3.171 11.467 4.003 1.00 0.68 C ATOM 869 CG1 VAL A 417 -4.047 12.510 4.684 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.728 10.071 4.188 1.00 1.01 C ATOM 0 H VAL A 417 -2.138 9.876 2.361 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.990 12.068 2.098 1.00 0.55 H new ATOM 0 HB VAL A 417 -2.189 11.514 4.474 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -4.136 12.274 5.744 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -3.596 13.496 4.568 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -5.037 12.508 4.227 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.832 9.859 5.252 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.704 10.002 3.707 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.050 9.346 3.738 1.00 1.01 H new ATOM 880 N GLY A 418 -1.492 13.019 1.115 1.00 0.71 N ATOM 881 CA GLY A 418 -0.533 14.075 0.836 1.00 0.82 C ATOM 882 C GLY A 418 -0.085 14.130 -0.613 1.00 0.72 C ATOM 883 O GLY A 418 0.158 15.215 -1.144 1.00 0.76 O ATOM 0 H GLY A 418 -1.694 12.400 0.330 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -0.974 15.034 1.107 1.00 0.82 H new ATOM 0 HA3 GLY A 418 0.341 13.936 1.472 1.00 0.82 H new ATOM 887 N LEU A 419 0.053 12.972 -1.251 1.00 0.66 N ATOM 888 CA LEU A 419 0.506 12.924 -2.640 1.00 0.60 C ATOM 889 C LEU A 419 -0.460 13.621 -3.593 1.00 0.59 C ATOM 890 O LEU A 419 -1.369 14.341 -3.181 1.00 0.76 O ATOM 891 CB LEU A 419 0.713 11.482 -3.110 1.00 0.58 C ATOM 892 CG LEU A 419 1.768 10.669 -2.360 1.00 0.78 C ATOM 893 CD1 LEU A 419 2.181 9.462 -3.190 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.978 11.523 -2.018 1.00 1.40 C ATOM 0 H LEU A 419 -0.140 12.061 -0.835 1.00 0.66 H new ATOM 0 HA LEU A 419 1.457 13.456 -2.662 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.240 10.958 -3.035 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.983 11.502 -4.166 1.00 0.58 H new ATOM 0 HG LEU A 419 1.332 10.322 -1.423 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.933 8.888 -2.648 1.00 1.60 H new ATOM 0 HD12 LEU A 419 1.310 8.834 -3.377 1.00 1.60 H new ATOM 0 HD13 LEU A 419 2.596 9.799 -4.140 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.711 10.918 -1.485 1.00 1.40 H new ATOM 0 HD22 LEU A 419 3.423 11.908 -2.936 1.00 1.40 H new ATOM 0 HD23 LEU A 419 2.669 12.357 -1.388 1.00 1.40 H new ATOM 906 N ASN A 420 -0.231 13.386 -4.881 1.00 0.61 N ATOM 907 CA ASN A 420 -1.035 13.961 -5.950 1.00 0.63 C ATOM 908 C ASN A 420 -2.321 13.166 -6.156 1.00 0.56 C ATOM 909 O ASN A 420 -2.354 11.955 -5.930 1.00 0.56 O ATOM 910 CB ASN A 420 -0.215 13.963 -7.240 1.00 0.75 C ATOM 911 CG ASN A 420 -0.763 14.906 -8.286 1.00 1.57 C ATOM 912 OD1 ASN A 420 -1.931 14.830 -8.665 1.00 2.53 O ATOM 913 ND2 ASN A 420 0.093 15.798 -8.765 1.00 1.98 N ATOM 0 H ASN A 420 0.524 12.786 -5.213 1.00 0.61 H new ATOM 0 HA ASN A 420 -1.309 14.980 -5.677 1.00 0.63 H new ATOM 0 HB2 ASN A 420 0.813 14.242 -7.010 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -0.187 12.953 -7.648 1.00 0.75 H new ATOM 0 HD21 ASN A 420 -0.208 16.461 -9.480 1.00 1.98 H new ATOM 0 HD22 ASN A 420 1.052 15.822 -8.419 1.00 1.98 H new ATOM 920 N ARG A 421 -3.376 13.847 -6.595 1.00 0.62 N ATOM 921 CA ARG A 421 -4.660 13.196 -6.840 1.00 0.67 C ATOM 922 C ARG A 421 -4.517 12.092 -7.886 1.00 0.66 C ATOM 923 O ARG A 421 -5.099 11.016 -7.753 1.00 0.69 O ATOM 924 CB ARG A 421 -5.694 14.221 -7.312 1.00 0.87 C ATOM 925 CG ARG A 421 -5.972 15.322 -6.301 1.00 1.09 C ATOM 926 CD ARG A 421 -6.972 16.332 -6.843 1.00 1.51 C ATOM 927 NE ARG A 421 -8.245 15.707 -7.198 1.00 2.25 N ATOM 928 CZ ARG A 421 -9.279 16.373 -7.704 1.00 3.00 C ATOM 929 NH1 ARG A 421 -9.194 17.679 -7.916 1.00 3.28 N ATOM 930 NH2 ARG A 421 -10.401 15.731 -8.002 1.00 3.98 N ATOM 0 H ARG A 421 -3.367 14.848 -6.788 1.00 0.62 H new ATOM 0 HA ARG A 421 -4.997 12.751 -5.904 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -5.346 14.673 -8.241 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.627 13.705 -7.539 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.357 14.884 -5.380 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -5.041 15.829 -6.048 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -7.145 17.107 -6.097 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -6.552 16.823 -7.721 1.00 1.51 H new ATOM 0 HE ARG A 421 -8.346 14.703 -7.049 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -8.333 18.177 -7.691 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -9.990 18.185 -8.304 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -10.471 14.726 -7.843 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -11.194 16.242 -8.390 1.00 3.98 H new ATOM 944 N ARG A 422 -3.734 12.370 -8.926 1.00 0.71 N ATOM 945 CA ARG A 422 -3.507 11.405 -9.998 1.00 0.83 C ATOM 946 C ARG A 422 -2.674 10.227 -9.501 1.00 0.72 C ATOM 947 O ARG A 422 -2.871 9.089 -9.928 1.00 0.77 O ATOM 948 CB ARG A 422 -2.806 12.079 -11.182 1.00 1.01 C ATOM 949 CG ARG A 422 -1.442 12.653 -10.836 1.00 1.19 C ATOM 950 CD ARG A 422 -0.796 13.325 -12.037 1.00 1.49 C ATOM 951 NE ARG A 422 -0.610 12.396 -13.149 1.00 2.09 N ATOM 952 CZ ARG A 422 -0.046 12.735 -14.306 1.00 2.79 C ATOM 953 NH1 ARG A 422 0.389 13.972 -14.501 1.00 3.07 N ATOM 954 NH2 ARG A 422 0.084 11.832 -15.268 1.00 3.71 N ATOM 0 H ARG A 422 -3.246 13.257 -9.049 1.00 0.71 H new ATOM 0 HA ARG A 422 -4.476 11.029 -10.326 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -2.692 11.353 -11.987 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -3.442 12.879 -11.562 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -1.545 13.375 -10.026 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -0.793 11.856 -10.472 1.00 1.19 H new ATOM 0 HD2 ARG A 422 -1.416 14.160 -12.362 1.00 1.49 H new ATOM 0 HD3 ARG A 422 0.169 13.739 -11.745 1.00 1.49 H new ATOM 0 HE ARG A 422 -0.930 11.435 -13.032 1.00 2.09 H new ATOM 0 HH11 ARG A 422 0.292 14.669 -13.763 1.00 3.07 H new ATOM 0 HH12 ARG A 422 0.821 14.227 -15.389 1.00 3.07 H new ATOM 0 HH21 ARG A 422 -0.248 10.879 -15.121 1.00 3.71 H new ATOM 0 HH22 ARG A 422 0.516 12.090 -16.155 1.00 3.71 H new ATOM 968 N LEU A 423 -1.744 10.515 -8.596 1.00 0.65 N ATOM 969 CA LEU A 423 -0.874 9.505 -8.027 1.00 0.62 C ATOM 970 C LEU A 423 -1.681 8.382 -7.380 1.00 0.52 C ATOM 971 O LEU A 423 -1.285 7.217 -7.420 1.00 0.53 O ATOM 972 CB LEU A 423 0.047 10.168 -7.006 1.00 0.69 C ATOM 973 CG LEU A 423 1.514 10.302 -7.428 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.624 10.891 -8.824 1.00 1.31 C ATOM 975 CD2 LEU A 423 2.271 11.171 -6.439 1.00 1.49 C ATOM 0 H LEU A 423 -1.576 11.456 -8.240 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.278 9.056 -8.821 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.341 11.162 -6.785 1.00 0.69 H new ATOM 0 HB3 LEU A 423 0.005 9.596 -6.079 1.00 0.69 H new ATOM 0 HG LEU A 423 1.955 9.305 -7.437 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.675 10.976 -9.101 1.00 1.31 H new ATOM 0 HD12 LEU A 423 1.113 10.241 -9.534 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.163 11.879 -8.839 1.00 1.31 H new ATOM 0 HD21 LEU A 423 3.312 11.257 -6.752 1.00 1.49 H new ATOM 0 HD22 LEU A 423 1.819 12.162 -6.406 1.00 1.49 H new ATOM 0 HD23 LEU A 423 2.226 10.718 -5.448 1.00 1.49 H new ATOM 987 N ASP A 424 -2.815 8.743 -6.790 1.00 0.49 N ATOM 988 CA ASP A 424 -3.683 7.768 -6.138 1.00 0.50 C ATOM 989 C ASP A 424 -4.140 6.702 -7.130 1.00 0.45 C ATOM 990 O ASP A 424 -4.491 7.011 -8.269 1.00 0.49 O ATOM 991 CB ASP A 424 -4.901 8.472 -5.536 1.00 0.66 C ATOM 992 CG ASP A 424 -4.512 9.575 -4.571 1.00 0.81 C ATOM 993 OD1 ASP A 424 -3.829 9.274 -3.571 1.00 0.97 O ATOM 994 OD2 ASP A 424 -4.891 10.739 -4.816 1.00 1.20 O ATOM 0 H ASP A 424 -3.155 9.704 -6.749 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.117 7.282 -5.343 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.508 8.892 -6.338 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -5.520 7.741 -5.017 1.00 0.66 H new ATOM 999 N GLY A 425 -4.136 5.445 -6.693 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.554 4.358 -7.562 1.00 0.50 C ATOM 1001 C GLY A 425 -4.699 3.043 -6.823 1.00 0.45 C ATOM 1002 O GLY A 425 -5.185 3.010 -5.693 1.00 0.70 O ATOM 0 H GLY A 425 -3.852 5.160 -5.756 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.505 4.615 -8.028 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -3.827 4.240 -8.366 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.280 1.953 -7.463 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.371 0.631 -6.856 1.00 0.44 C ATOM 1008 C TRP A 426 -2.987 0.000 -6.720 1.00 0.45 C ATOM 1009 O TRP A 426 -2.176 0.049 -7.645 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.297 -0.277 -7.674 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.687 0.260 -7.818 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.062 1.448 -8.368 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.886 -0.382 -7.394 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.429 1.586 -8.311 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.957 0.470 -7.714 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -8.150 -1.597 -6.774 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.280 0.138 -7.431 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.461 -1.930 -6.491 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.512 -1.064 -6.819 1.00 0.59 C ATOM 0 H TRP A 426 -3.875 1.961 -8.399 1.00 0.50 H new ATOM 0 HA TRP A 426 -4.794 0.745 -5.858 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.868 -0.422 -8.665 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.342 -1.258 -7.200 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.384 2.176 -8.788 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -8.961 2.385 -8.655 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.345 -2.269 -6.518 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -11.092 0.804 -7.685 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.679 -2.872 -6.010 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.526 -1.351 -6.584 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.722 -0.578 -5.551 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.433 -1.206 -5.272 1.00 0.46 C ATOM 1032 C VAL A 427 -1.548 -2.725 -5.200 1.00 0.51 C ATOM 1033 O VAL A 427 -2.618 -3.266 -4.923 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.837 -0.686 -3.955 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.499 0.792 -4.069 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.802 -0.929 -2.809 1.00 0.85 C ATOM 0 H VAL A 427 -3.386 -0.624 -4.778 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.773 -0.942 -6.098 1.00 0.46 H new ATOM 0 HB VAL A 427 0.085 -1.231 -3.751 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.078 1.143 -3.127 1.00 0.89 H new ATOM 0 HG12 VAL A 427 0.228 0.938 -4.868 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.404 1.356 -4.294 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -1.367 -0.556 -1.882 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.739 -0.408 -3.006 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.994 -1.998 -2.715 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.434 -3.406 -5.461 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.418 -4.859 -5.436 1.00 0.65 C ATOM 1048 C GLY A 428 -0.461 -5.454 -4.034 1.00 0.79 C ATOM 1049 O GLY A 428 -0.016 -6.583 -3.832 1.00 1.72 O ATOM 0 H GLY A 428 0.461 -2.975 -5.690 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.270 -5.232 -6.004 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.481 -5.211 -5.942 1.00 0.65 H new ATOM 1053 N ARG A 429 -1.013 -4.702 -3.079 1.00 0.54 N ATOM 1054 CA ARG A 429 -1.135 -5.155 -1.686 1.00 0.54 C ATOM 1055 C ARG A 429 0.213 -5.202 -0.960 1.00 0.49 C ATOM 1056 O ARG A 429 0.324 -4.732 0.172 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.817 -6.529 -1.625 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.667 -7.240 -0.286 1.00 0.83 C ATOM 1059 CD ARG A 429 -2.267 -6.436 0.859 1.00 0.85 C ATOM 1060 NE ARG A 429 -2.092 -7.104 2.148 1.00 1.20 N ATOM 1061 CZ ARG A 429 -0.913 -7.265 2.748 1.00 1.26 C ATOM 1062 NH1 ARG A 429 0.187 -6.748 2.216 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -0.834 -7.930 3.893 1.00 1.65 N ATOM 0 H ARG A 429 -1.387 -3.767 -3.245 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.752 -4.420 -1.169 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.878 -6.406 -1.842 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -1.403 -7.163 -2.409 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -2.152 -8.215 -0.337 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.610 -7.420 -0.088 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.800 -5.452 0.894 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -3.329 -6.278 0.674 1.00 0.85 H new ATOM 0 HE ARG A 429 -2.922 -7.468 2.616 1.00 1.20 H new ATOM 0 HH11 ARG A 429 0.133 -6.224 1.343 1.00 1.73 H new ATOM 0 HH12 ARG A 429 1.086 -6.875 2.680 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -1.677 -8.319 4.316 1.00 1.65 H new ATOM 0 HH22 ARG A 429 0.069 -8.052 4.351 1.00 1.65 H new ATOM 1077 N HIS A 430 1.232 -5.768 -1.602 1.00 0.49 N ATOM 1078 CA HIS A 430 2.555 -5.867 -0.992 1.00 0.53 C ATOM 1079 C HIS A 430 3.094 -4.487 -0.635 1.00 0.47 C ATOM 1080 O HIS A 430 4.003 -4.355 0.185 1.00 0.49 O ATOM 1081 CB HIS A 430 3.528 -6.581 -1.935 1.00 0.65 C ATOM 1082 CG HIS A 430 3.762 -5.856 -3.225 1.00 0.77 C ATOM 1083 ND1 HIS A 430 2.760 -5.591 -4.135 1.00 1.20 N ATOM 1084 CD2 HIS A 430 4.895 -5.338 -3.754 1.00 1.47 C ATOM 1085 CE1 HIS A 430 3.267 -4.942 -5.168 1.00 1.31 C ATOM 1086 NE2 HIS A 430 4.560 -4.776 -4.961 1.00 1.46 N ATOM 0 H HIS A 430 1.168 -6.163 -2.540 1.00 0.49 H new ATOM 0 HA HIS A 430 2.460 -6.449 -0.075 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.482 -6.713 -1.425 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.143 -7.577 -2.154 1.00 0.65 H new ATOM 0 HD2 HIS A 430 5.879 -5.362 -3.310 1.00 1.47 H new ATOM 0 HE1 HIS A 430 2.717 -4.605 -6.034 1.00 1.31 H new ATOM 0 HE2 HIS A 430 5.206 -4.306 -5.595 1.00 1.46 H new ATOM 1095 N ARG A 431 2.532 -3.466 -1.268 1.00 0.43 N ATOM 1096 CA ARG A 431 2.951 -2.092 -1.038 1.00 0.41 C ATOM 1097 C ARG A 431 2.360 -1.536 0.260 1.00 0.37 C ATOM 1098 O ARG A 431 2.972 -0.692 0.914 1.00 0.57 O ATOM 1099 CB ARG A 431 2.550 -1.225 -2.232 1.00 0.44 C ATOM 1100 CG ARG A 431 3.129 -1.724 -3.549 1.00 0.53 C ATOM 1101 CD ARG A 431 2.686 -0.868 -4.724 1.00 0.64 C ATOM 1102 NE ARG A 431 3.253 -1.336 -5.987 1.00 1.39 N ATOM 1103 CZ ARG A 431 3.089 -0.708 -7.149 1.00 2.05 C ATOM 1104 NH1 ARG A 431 2.405 0.428 -7.207 1.00 2.55 N ATOM 1105 NH2 ARG A 431 3.618 -1.213 -8.256 1.00 2.84 N ATOM 0 H ARG A 431 1.780 -3.566 -1.949 1.00 0.43 H new ATOM 0 HA ARG A 431 4.036 -2.075 -0.933 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.463 -1.198 -2.306 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.883 -0.202 -2.059 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.217 -1.724 -3.490 1.00 0.53 H new ATOM 0 HG3 ARG A 431 2.819 -2.756 -3.714 1.00 0.53 H new ATOM 0 HD2 ARG A 431 1.598 -0.877 -4.790 1.00 0.64 H new ATOM 0 HD3 ARG A 431 2.986 0.166 -4.553 1.00 0.64 H new ATOM 0 HE ARG A 431 3.806 -2.193 -5.977 1.00 1.39 H new ATOM 0 HH11 ARG A 431 2.002 0.824 -6.358 1.00 2.55 H new ATOM 0 HH12 ARG A 431 2.283 0.905 -8.100 1.00 2.55 H new ATOM 0 HH21 ARG A 431 4.150 -2.082 -8.216 1.00 2.84 H new ATOM 0 HH22 ARG A 431 3.492 -0.732 -9.147 1.00 2.84 H new ATOM 1119 N ILE A 432 1.175 -2.015 0.636 1.00 0.39 N ATOM 1120 CA ILE A 432 0.524 -1.555 1.862 1.00 0.36 C ATOM 1121 C ILE A 432 0.973 -2.390 3.058 1.00 0.38 C ATOM 1122 O ILE A 432 1.075 -3.614 2.969 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.015 -1.622 1.756 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.496 -0.837 0.537 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.655 -1.084 3.028 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.974 -0.998 0.257 1.00 0.46 C ATOM 0 H ILE A 432 0.649 -2.716 0.114 1.00 0.39 H new ATOM 0 HA ILE A 432 0.820 -0.515 2.004 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.314 -2.663 1.634 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -1.276 0.220 0.686 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.932 -1.159 -0.338 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.740 -1.137 2.940 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.330 -1.682 3.880 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.353 -0.047 3.177 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.244 -0.413 -0.622 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.198 -2.049 0.075 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.547 -0.648 1.116 1.00 0.46 H new ATOM 1138 N SER A 433 1.241 -1.718 4.175 1.00 0.34 N ATOM 1139 CA SER A 433 1.683 -2.394 5.391 1.00 0.38 C ATOM 1140 C SER A 433 1.456 -1.518 6.619 1.00 0.36 C ATOM 1141 O SER A 433 1.678 -0.308 6.581 1.00 0.34 O ATOM 1142 CB SER A 433 3.165 -2.760 5.286 1.00 0.41 C ATOM 1143 OG SER A 433 3.403 -3.635 4.198 1.00 0.53 O ATOM 0 H SER A 433 1.160 -0.705 4.263 1.00 0.34 H new ATOM 0 HA SER A 433 1.093 -3.304 5.501 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.758 -1.854 5.163 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.492 -3.231 6.213 1.00 0.41 H new ATOM 0 HG SER A 433 2.550 -3.988 3.870 1.00 0.53 H new ATOM 1149 N ASP A 434 1.013 -2.140 7.707 1.00 0.43 N ATOM 1150 CA ASP A 434 0.753 -1.427 8.953 1.00 0.48 C ATOM 1151 C ASP A 434 2.048 -0.940 9.599 1.00 0.48 C ATOM 1152 O ASP A 434 2.041 0.005 10.389 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.020 -2.319 9.927 1.00 0.60 C ATOM 1154 CG ASP A 434 0.708 -3.613 10.244 1.00 0.83 C ATOM 1155 OD1 ASP A 434 1.797 -3.834 9.673 1.00 1.12 O ATOM 1156 OD2 ASP A 434 0.195 -4.402 11.065 1.00 1.35 O ATOM 0 H ASP A 434 0.826 -3.142 7.751 1.00 0.43 H new ATOM 0 HA ASP A 434 0.148 -0.553 8.714 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.197 -1.771 10.852 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -0.997 -2.551 9.503 1.00 0.60 H new ATOM 1161 N ASN A 435 3.159 -1.596 9.269 1.00 0.43 N ATOM 1162 CA ASN A 435 4.457 -1.230 9.831 1.00 0.47 C ATOM 1163 C ASN A 435 5.341 -0.560 8.783 1.00 0.39 C ATOM 1164 O ASN A 435 5.455 -1.037 7.654 1.00 0.38 O ATOM 1165 CB ASN A 435 5.166 -2.470 10.385 1.00 0.59 C ATOM 1166 CG ASN A 435 4.398 -3.153 11.507 1.00 1.26 C ATOM 1167 OD1 ASN A 435 4.836 -4.175 12.033 1.00 2.16 O ATOM 1168 ND2 ASN A 435 3.251 -2.595 11.884 1.00 1.81 N ATOM 0 H ASN A 435 3.186 -2.381 8.618 1.00 0.43 H new ATOM 0 HA ASN A 435 4.282 -0.522 10.641 1.00 0.47 H new ATOM 0 HB2 ASN A 435 5.322 -3.183 9.575 1.00 0.59 H new ATOM 0 HB3 ASN A 435 6.152 -2.183 10.751 1.00 0.59 H new ATOM 0 HD21 ASN A 435 2.702 -3.015 12.634 1.00 1.81 H new ATOM 0 HD22 ASN A 435 2.921 -1.747 11.423 1.00 1.81 H new ATOM 1175 N ALA A 436 5.962 0.551 9.168 1.00 0.49 N ATOM 1176 CA ALA A 436 6.836 1.298 8.271 1.00 0.55 C ATOM 1177 C ALA A 436 8.103 0.511 7.946 1.00 0.55 C ATOM 1178 O ALA A 436 8.536 0.463 6.795 1.00 0.54 O ATOM 1179 CB ALA A 436 7.192 2.643 8.884 1.00 0.75 C ATOM 0 H ALA A 436 5.875 0.955 10.100 1.00 0.49 H new ATOM 0 HA ALA A 436 6.298 1.464 7.338 1.00 0.55 H new ATOM 0 HB1 ALA A 436 7.845 3.191 8.205 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.282 3.217 9.055 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.705 2.486 9.833 1.00 0.75 H new ATOM 1185 N ASP A 437 8.695 -0.098 8.970 1.00 0.65 N ATOM 1186 CA ASP A 437 9.918 -0.878 8.797 1.00 0.75 C ATOM 1187 C ASP A 437 9.734 -1.955 7.732 1.00 0.71 C ATOM 1188 O ASP A 437 10.634 -2.210 6.932 1.00 0.78 O ATOM 1189 CB ASP A 437 10.330 -1.520 10.122 1.00 0.92 C ATOM 1190 CG ASP A 437 10.637 -0.493 11.197 1.00 1.02 C ATOM 1191 OD1 ASP A 437 10.532 0.717 10.908 1.00 1.34 O ATOM 1192 OD2 ASP A 437 10.982 -0.899 12.327 1.00 1.34 O ATOM 0 H ASP A 437 8.348 -0.067 9.929 1.00 0.65 H new ATOM 0 HA ASP A 437 10.706 -0.200 8.468 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.531 -2.175 10.468 1.00 0.92 H new ATOM 0 HB3 ASP A 437 11.208 -2.146 9.961 1.00 0.92 H new ATOM 1197 N ASP A 438 8.562 -2.583 7.730 1.00 0.68 N ATOM 1198 CA ASP A 438 8.252 -3.631 6.763 1.00 0.73 C ATOM 1199 C ASP A 438 7.867 -3.031 5.412 1.00 0.73 C ATOM 1200 O ASP A 438 6.830 -3.375 4.843 1.00 1.35 O ATOM 1201 CB ASP A 438 7.118 -4.515 7.285 1.00 0.88 C ATOM 1202 CG ASP A 438 7.468 -5.192 8.595 1.00 1.08 C ATOM 1203 OD1 ASP A 438 7.736 -4.474 9.581 1.00 1.56 O ATOM 1204 OD2 ASP A 438 7.475 -6.440 8.634 1.00 1.36 O ATOM 0 H ASP A 438 7.809 -2.384 8.389 1.00 0.68 H new ATOM 0 HA ASP A 438 9.145 -4.241 6.626 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.222 -3.909 7.420 1.00 0.88 H new ATOM 0 HB3 ASP A 438 6.880 -5.274 6.539 1.00 0.88 H new ATOM 1209 N LEU A 439 8.706 -2.130 4.907 1.00 0.54 N ATOM 1210 CA LEU A 439 8.448 -1.475 3.629 1.00 0.53 C ATOM 1211 C LEU A 439 9.755 -1.103 2.927 1.00 0.61 C ATOM 1212 O LEU A 439 10.330 -1.918 2.205 1.00 0.86 O ATOM 1213 CB LEU A 439 7.582 -0.230 3.843 1.00 0.52 C ATOM 1214 CG LEU A 439 6.139 -0.505 4.269 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.471 0.776 4.735 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.353 -1.117 3.122 1.00 1.10 C ATOM 0 H LEU A 439 9.570 -1.837 5.364 1.00 0.54 H new ATOM 0 HA LEU A 439 7.911 -2.174 2.988 1.00 0.53 H new ATOM 0 HB2 LEU A 439 8.054 0.396 4.600 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.567 0.346 2.918 1.00 0.52 H new ATOM 0 HG LEU A 439 6.155 -1.213 5.098 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.445 0.563 5.035 1.00 1.12 H new ATOM 0 HD12 LEU A 439 6.020 1.184 5.584 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.468 1.502 3.922 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.329 -1.306 3.443 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.347 -0.429 2.277 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.818 -2.056 2.822 1.00 1.10 H new ATOM 1228 N GLY A 440 10.222 0.126 3.138 1.00 0.59 N ATOM 1229 CA GLY A 440 11.456 0.566 2.511 1.00 0.77 C ATOM 1230 C GLY A 440 11.859 1.967 2.929 1.00 0.96 C ATOM 1231 O GLY A 440 12.189 2.802 2.087 1.00 1.36 O ATOM 0 H GLY A 440 9.769 0.822 3.730 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.256 -0.129 2.766 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.340 0.534 1.428 1.00 0.77 H new ATOM 1235 N GLY A 441 11.834 2.223 4.234 1.00 0.93 N ATOM 1236 CA GLY A 441 12.206 3.531 4.743 1.00 1.24 C ATOM 1237 C GLY A 441 11.189 4.604 4.408 1.00 1.14 C ATOM 1238 O GLY A 441 10.760 4.725 3.260 1.00 1.83 O ATOM 0 H GLY A 441 11.563 1.547 4.948 1.00 0.93 H new ATOM 0 HA2 GLY A 441 12.324 3.474 5.825 1.00 1.24 H new ATOM 0 HA3 GLY A 441 13.175 3.814 4.331 1.00 1.24 H new ATOM 1242 N ILE A 442 10.813 5.391 5.410 1.00 1.10 N ATOM 1243 CA ILE A 442 9.853 6.467 5.215 1.00 1.03 C ATOM 1244 C ILE A 442 10.452 7.554 4.335 1.00 1.05 C ATOM 1245 O ILE A 442 11.333 8.294 4.772 1.00 1.39 O ATOM 1246 CB ILE A 442 9.417 7.085 6.560 1.00 1.26 C ATOM 1247 CG1 ILE A 442 8.748 6.029 7.444 1.00 1.41 C ATOM 1248 CG2 ILE A 442 8.481 8.265 6.332 1.00 1.38 C ATOM 1249 CD1 ILE A 442 7.484 5.444 6.848 1.00 1.48 C ATOM 0 H ILE A 442 11.160 5.303 6.365 1.00 1.10 H new ATOM 0 HA ILE A 442 8.976 6.040 4.729 1.00 1.03 H new ATOM 0 HB ILE A 442 10.306 7.450 7.074 1.00 1.26 H new ATOM 0 HG12 ILE A 442 9.457 5.223 7.631 1.00 1.41 H new ATOM 0 HG13 ILE A 442 8.511 6.475 8.410 1.00 1.41 H new ATOM 0 HG21 ILE A 442 8.186 8.686 7.293 1.00 1.38 H new ATOM 0 HG22 ILE A 442 8.993 9.027 5.744 1.00 1.38 H new ATOM 0 HG23 ILE A 442 7.594 7.928 5.796 1.00 1.38 H new ATOM 0 HD11 ILE A 442 7.068 4.704 7.532 1.00 1.48 H new ATOM 0 HD12 ILE A 442 6.756 6.239 6.687 1.00 1.48 H new ATOM 0 HD13 ILE A 442 7.717 4.968 5.896 1.00 1.48 H new ATOM 1261 N THR A 443 9.967 7.639 3.098 1.00 1.13 N ATOM 1262 CA THR A 443 10.441 8.629 2.131 1.00 1.36 C ATOM 1263 C THR A 443 11.948 8.809 2.202 1.00 1.47 C ATOM 1264 O THR A 443 12.471 9.922 2.118 1.00 2.20 O ATOM 1265 CB THR A 443 9.742 9.982 2.316 1.00 2.21 C ATOM 1266 OG1 THR A 443 10.143 10.888 1.281 1.00 3.05 O ATOM 1267 CG2 THR A 443 10.046 10.594 3.676 1.00 2.78 C ATOM 0 H THR A 443 9.236 7.026 2.738 1.00 1.13 H new ATOM 0 HA THR A 443 10.188 8.243 1.143 1.00 1.36 H new ATOM 0 HB THR A 443 8.668 9.807 2.258 1.00 2.21 H new ATOM 0 HG1 THR A 443 11.119 10.879 1.198 1.00 3.05 H new ATOM 0 HG21 THR A 443 9.532 11.551 3.767 1.00 2.78 H new ATOM 0 HG22 THR A 443 9.703 9.922 4.462 1.00 2.78 H new ATOM 0 HG23 THR A 443 11.121 10.748 3.774 1.00 2.78 H new ATOM 1275 N VAL A 444 12.633 7.693 2.348 1.00 1.90 N ATOM 1276 CA VAL A 444 14.090 7.680 2.425 1.00 2.70 C ATOM 1277 C VAL A 444 14.663 6.427 1.772 1.00 3.02 C ATOM 1278 O VAL A 444 14.211 5.312 2.033 1.00 3.60 O ATOM 1279 CB VAL A 444 14.588 7.756 3.887 1.00 3.53 C ATOM 1280 CG1 VAL A 444 16.100 7.600 3.949 1.00 4.18 C ATOM 1281 CG2 VAL A 444 14.164 9.066 4.533 1.00 4.02 C ATOM 0 H VAL A 444 12.203 6.771 2.417 1.00 1.90 H new ATOM 0 HA VAL A 444 14.438 8.563 1.888 1.00 2.70 H new ATOM 0 HB VAL A 444 14.133 6.935 4.442 1.00 3.53 H new ATOM 0 HG11 VAL A 444 16.429 7.657 4.987 1.00 4.18 H new ATOM 0 HG12 VAL A 444 16.384 6.634 3.530 1.00 4.18 H new ATOM 0 HG13 VAL A 444 16.572 8.397 3.375 1.00 4.18 H new ATOM 0 HG21 VAL A 444 14.525 9.098 5.561 1.00 4.02 H new ATOM 0 HG22 VAL A 444 14.586 9.901 3.974 1.00 4.02 H new ATOM 0 HG23 VAL A 444 13.076 9.139 4.528 1.00 4.02 H new ATOM 1291 N LEU A 445 15.664 6.626 0.923 1.00 3.13 N ATOM 1292 CA LEU A 445 16.319 5.525 0.223 1.00 3.83 C ATOM 1293 C LEU A 445 17.805 5.825 0.027 1.00 4.75 C ATOM 1294 O LEU A 445 18.179 6.956 -0.283 1.00 4.99 O ATOM 1295 CB LEU A 445 15.655 5.276 -1.135 1.00 3.87 C ATOM 1296 CG LEU A 445 14.206 4.787 -1.077 1.00 3.48 C ATOM 1297 CD1 LEU A 445 13.614 4.707 -2.476 1.00 3.82 C ATOM 1298 CD2 LEU A 445 14.128 3.430 -0.392 1.00 3.70 C ATOM 0 H LEU A 445 16.043 7.547 0.701 1.00 3.13 H new ATOM 0 HA LEU A 445 16.216 4.627 0.833 1.00 3.83 H new ATOM 0 HB2 LEU A 445 15.686 6.201 -1.711 1.00 3.87 H new ATOM 0 HB3 LEU A 445 16.247 4.541 -1.681 1.00 3.87 H new ATOM 0 HG LEU A 445 13.625 5.503 -0.495 1.00 3.48 H new ATOM 0 HD11 LEU A 445 12.583 4.358 -2.415 1.00 3.82 H new ATOM 0 HD12 LEU A 445 13.636 5.694 -2.937 1.00 3.82 H new ATOM 0 HD13 LEU A 445 14.198 4.012 -3.079 1.00 3.82 H new ATOM 0 HD21 LEU A 445 13.090 3.098 -0.360 1.00 3.70 H new ATOM 0 HD22 LEU A 445 14.723 2.707 -0.949 1.00 3.70 H new ATOM 0 HD23 LEU A 445 14.514 3.512 0.624 1.00 3.70 H new ATOM 1310 N PRO A 446 18.674 4.813 0.213 1.00 5.56 N ATOM 1311 CA PRO A 446 20.125 4.980 0.062 1.00 6.59 C ATOM 1312 C PRO A 446 20.510 5.581 -1.286 1.00 7.07 C ATOM 1313 O PRO A 446 20.049 5.129 -2.334 1.00 7.26 O ATOM 1314 CB PRO A 446 20.662 3.550 0.184 1.00 7.40 C ATOM 1315 CG PRO A 446 19.631 2.823 0.975 1.00 6.97 C ATOM 1316 CD PRO A 446 18.313 3.435 0.593 1.00 5.82 C ATOM 0 HA PRO A 446 20.532 5.669 0.802 1.00 6.59 H new ATOM 0 HB2 PRO A 446 20.802 3.095 -0.797 1.00 7.40 H new ATOM 0 HB3 PRO A 446 21.630 3.532 0.685 1.00 7.40 H new ATOM 0 HG2 PRO A 446 19.646 1.757 0.750 1.00 6.97 H new ATOM 0 HG3 PRO A 446 19.814 2.926 2.044 1.00 6.97 H new ATOM 0 HD2 PRO A 446 17.846 2.900 -0.233 1.00 5.82 H new ATOM 0 HD3 PRO A 446 17.607 3.419 1.423 1.00 5.82 H new ATOM 1324 N ALA A 447 21.361 6.603 -1.247 1.00 7.52 N ATOM 1325 CA ALA A 447 21.817 7.274 -2.459 1.00 8.19 C ATOM 1326 C ALA A 447 22.705 6.355 -3.296 1.00 8.83 C ATOM 1327 O ALA A 447 23.471 5.560 -2.751 1.00 9.06 O ATOM 1328 CB ALA A 447 22.561 8.552 -2.103 1.00 8.42 C ATOM 0 H ALA A 447 21.750 6.985 -0.385 1.00 7.52 H new ATOM 0 HA ALA A 447 20.942 7.530 -3.056 1.00 8.19 H new ATOM 0 HB1 ALA A 447 22.897 9.044 -3.016 1.00 8.42 H new ATOM 0 HB2 ALA A 447 21.896 9.219 -1.554 1.00 8.42 H new ATOM 0 HB3 ALA A 447 23.424 8.310 -1.483 1.00 8.42 H new ATOM 1334 N PRO A 448 22.617 6.452 -4.637 1.00 9.38 N ATOM 1335 CA PRO A 448 23.421 5.623 -5.540 1.00 10.23 C ATOM 1336 C PRO A 448 24.915 5.717 -5.233 1.00 10.87 C ATOM 1337 O PRO A 448 25.449 6.811 -5.045 1.00 11.06 O ATOM 1338 CB PRO A 448 23.124 6.209 -6.924 1.00 10.80 C ATOM 1339 CG PRO A 448 21.792 6.857 -6.784 1.00 10.31 C ATOM 1340 CD PRO A 448 21.731 7.373 -5.374 1.00 9.48 C ATOM 0 HA PRO A 448 23.174 4.565 -5.449 1.00 10.23 H new ATOM 0 HB2 PRO A 448 23.886 6.930 -7.220 1.00 10.80 H new ATOM 0 HB3 PRO A 448 23.107 5.431 -7.688 1.00 10.80 H new ATOM 0 HG2 PRO A 448 21.675 7.668 -7.502 1.00 10.31 H new ATOM 0 HG3 PRO A 448 20.989 6.145 -6.974 1.00 10.31 H new ATOM 0 HD2 PRO A 448 22.078 8.404 -5.308 1.00 9.48 H new ATOM 0 HD3 PRO A 448 20.714 7.353 -4.982 1.00 9.48 H new ATOM 1348 N PRO A 449 25.612 4.567 -5.175 1.00 11.41 N ATOM 1349 CA PRO A 449 27.049 4.532 -4.885 1.00 12.23 C ATOM 1350 C PRO A 449 27.886 5.152 -5.999 1.00 13.10 C ATOM 1351 O PRO A 449 27.715 4.820 -7.173 1.00 13.50 O ATOM 1352 CB PRO A 449 27.358 3.037 -4.757 1.00 12.72 C ATOM 1353 CG PRO A 449 26.282 2.357 -5.530 1.00 12.39 C ATOM 1354 CD PRO A 449 25.058 3.216 -5.382 1.00 11.49 C ATOM 0 HA PRO A 449 27.291 5.109 -3.992 1.00 12.23 H new ATOM 0 HB2 PRO A 449 28.343 2.801 -5.159 1.00 12.72 H new ATOM 0 HB3 PRO A 449 27.356 2.721 -3.714 1.00 12.72 H new ATOM 0 HG2 PRO A 449 26.561 2.253 -6.579 1.00 12.39 H new ATOM 0 HG3 PRO A 449 26.102 1.352 -5.147 1.00 12.39 H new ATOM 0 HD2 PRO A 449 24.427 3.172 -6.269 1.00 11.49 H new ATOM 0 HD3 PRO A 449 24.445 2.900 -4.538 1.00 11.49 H new ATOM 1362 N LEU A 450 28.795 6.045 -5.614 1.00 13.55 N ATOM 1363 CA LEU A 450 29.681 6.720 -6.562 1.00 14.50 C ATOM 1364 C LEU A 450 28.895 7.574 -7.558 1.00 14.96 C ATOM 1365 O LEU A 450 27.978 7.092 -8.221 1.00 15.17 O ATOM 1366 CB LEU A 450 30.533 5.695 -7.317 1.00 15.07 C ATOM 1367 CG LEU A 450 31.355 4.753 -6.433 1.00 15.25 C ATOM 1368 CD1 LEU A 450 32.132 3.763 -7.287 1.00 15.76 C ATOM 1369 CD2 LEU A 450 32.302 5.542 -5.540 1.00 15.35 C ATOM 0 H LEU A 450 28.939 6.320 -4.642 1.00 13.55 H new ATOM 0 HA LEU A 450 30.332 7.381 -5.989 1.00 14.50 H new ATOM 0 HB2 LEU A 450 29.877 5.095 -7.948 1.00 15.07 H new ATOM 0 HB3 LEU A 450 31.212 6.230 -7.981 1.00 15.07 H new ATOM 0 HG LEU A 450 30.667 4.196 -5.796 1.00 15.25 H new ATOM 0 HD11 LEU A 450 32.710 3.102 -6.642 1.00 15.76 H new ATOM 0 HD12 LEU A 450 31.436 3.172 -7.883 1.00 15.76 H new ATOM 0 HD13 LEU A 450 32.807 4.305 -7.949 1.00 15.76 H new ATOM 0 HD21 LEU A 450 32.876 4.853 -4.920 1.00 15.35 H new ATOM 0 HD22 LEU A 450 32.982 6.127 -6.159 1.00 15.35 H new ATOM 0 HD23 LEU A 450 31.726 6.211 -4.901 1.00 15.35 H new ATOM 1381 N ALA A 451 29.279 8.845 -7.664 1.00 15.28 N ATOM 1382 CA ALA A 451 28.632 9.775 -8.584 1.00 15.91 C ATOM 1383 C ALA A 451 27.117 9.813 -8.381 1.00 16.47 C ATOM 1384 O ALA A 451 26.378 9.077 -9.034 1.00 16.74 O ATOM 1385 CB ALA A 451 28.963 9.407 -10.023 1.00 16.18 C ATOM 0 H ALA A 451 30.039 9.255 -7.121 1.00 15.28 H new ATOM 0 HA ALA A 451 29.017 10.772 -8.371 1.00 15.91 H new ATOM 0 HB1 ALA A 451 28.474 10.108 -10.699 1.00 16.18 H new ATOM 0 HB2 ALA A 451 30.042 9.452 -10.171 1.00 16.18 H new ATOM 0 HB3 ALA A 451 28.610 8.397 -10.231 1.00 16.18 H new ATOM 1391 N PRO A 452 26.628 10.681 -7.475 1.00 16.82 N ATOM 1392 CA PRO A 452 25.192 10.811 -7.203 1.00 17.52 C ATOM 1393 C PRO A 452 24.441 11.462 -8.360 1.00 18.21 C ATOM 1394 O PRO A 452 24.843 12.514 -8.858 1.00 18.53 O ATOM 1395 CB PRO A 452 25.147 11.708 -5.964 1.00 17.79 C ATOM 1396 CG PRO A 452 26.400 12.508 -6.033 1.00 17.36 C ATOM 1397 CD PRO A 452 27.432 11.607 -6.653 1.00 16.73 C ATOM 0 HA PRO A 452 24.713 9.842 -7.062 1.00 17.52 H new ATOM 0 HB2 PRO A 452 24.266 12.350 -5.971 1.00 17.79 H new ATOM 0 HB3 PRO A 452 25.104 11.118 -5.049 1.00 17.79 H new ATOM 0 HG2 PRO A 452 26.256 13.407 -6.632 1.00 17.36 H new ATOM 0 HG3 PRO A 452 26.711 12.833 -5.040 1.00 17.36 H new ATOM 0 HD2 PRO A 452 28.143 12.168 -7.259 1.00 16.73 H new ATOM 0 HD3 PRO A 452 28.008 11.075 -5.896 1.00 16.73 H new ATOM 1405 N ASP A 453 23.346 10.834 -8.779 1.00 18.57 N ATOM 1406 CA ASP A 453 22.533 11.352 -9.877 1.00 19.36 C ATOM 1407 C ASP A 453 21.284 10.501 -10.077 1.00 19.52 C ATOM 1408 O ASP A 453 21.337 9.274 -9.989 1.00 19.55 O ATOM 1409 CB ASP A 453 23.343 11.394 -11.176 1.00 19.71 C ATOM 1410 CG ASP A 453 23.775 10.015 -11.636 1.00 20.25 C ATOM 1411 OD1 ASP A 453 24.504 9.340 -10.881 1.00 20.55 O ATOM 1412 OD2 ASP A 453 23.384 9.612 -12.751 1.00 20.48 O ATOM 0 H ASP A 453 23.000 9.964 -8.374 1.00 18.57 H new ATOM 0 HA ASP A 453 22.228 12.366 -9.616 1.00 19.36 H new ATOM 0 HB2 ASP A 453 22.746 11.864 -11.958 1.00 19.71 H new ATOM 0 HB3 ASP A 453 24.225 12.018 -11.030 1.00 19.71 H new ATOM 1417 N GLN A 454 20.160 11.160 -10.347 1.00 19.77 N ATOM 1418 CA GLN A 454 18.896 10.466 -10.559 1.00 20.09 C ATOM 1419 C GLN A 454 18.994 9.506 -11.740 1.00 20.37 C ATOM 1420 O GLN A 454 19.162 8.292 -11.503 1.00 20.63 O ATOM 1421 CB GLN A 454 17.761 11.467 -10.799 1.00 20.30 C ATOM 1422 CG GLN A 454 17.356 12.269 -9.567 1.00 20.53 C ATOM 1423 CD GLN A 454 18.433 13.227 -9.087 1.00 20.93 C ATOM 1424 OE1 GLN A 454 19.483 12.811 -8.600 1.00 21.22 O ATOM 1425 NE2 GLN A 454 18.173 14.521 -9.224 1.00 21.08 N ATOM 1426 OXT GLN A 454 18.900 9.977 -12.894 1.00 20.45 O ATOM 0 H GLN A 454 20.100 12.175 -10.424 1.00 19.77 H new ATOM 0 HA GLN A 454 18.677 9.893 -9.658 1.00 20.09 H new ATOM 0 HB2 GLN A 454 18.064 12.159 -11.585 1.00 20.30 H new ATOM 0 HB3 GLN A 454 16.889 10.927 -11.169 1.00 20.30 H new ATOM 0 HG2 GLN A 454 16.452 12.835 -9.792 1.00 20.53 H new ATOM 0 HG3 GLN A 454 17.108 11.580 -8.760 1.00 20.53 H new ATOM 0 HE21 GLN A 454 17.289 14.823 -9.633 1.00 21.08 H new ATOM 0 HE22 GLN A 454 18.857 15.214 -8.920 1.00 21.08 H new TER 1435 GLN A 454