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 378 ASN : amide:sc= -4.86! C(o=-4!,f=-2!) USER MOD Set 1.2: A 383 TYR OH : rot 180:sc= 0.831 USER MOD Set 2.1: A 366 MET CE :methyl -109:sc= -0.413 (180deg=0) USER MOD Set 2.2: A 371 GLN : amide:sc= -3.4! C(o=-3.8!,f=-7.4!) USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HE2:sc= 0.492 K(o=0.49,f=-3.4!) USER MOD Single : A 370 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 372 LYS NZ :NH3+ -167:sc= -0.0189 (180deg=-0.239) 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 391 THR OG1 : rot -90:sc= -0.644! USER MOD Single : A 393 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-2.4!) USER MOD Single : A 396 GLN : amide:sc= -2.57! C(o=-2.6!,f=-3.5!) USER MOD Single : A 399 GLN : amide:sc= -0.784 K(o=-0.78,f=-0.23) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= -0.0986 USER MOD Single : A 403 THR OG1 : rot -160:sc= -0.849 USER MOD Single : A 405 ASN : amide:sc= -1.62 K(o=-1.6,f=-0.35) USER MOD Single : A 412 TYR OH : rot 168:sc= -0.197 USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HD1:sc= -0.746 K(o=-0.75,f=-3.5!) USER MOD Single : A 416 TYR OH : rot 180:sc= 0 USER MOD Single : A 420 ASN : amide:sc= -2.84! C(o=-2.8!,f=-2.8!) USER MOD Single : A 430 HIS : no HD1:sc= -0.835 K(o=-0.84,f=-1.8) USER MOD Single : A 433 SER OG : rot -10:sc= 0.729 USER MOD Single : A 435 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.1) USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 454 GLN : amide:sc= -1.07! K(o=-1.1!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -9.371 -24.192 -5.849 1.00 11.64 N ATOM 2 CA GLY A 363 -8.371 -24.940 -5.038 1.00 11.03 C ATOM 3 C GLY A 363 -8.958 -25.476 -3.746 1.00 10.23 C ATOM 4 O GLY A 363 -8.730 -26.632 -3.387 1.00 10.21 O ATOM 0 HA2 GLY A 363 -7.977 -25.769 -5.626 1.00 11.03 H new ATOM 0 HA3 GLY A 363 -7.531 -24.285 -4.808 1.00 11.03 H new ATOM 10 N SER A 364 -9.714 -24.633 -3.049 1.00 9.80 N ATOM 11 CA SER A 364 -10.338 -25.023 -1.788 1.00 9.25 C ATOM 12 C SER A 364 -11.288 -23.933 -1.296 1.00 8.36 C ATOM 13 O SER A 364 -11.291 -23.585 -0.114 1.00 8.24 O ATOM 14 CB SER A 364 -9.269 -25.298 -0.727 1.00 9.60 C ATOM 15 OG SER A 364 -8.478 -24.148 -0.490 1.00 9.86 O ATOM 0 H SER A 364 -9.910 -23.674 -3.336 1.00 9.80 H new ATOM 0 HA SER A 364 -10.911 -25.934 -1.960 1.00 9.25 H new ATOM 0 HB2 SER A 364 -9.746 -25.613 0.201 1.00 9.60 H new ATOM 0 HB3 SER A 364 -8.632 -26.120 -1.053 1.00 9.60 H new ATOM 0 HG SER A 364 -7.804 -24.349 0.193 1.00 9.86 H new ATOM 21 N HIS A 365 -12.090 -23.401 -2.213 1.00 7.98 N ATOM 22 CA HIS A 365 -13.045 -22.350 -1.885 1.00 7.35 C ATOM 23 C HIS A 365 -12.325 -21.150 -1.274 1.00 6.30 C ATOM 24 O HIS A 365 -12.678 -20.680 -0.193 1.00 6.44 O ATOM 25 CB HIS A 365 -14.114 -22.882 -0.923 1.00 7.88 C ATOM 26 CG HIS A 365 -15.335 -22.015 -0.828 1.00 7.65 C ATOM 27 ND1 HIS A 365 -15.313 -20.718 -0.360 1.00 7.18 N ATOM 28 CD2 HIS A 365 -16.626 -22.271 -1.152 1.00 8.07 C ATOM 29 CE1 HIS A 365 -16.534 -20.215 -0.399 1.00 7.26 C ATOM 30 NE2 HIS A 365 -17.348 -21.137 -0.875 1.00 7.79 N ATOM 0 H HIS A 365 -12.097 -23.683 -3.193 1.00 7.98 H new ATOM 0 HA HIS A 365 -13.536 -22.027 -2.803 1.00 7.35 H new ATOM 0 HB2 HIS A 365 -14.413 -23.880 -1.244 1.00 7.88 H new ATOM 0 HB3 HIS A 365 -13.676 -22.985 0.070 1.00 7.88 H new ATOM 0 HD1 HIS A 365 -14.483 -20.224 -0.034 1.00 7.18 H new ATOM 0 HD2 HIS A 365 -17.014 -23.195 -1.553 1.00 8.07 H new ATOM 0 HE1 HIS A 365 -16.817 -19.219 -0.093 1.00 7.26 H new ATOM 39 N MET A 366 -11.305 -20.666 -1.976 1.00 5.51 N ATOM 40 CA MET A 366 -10.525 -19.525 -1.510 1.00 4.67 C ATOM 41 C MET A 366 -11.427 -18.316 -1.277 1.00 4.56 C ATOM 42 O MET A 366 -12.204 -17.932 -2.151 1.00 4.71 O ATOM 43 CB MET A 366 -9.439 -19.183 -2.531 1.00 4.15 C ATOM 44 CG MET A 366 -8.511 -18.061 -2.095 1.00 3.72 C ATOM 45 SD MET A 366 -7.241 -17.704 -3.325 1.00 3.31 S ATOM 46 CE MET A 366 -6.338 -16.385 -2.517 1.00 2.76 C ATOM 0 H MET A 366 -10.999 -21.047 -2.871 1.00 5.51 H new ATOM 0 HA MET A 366 -10.054 -19.790 -0.564 1.00 4.67 H new ATOM 0 HB2 MET A 366 -8.845 -20.076 -2.727 1.00 4.15 H new ATOM 0 HB3 MET A 366 -9.914 -18.903 -3.471 1.00 4.15 H new ATOM 0 HG2 MET A 366 -9.096 -17.160 -1.909 1.00 3.72 H new ATOM 0 HG3 MET A 366 -8.035 -18.332 -1.153 1.00 3.72 H new ATOM 0 HE1 MET A 366 -6.533 -15.443 -3.030 1.00 2.76 H new ATOM 0 HE2 MET A 366 -6.660 -16.307 -1.479 1.00 2.76 H new ATOM 0 HE3 MET A 366 -5.270 -16.601 -2.550 1.00 2.76 H new ATOM 56 N ASP A 367 -11.324 -17.725 -0.090 1.00 4.67 N ATOM 57 CA ASP A 367 -12.136 -16.565 0.258 1.00 4.80 C ATOM 58 C ASP A 367 -11.756 -15.348 -0.587 1.00 4.50 C ATOM 59 O ASP A 367 -10.607 -14.907 -0.577 1.00 4.10 O ATOM 60 CB ASP A 367 -11.993 -16.250 1.750 1.00 4.92 C ATOM 61 CG ASP A 367 -10.545 -16.146 2.198 1.00 5.55 C ATOM 62 OD1 ASP A 367 -9.851 -15.215 1.741 1.00 5.80 O ATOM 63 OD2 ASP A 367 -10.107 -16.992 3.004 1.00 6.06 O ATOM 0 H ASP A 367 -10.687 -18.030 0.646 1.00 4.67 H new ATOM 0 HA ASP A 367 -13.178 -16.804 0.046 1.00 4.80 H new ATOM 0 HB2 ASP A 367 -12.503 -15.312 1.968 1.00 4.92 H new ATOM 0 HB3 ASP A 367 -12.492 -17.027 2.329 1.00 4.92 H new ATOM 68 N PRO A 368 -12.722 -14.790 -1.342 1.00 4.98 N ATOM 69 CA PRO A 368 -12.488 -13.631 -2.195 1.00 5.12 C ATOM 70 C PRO A 368 -12.741 -12.310 -1.475 1.00 5.15 C ATOM 71 O PRO A 368 -13.366 -11.402 -2.027 1.00 5.66 O ATOM 72 CB PRO A 368 -13.511 -13.840 -3.306 1.00 5.90 C ATOM 73 CG PRO A 368 -14.671 -14.503 -2.632 1.00 6.16 C ATOM 74 CD PRO A 368 -14.119 -15.251 -1.438 1.00 5.69 C ATOM 0 HA PRO A 368 -11.455 -13.562 -2.535 1.00 5.12 H new ATOM 0 HB2 PRO A 368 -13.804 -12.893 -3.758 1.00 5.90 H new ATOM 0 HB3 PRO A 368 -13.107 -14.463 -4.104 1.00 5.90 H new ATOM 0 HG2 PRO A 368 -15.408 -13.764 -2.317 1.00 6.16 H new ATOM 0 HG3 PRO A 368 -15.176 -15.186 -3.315 1.00 6.16 H new ATOM 0 HD2 PRO A 368 -14.678 -15.022 -0.531 1.00 5.69 H new ATOM 0 HD3 PRO A 368 -14.174 -16.330 -1.583 1.00 5.69 H new ATOM 82 N LEU A 369 -12.257 -12.203 -0.241 1.00 4.84 N ATOM 83 CA LEU A 369 -12.440 -10.989 0.542 1.00 5.12 C ATOM 84 C LEU A 369 -11.490 -10.953 1.737 1.00 4.61 C ATOM 85 O LEU A 369 -10.911 -9.912 2.047 1.00 4.91 O ATOM 86 CB LEU A 369 -13.892 -10.876 1.021 1.00 5.80 C ATOM 87 CG LEU A 369 -14.317 -11.856 2.123 1.00 6.34 C ATOM 88 CD1 LEU A 369 -15.725 -11.537 2.599 1.00 6.73 C ATOM 89 CD2 LEU A 369 -14.243 -13.295 1.630 1.00 6.94 C ATOM 0 H LEU A 369 -11.737 -12.940 0.235 1.00 4.84 H new ATOM 0 HA LEU A 369 -12.210 -10.139 -0.101 1.00 5.12 H new ATOM 0 HB2 LEU A 369 -14.056 -9.861 1.382 1.00 5.80 H new ATOM 0 HB3 LEU A 369 -14.549 -11.019 0.163 1.00 5.80 H new ATOM 0 HG LEU A 369 -13.627 -11.745 2.960 1.00 6.34 H new ATOM 0 HD11 LEU A 369 -16.013 -12.240 3.380 1.00 6.73 H new ATOM 0 HD12 LEU A 369 -15.754 -10.522 2.995 1.00 6.73 H new ATOM 0 HD13 LEU A 369 -16.419 -11.620 1.763 1.00 6.73 H new ATOM 0 HD21 LEU A 369 -14.549 -13.970 2.429 1.00 6.94 H new ATOM 0 HD22 LEU A 369 -14.907 -13.421 0.775 1.00 6.94 H new ATOM 0 HD23 LEU A 369 -13.220 -13.526 1.332 1.00 6.94 H new ATOM 101 N MET A 370 -11.335 -12.093 2.404 1.00 4.12 N ATOM 102 CA MET A 370 -10.457 -12.181 3.563 1.00 3.87 C ATOM 103 C MET A 370 -9.008 -12.382 3.122 1.00 3.02 C ATOM 104 O MET A 370 -8.297 -13.239 3.647 1.00 3.06 O ATOM 105 CB MET A 370 -10.901 -13.328 4.479 1.00 4.63 C ATOM 106 CG MET A 370 -10.631 -13.079 5.958 1.00 5.03 C ATOM 107 SD MET A 370 -8.884 -12.830 6.332 1.00 5.63 S ATOM 108 CE MET A 370 -8.951 -12.541 8.098 1.00 5.52 C ATOM 0 H MET A 370 -11.805 -12.965 2.162 1.00 4.12 H new ATOM 0 HA MET A 370 -10.521 -11.246 4.119 1.00 3.87 H new ATOM 0 HB2 MET A 370 -11.968 -13.499 4.339 1.00 4.63 H new ATOM 0 HB3 MET A 370 -10.389 -14.241 4.175 1.00 4.63 H new ATOM 0 HG2 MET A 370 -11.193 -12.202 6.280 1.00 5.03 H new ATOM 0 HG3 MET A 370 -11.002 -13.926 6.536 1.00 5.03 H new ATOM 0 HE1 MET A 370 -7.943 -12.370 8.477 1.00 5.52 H new ATOM 0 HE2 MET A 370 -9.568 -11.666 8.300 1.00 5.52 H new ATOM 0 HE3 MET A 370 -9.382 -13.411 8.593 1.00 5.52 H new ATOM 118 N GLN A 371 -8.575 -11.589 2.146 1.00 2.80 N ATOM 119 CA GLN A 371 -7.211 -11.683 1.636 1.00 2.63 C ATOM 120 C GLN A 371 -6.243 -10.897 2.509 1.00 2.21 C ATOM 121 O GLN A 371 -5.366 -10.201 2.001 1.00 2.80 O ATOM 122 CB GLN A 371 -7.139 -11.169 0.197 1.00 3.46 C ATOM 123 CG GLN A 371 -8.025 -11.935 -0.773 1.00 3.91 C ATOM 124 CD GLN A 371 -7.578 -13.372 -0.990 1.00 4.54 C ATOM 125 OE1 GLN A 371 -8.251 -14.138 -1.678 1.00 4.97 O ATOM 126 NE2 GLN A 371 -6.438 -13.746 -0.415 1.00 5.04 N ATOM 0 H GLN A 371 -9.147 -10.876 1.694 1.00 2.80 H new ATOM 0 HA GLN A 371 -6.922 -12.734 1.656 1.00 2.63 H new ATOM 0 HB2 GLN A 371 -7.424 -10.117 0.182 1.00 3.46 H new ATOM 0 HB3 GLN A 371 -6.106 -11.224 -0.147 1.00 3.46 H new ATOM 0 HG2 GLN A 371 -9.049 -11.933 -0.398 1.00 3.91 H new ATOM 0 HG3 GLN A 371 -8.035 -11.416 -1.732 1.00 3.91 H new ATOM 0 HE21 GLN A 371 -5.909 -13.081 0.148 1.00 5.04 H new ATOM 0 HE22 GLN A 371 -6.093 -14.698 -0.538 1.00 5.04 H new ATOM 135 N LYS A 372 -6.397 -11.025 3.823 1.00 1.82 N ATOM 136 CA LYS A 372 -5.533 -10.340 4.773 1.00 1.77 C ATOM 137 C LYS A 372 -5.733 -8.823 4.723 1.00 1.50 C ATOM 138 O LYS A 372 -5.880 -8.236 3.651 1.00 1.89 O ATOM 139 CB LYS A 372 -4.081 -10.693 4.482 1.00 2.26 C ATOM 140 CG LYS A 372 -3.785 -12.179 4.587 1.00 2.93 C ATOM 141 CD LYS A 372 -3.937 -12.683 6.013 1.00 3.98 C ATOM 142 CE LYS A 372 -3.634 -14.169 6.117 1.00 4.77 C ATOM 143 NZ LYS A 372 -4.556 -14.984 5.279 1.00 5.39 N ATOM 0 H LYS A 372 -7.119 -11.602 4.255 1.00 1.82 H new ATOM 0 HA LYS A 372 -5.796 -10.671 5.778 1.00 1.77 H new ATOM 0 HB2 LYS A 372 -3.826 -10.350 3.479 1.00 2.26 H new ATOM 0 HB3 LYS A 372 -3.438 -10.153 5.177 1.00 2.26 H new ATOM 0 HG2 LYS A 372 -4.459 -12.731 3.932 1.00 2.93 H new ATOM 0 HG3 LYS A 372 -2.771 -12.374 4.238 1.00 2.93 H new ATOM 0 HD2 LYS A 372 -3.267 -12.128 6.669 1.00 3.98 H new ATOM 0 HD3 LYS A 372 -4.953 -12.493 6.360 1.00 3.98 H new ATOM 0 HE2 LYS A 372 -2.605 -14.352 5.808 1.00 4.77 H new ATOM 0 HE3 LYS A 372 -3.715 -14.484 7.157 1.00 4.77 H new ATOM 0 HZ1 LYS A 372 -4.468 -15.987 5.540 1.00 5.39 H new ATOM 0 HZ2 LYS A 372 -5.535 -14.671 5.435 1.00 5.39 H new ATOM 0 HZ3 LYS A 372 -4.310 -14.865 4.276 1.00 5.39 H new ATOM 157 N ILE A 373 -5.737 -8.202 5.901 1.00 1.42 N ATOM 158 CA ILE A 373 -5.916 -6.760 6.027 1.00 1.22 C ATOM 159 C ILE A 373 -7.203 -6.293 5.353 1.00 1.13 C ATOM 160 O ILE A 373 -7.216 -5.963 4.166 1.00 1.20 O ATOM 161 CB ILE A 373 -4.712 -5.989 5.449 1.00 1.16 C ATOM 162 CG1 ILE A 373 -3.450 -6.301 6.260 1.00 1.40 C ATOM 163 CG2 ILE A 373 -4.985 -4.489 5.438 1.00 1.26 C ATOM 164 CD1 ILE A 373 -2.207 -5.602 5.748 1.00 1.48 C ATOM 0 H ILE A 373 -5.616 -8.684 6.792 1.00 1.42 H new ATOM 0 HA ILE A 373 -5.987 -6.544 7.093 1.00 1.22 H new ATOM 0 HB ILE A 373 -4.556 -6.311 4.419 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -3.616 -6.013 7.298 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -3.280 -7.378 6.251 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -4.122 -3.965 5.026 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -5.862 -4.283 4.824 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -5.167 -4.145 6.456 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -1.355 -5.871 6.372 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -2.015 -5.908 4.720 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -2.356 -4.523 5.783 1.00 1.48 H new ATOM 176 N ASP A 374 -8.282 -6.261 6.127 1.00 1.16 N ATOM 177 CA ASP A 374 -9.577 -5.828 5.628 1.00 1.17 C ATOM 178 C ASP A 374 -9.738 -4.321 5.807 1.00 1.03 C ATOM 179 O ASP A 374 -9.283 -3.757 6.800 1.00 1.25 O ATOM 180 CB ASP A 374 -10.693 -6.568 6.363 1.00 1.40 C ATOM 181 CG ASP A 374 -11.576 -7.366 5.425 1.00 1.77 C ATOM 182 OD1 ASP A 374 -12.190 -6.756 4.524 1.00 2.04 O ATOM 183 OD2 ASP A 374 -11.656 -8.602 5.591 1.00 2.17 O ATOM 0 H ASP A 374 -8.282 -6.533 7.110 1.00 1.16 H new ATOM 0 HA ASP A 374 -9.639 -6.060 4.565 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -10.255 -7.238 7.102 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -11.304 -5.848 6.908 1.00 1.40 H new ATOM 188 N ILE A 375 -10.374 -3.670 4.840 1.00 0.84 N ATOM 189 CA ILE A 375 -10.575 -2.229 4.910 1.00 0.76 C ATOM 190 C ILE A 375 -11.604 -1.853 5.971 1.00 0.76 C ATOM 191 O ILE A 375 -11.410 -0.896 6.719 1.00 0.79 O ATOM 192 CB ILE A 375 -11.025 -1.637 3.561 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.976 -1.889 2.477 1.00 0.82 C ATOM 194 CG2 ILE A 375 -11.292 -0.151 3.720 1.00 0.84 C ATOM 195 CD1 ILE A 375 -10.057 -3.264 1.847 1.00 0.92 C ATOM 0 H ILE A 375 -10.756 -4.113 4.005 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.605 -1.810 5.177 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.946 -2.130 3.249 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -10.087 -1.136 1.697 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -8.984 -1.757 2.909 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.610 0.266 2.764 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -12.077 0.000 4.461 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.381 0.349 4.049 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -9.280 -3.363 1.089 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -9.914 -4.025 2.614 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -11.035 -3.395 1.384 1.00 0.92 H new ATOM 207 N SER A 376 -12.701 -2.602 6.019 1.00 0.79 N ATOM 208 CA SER A 376 -13.777 -2.344 6.978 1.00 0.87 C ATOM 209 C SER A 376 -13.236 -2.176 8.394 1.00 0.96 C ATOM 210 O SER A 376 -13.897 -1.606 9.261 1.00 1.54 O ATOM 211 CB SER A 376 -14.802 -3.478 6.944 1.00 0.95 C ATOM 212 OG SER A 376 -15.367 -3.617 5.652 1.00 1.71 O ATOM 0 H SER A 376 -12.871 -3.397 5.403 1.00 0.79 H new ATOM 0 HA SER A 376 -14.261 -1.411 6.688 1.00 0.87 H new ATOM 0 HB2 SER A 376 -14.325 -4.413 7.238 1.00 0.95 H new ATOM 0 HB3 SER A 376 -15.591 -3.281 7.670 1.00 0.95 H new ATOM 0 HG SER A 376 -16.018 -4.350 5.657 1.00 1.71 H new ATOM 218 N GLU A 377 -12.036 -2.684 8.613 1.00 0.93 N ATOM 219 CA GLU A 377 -11.388 -2.608 9.916 1.00 1.03 C ATOM 220 C GLU A 377 -11.223 -1.164 10.383 1.00 0.87 C ATOM 221 O GLU A 377 -11.540 -0.831 11.525 1.00 0.93 O ATOM 222 CB GLU A 377 -10.019 -3.283 9.850 1.00 1.18 C ATOM 223 CG GLU A 377 -10.076 -4.731 9.397 1.00 1.28 C ATOM 224 CD GLU A 377 -10.664 -5.656 10.445 1.00 1.54 C ATOM 225 OE1 GLU A 377 -11.017 -5.163 11.537 1.00 1.90 O ATOM 226 OE2 GLU A 377 -10.775 -6.870 10.175 1.00 1.92 O ATOM 0 H GLU A 377 -11.484 -3.159 7.899 1.00 0.93 H new ATOM 0 HA GLU A 377 -12.025 -3.123 10.635 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -9.380 -2.723 9.168 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -9.553 -3.237 10.834 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -10.671 -4.798 8.486 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -9.070 -5.068 9.146 1.00 1.28 H new ATOM 233 N ASN A 378 -10.709 -0.316 9.495 1.00 0.71 N ATOM 234 CA ASN A 378 -10.478 1.091 9.813 1.00 0.61 C ATOM 235 C ASN A 378 -10.000 1.857 8.581 1.00 0.58 C ATOM 236 O ASN A 378 -8.824 2.205 8.474 1.00 0.59 O ATOM 237 CB ASN A 378 -9.450 1.217 10.942 1.00 0.62 C ATOM 238 CG ASN A 378 -8.248 0.314 10.743 1.00 1.15 C ATOM 239 OD1 ASN A 378 -7.482 0.078 11.675 1.00 1.16 O ATOM 240 ND2 ASN A 378 -8.065 -0.185 9.525 1.00 2.14 N ATOM 0 H ASN A 378 -10.444 -0.580 8.546 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.422 1.525 10.142 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -9.115 2.252 11.008 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -9.928 0.975 11.891 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -7.265 -0.789 9.336 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -8.725 0.036 8.779 1.00 2.14 H new ATOM 247 N PRO A 379 -10.910 2.124 7.628 1.00 0.62 N ATOM 248 CA PRO A 379 -10.574 2.847 6.398 1.00 0.65 C ATOM 249 C PRO A 379 -9.844 4.158 6.673 1.00 0.61 C ATOM 250 O PRO A 379 -8.903 4.515 5.964 1.00 0.62 O ATOM 251 CB PRO A 379 -11.939 3.122 5.768 1.00 0.77 C ATOM 252 CG PRO A 379 -12.816 2.033 6.280 1.00 0.85 C ATOM 253 CD PRO A 379 -12.335 1.744 7.674 1.00 0.75 C ATOM 0 HA PRO A 379 -9.899 2.275 5.762 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.317 4.103 6.055 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -11.883 3.107 4.680 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -13.862 2.341 6.283 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -12.747 1.146 5.650 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.882 2.325 8.417 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.463 0.693 7.934 1.00 0.75 H new ATOM 261 N ASP A 380 -10.283 4.869 7.707 1.00 0.62 N ATOM 262 CA ASP A 380 -9.670 6.141 8.074 1.00 0.64 C ATOM 263 C ASP A 380 -8.209 5.955 8.471 1.00 0.55 C ATOM 264 O ASP A 380 -7.365 6.799 8.167 1.00 0.55 O ATOM 265 CB ASP A 380 -10.440 6.801 9.218 1.00 0.75 C ATOM 266 CG ASP A 380 -11.885 7.087 8.856 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.621 6.127 8.544 1.00 1.20 O ATOM 268 OD2 ASP A 380 -12.280 8.272 8.884 1.00 1.21 O ATOM 0 H ASP A 380 -11.060 4.587 8.305 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.709 6.790 7.199 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -10.410 6.153 10.094 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.947 7.733 9.494 1.00 0.75 H new ATOM 273 N LYS A 381 -7.915 4.847 9.153 1.00 0.51 N ATOM 274 CA LYS A 381 -6.552 4.559 9.590 1.00 0.47 C ATOM 275 C LYS A 381 -5.567 4.693 8.433 1.00 0.39 C ATOM 276 O LYS A 381 -5.759 4.109 7.367 1.00 0.37 O ATOM 277 CB LYS A 381 -6.463 3.153 10.196 1.00 0.50 C ATOM 278 CG LYS A 381 -5.034 2.673 10.400 1.00 0.52 C ATOM 279 CD LYS A 381 -4.978 1.313 11.076 1.00 0.59 C ATOM 280 CE LYS A 381 -3.557 0.768 11.118 1.00 0.67 C ATOM 281 NZ LYS A 381 -3.492 -0.571 11.766 1.00 1.66 N ATOM 0 H LYS A 381 -8.601 4.138 9.413 1.00 0.51 H new ATOM 0 HA LYS A 381 -6.287 5.288 10.355 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.982 3.145 11.155 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.985 2.451 9.545 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.529 2.619 9.435 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.491 3.400 11.004 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.368 1.394 12.091 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.621 0.614 10.542 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.165 0.699 10.103 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.917 1.465 11.660 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -2.507 -0.905 11.774 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -3.842 -0.501 12.743 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -4.082 -1.243 11.234 1.00 1.66 H new ATOM 295 N ILE A 382 -4.522 5.481 8.652 1.00 0.40 N ATOM 296 CA ILE A 382 -3.503 5.720 7.641 1.00 0.35 C ATOM 297 C ILE A 382 -2.598 4.503 7.446 1.00 0.34 C ATOM 298 O ILE A 382 -2.096 3.928 8.411 1.00 0.41 O ATOM 299 CB ILE A 382 -2.633 6.931 8.028 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.514 8.100 8.479 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.745 7.342 6.865 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.572 8.497 7.470 1.00 0.37 C ATOM 0 H ILE A 382 -4.358 5.970 9.532 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.025 5.919 6.705 1.00 0.35 H new ATOM 0 HB ILE A 382 -1.991 6.645 8.862 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.002 7.834 9.417 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -2.880 8.962 8.684 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.137 8.199 7.156 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.094 6.511 6.593 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.366 7.611 6.011 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.154 9.331 7.862 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.092 8.796 6.538 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.232 7.650 7.282 1.00 0.37 H new ATOM 314 N TYR A 383 -2.377 4.133 6.185 1.00 0.30 N ATOM 315 CA TYR A 383 -1.511 3.004 5.848 1.00 0.30 C ATOM 316 C TYR A 383 -0.333 3.476 5.006 1.00 0.28 C ATOM 317 O TYR A 383 -0.480 4.367 4.175 1.00 0.25 O ATOM 318 CB TYR A 383 -2.274 1.927 5.071 1.00 0.32 C ATOM 319 CG TYR A 383 -3.239 1.115 5.902 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.384 1.686 6.439 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.004 -0.233 6.141 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.267 0.936 7.192 1.00 0.48 C ATOM 323 CE2 TYR A 383 -3.880 -0.989 6.893 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.010 -0.401 7.416 1.00 0.52 C ATOM 325 OH TYR A 383 -5.887 -1.152 8.162 1.00 0.63 O ATOM 0 H TYR A 383 -2.788 4.601 5.377 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.153 2.576 6.785 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.825 2.404 4.261 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.553 1.251 4.611 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.588 2.732 6.266 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.120 -0.698 5.731 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.154 1.394 7.603 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -3.681 -2.036 7.070 1.00 0.55 H new ATOM 0 HH TYR A 383 -5.559 -2.073 8.223 1.00 0.63 H new ATOM 335 N PHE A 384 0.831 2.872 5.211 1.00 0.31 N ATOM 336 CA PHE A 384 2.016 3.242 4.444 1.00 0.30 C ATOM 337 C PHE A 384 2.074 2.486 3.120 1.00 0.28 C ATOM 338 O PHE A 384 1.782 1.291 3.062 1.00 0.33 O ATOM 339 CB PHE A 384 3.292 2.982 5.243 1.00 0.40 C ATOM 340 CG PHE A 384 3.565 3.997 6.323 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.562 4.418 7.183 1.00 0.83 C ATOM 342 CD2 PHE A 384 4.835 4.530 6.473 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.823 5.351 8.170 1.00 0.96 C ATOM 344 CE2 PHE A 384 5.101 5.461 7.457 1.00 0.64 C ATOM 345 CZ PHE A 384 4.095 5.873 8.306 1.00 0.74 C ATOM 0 H PHE A 384 0.981 2.130 5.895 1.00 0.31 H new ATOM 0 HA PHE A 384 1.945 4.309 4.234 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.227 1.994 5.698 1.00 0.40 H new ATOM 0 HB3 PHE A 384 4.139 2.962 4.557 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.566 4.013 7.081 1.00 0.83 H new ATOM 0 HD2 PHE A 384 5.627 4.213 5.811 1.00 0.57 H new ATOM 0 HE1 PHE A 384 2.033 5.671 8.834 1.00 0.96 H new ATOM 0 HE2 PHE A 384 6.096 5.867 7.562 1.00 0.64 H new ATOM 0 HZ PHE A 384 4.301 6.602 9.076 1.00 0.74 H new ATOM 355 N ILE A 385 2.456 3.192 2.058 1.00 0.26 N ATOM 356 CA ILE A 385 2.559 2.590 0.732 1.00 0.27 C ATOM 357 C ILE A 385 3.999 2.614 0.236 1.00 0.24 C ATOM 358 O ILE A 385 4.634 3.668 0.196 1.00 0.30 O ATOM 359 CB ILE A 385 1.667 3.313 -0.306 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.187 3.201 0.070 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.902 2.740 -1.697 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.196 3.993 1.297 1.00 0.32 C ATOM 0 H ILE A 385 2.699 4.182 2.091 1.00 0.26 H new ATOM 0 HA ILE A 385 2.216 1.560 0.833 1.00 0.27 H new ATOM 0 HB ILE A 385 1.939 4.369 -0.309 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.418 3.539 -0.772 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.057 2.152 0.237 1.00 0.32 H new ATOM 0 HG21 ILE A 385 1.268 3.258 -2.416 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.948 2.873 -1.973 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.659 1.677 -1.699 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.259 3.862 1.497 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.381 3.641 2.152 1.00 0.32 H new ATOM 0 HD13 ILE A 385 0.014 5.049 1.128 1.00 0.32 H new ATOM 374 N ARG A 386 4.504 1.450 -0.152 1.00 0.29 N ATOM 375 CA ARG A 386 5.865 1.342 -0.657 1.00 0.30 C ATOM 376 C ARG A 386 5.898 1.524 -2.170 1.00 0.33 C ATOM 377 O ARG A 386 5.423 0.667 -2.915 1.00 0.42 O ATOM 378 CB ARG A 386 6.463 -0.016 -0.287 1.00 0.38 C ATOM 379 CG ARG A 386 7.803 -0.291 -0.952 1.00 0.50 C ATOM 380 CD ARG A 386 8.333 -1.670 -0.595 1.00 1.02 C ATOM 381 NE ARG A 386 9.553 -2.001 -1.331 1.00 1.40 N ATOM 382 CZ ARG A 386 10.700 -1.341 -1.200 1.00 1.86 C ATOM 383 NH1 ARG A 386 10.796 -0.329 -0.349 1.00 2.42 N ATOM 384 NH2 ARG A 386 11.756 -1.700 -1.917 1.00 2.39 N ATOM 0 H ARG A 386 3.991 0.569 -0.126 1.00 0.29 H new ATOM 0 HA ARG A 386 6.459 2.132 -0.198 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.586 -0.067 0.795 1.00 0.38 H new ATOM 0 HB3 ARG A 386 5.760 -0.801 -0.565 1.00 0.38 H new ATOM 0 HG2 ARG A 386 7.696 -0.211 -2.034 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.524 0.467 -0.646 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.533 -1.714 0.476 1.00 1.02 H new ATOM 0 HD3 ARG A 386 7.569 -2.417 -0.807 1.00 1.02 H new ATOM 0 HE ARG A 386 9.522 -2.784 -1.983 1.00 1.40 H new ATOM 0 HH11 ARG A 386 9.988 -0.053 0.209 1.00 2.42 H new ATOM 0 HH12 ARG A 386 11.678 0.174 -0.252 1.00 2.42 H new ATOM 0 HH21 ARG A 386 11.688 -2.482 -2.568 1.00 2.39 H new ATOM 0 HH22 ARG A 386 12.636 -1.194 -1.817 1.00 2.39 H new ATOM 398 N ARG A 387 6.478 2.630 -2.619 1.00 0.41 N ATOM 399 CA ARG A 387 6.584 2.899 -4.046 1.00 0.51 C ATOM 400 C ARG A 387 7.613 1.972 -4.683 1.00 0.49 C ATOM 401 O ARG A 387 8.482 1.435 -3.997 1.00 0.47 O ATOM 402 CB ARG A 387 6.947 4.362 -4.296 1.00 0.63 C ATOM 403 CG ARG A 387 5.826 5.328 -3.948 1.00 0.84 C ATOM 404 CD ARG A 387 6.214 6.767 -4.244 1.00 0.94 C ATOM 405 NE ARG A 387 6.618 6.948 -5.636 1.00 1.32 N ATOM 406 CZ ARG A 387 7.053 8.102 -6.136 1.00 1.79 C ATOM 407 NH1 ARG A 387 7.149 9.173 -5.359 1.00 2.30 N ATOM 408 NH2 ARG A 387 7.397 8.182 -7.414 1.00 2.25 N ATOM 0 H ARG A 387 6.880 3.351 -2.019 1.00 0.41 H new ATOM 0 HA ARG A 387 5.614 2.709 -4.506 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.830 4.615 -3.710 1.00 0.63 H new ATOM 0 HB3 ARG A 387 7.214 4.489 -5.345 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.932 5.068 -4.515 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.574 5.229 -2.892 1.00 0.84 H new ATOM 0 HD2 ARG A 387 5.372 7.423 -4.022 1.00 0.94 H new ATOM 0 HD3 ARG A 387 7.031 7.065 -3.587 1.00 0.94 H new ATOM 0 HE ARG A 387 6.564 6.144 -6.261 1.00 1.32 H new ATOM 0 HH11 ARG A 387 6.889 9.114 -4.374 1.00 2.30 H new ATOM 0 HH12 ARG A 387 7.483 10.056 -5.746 1.00 2.30 H new ATOM 0 HH21 ARG A 387 7.328 7.359 -8.013 1.00 2.25 H new ATOM 0 HH22 ARG A 387 7.730 9.066 -7.798 1.00 2.25 H new ATOM 422 N GLU A 388 7.498 1.776 -5.993 1.00 0.64 N ATOM 423 CA GLU A 388 8.410 0.898 -6.720 1.00 0.69 C ATOM 424 C GLU A 388 9.866 1.215 -6.391 1.00 0.61 C ATOM 425 O GLU A 388 10.684 0.310 -6.226 1.00 0.63 O ATOM 426 CB GLU A 388 8.177 1.027 -8.227 1.00 0.88 C ATOM 427 CG GLU A 388 6.761 0.677 -8.655 1.00 1.58 C ATOM 428 CD GLU A 388 6.556 0.808 -10.152 1.00 2.20 C ATOM 429 OE1 GLU A 388 7.258 0.108 -10.910 1.00 2.82 O ATOM 430 OE2 GLU A 388 5.696 1.615 -10.565 1.00 2.65 O ATOM 0 H GLU A 388 6.782 2.213 -6.573 1.00 0.64 H new ATOM 0 HA GLU A 388 8.207 -0.127 -6.409 1.00 0.69 H new ATOM 0 HB2 GLU A 388 8.399 2.049 -8.534 1.00 0.88 H new ATOM 0 HB3 GLU A 388 8.878 0.377 -8.752 1.00 0.88 H new ATOM 0 HG2 GLU A 388 6.535 -0.344 -8.349 1.00 1.58 H new ATOM 0 HG3 GLU A 388 6.057 1.328 -8.137 1.00 1.58 H new ATOM 437 N ASP A 389 10.187 2.502 -6.297 1.00 0.65 N ATOM 438 CA ASP A 389 11.548 2.925 -5.989 1.00 0.69 C ATOM 439 C ASP A 389 11.913 2.629 -4.534 1.00 0.64 C ATOM 440 O ASP A 389 13.055 2.277 -4.237 1.00 0.91 O ATOM 441 CB ASP A 389 11.722 4.418 -6.279 1.00 0.81 C ATOM 442 CG ASP A 389 10.736 5.279 -5.515 1.00 0.80 C ATOM 443 OD1 ASP A 389 9.516 5.113 -5.725 1.00 1.06 O ATOM 444 OD2 ASP A 389 11.184 6.121 -4.711 1.00 1.23 O ATOM 0 H ASP A 389 9.526 3.267 -6.429 1.00 0.65 H new ATOM 0 HA ASP A 389 12.222 2.355 -6.628 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.737 4.719 -6.021 1.00 0.81 H new ATOM 0 HB3 ASP A 389 11.600 4.593 -7.348 1.00 0.81 H new ATOM 449 N GLY A 390 10.945 2.771 -3.631 1.00 0.55 N ATOM 450 CA GLY A 390 11.206 2.510 -2.224 1.00 0.53 C ATOM 451 C GLY A 390 10.586 3.549 -1.308 1.00 0.55 C ATOM 452 O GLY A 390 10.266 3.259 -0.155 1.00 1.03 O ATOM 0 H GLY A 390 9.991 3.060 -3.846 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.818 1.525 -1.964 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.283 2.482 -2.058 1.00 0.53 H new ATOM 456 N THR A 391 10.430 4.768 -1.819 1.00 0.57 N ATOM 457 CA THR A 391 9.860 5.861 -1.037 1.00 0.54 C ATOM 458 C THR A 391 8.455 5.530 -0.545 1.00 0.41 C ATOM 459 O THR A 391 7.513 5.424 -1.332 1.00 0.44 O ATOM 460 CB THR A 391 9.814 7.171 -1.846 1.00 0.71 C ATOM 461 OG1 THR A 391 9.099 6.969 -3.071 1.00 0.98 O ATOM 462 CG2 THR A 391 11.219 7.672 -2.147 1.00 0.88 C ATOM 0 H THR A 391 10.691 5.023 -2.772 1.00 0.57 H new ATOM 0 HA THR A 391 10.514 5.996 -0.176 1.00 0.54 H new ATOM 0 HB THR A 391 9.299 7.922 -1.247 1.00 0.71 H new ATOM 0 HG1 THR A 391 9.724 6.692 -3.773 1.00 0.98 H new ATOM 0 HG21 THR A 391 11.160 8.598 -2.719 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.748 7.856 -1.212 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.757 6.921 -2.726 1.00 0.88 H new ATOM 470 N VAL A 392 8.329 5.368 0.769 1.00 0.37 N ATOM 471 CA VAL A 392 7.049 5.053 1.391 1.00 0.33 C ATOM 472 C VAL A 392 6.244 6.325 1.655 1.00 0.32 C ATOM 473 O VAL A 392 6.803 7.353 2.037 1.00 0.41 O ATOM 474 CB VAL A 392 7.252 4.287 2.714 1.00 0.45 C ATOM 475 CG1 VAL A 392 5.919 3.973 3.370 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.036 3.007 2.473 1.00 0.52 C ATOM 0 H VAL A 392 9.104 5.451 1.427 1.00 0.37 H new ATOM 0 HA VAL A 392 6.495 4.420 0.698 1.00 0.33 H new ATOM 0 HB VAL A 392 7.822 4.925 3.389 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.090 3.433 4.301 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.390 4.902 3.582 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.319 3.359 2.699 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.170 2.479 3.417 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.490 2.371 1.776 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.011 3.251 2.052 1.00 0.52 H new ATOM 486 N HIS A 393 4.931 6.251 1.444 1.00 0.29 N ATOM 487 CA HIS A 393 4.054 7.403 1.653 1.00 0.31 C ATOM 488 C HIS A 393 2.688 6.970 2.178 1.00 0.27 C ATOM 489 O HIS A 393 2.136 5.959 1.748 1.00 0.26 O ATOM 490 CB HIS A 393 3.887 8.187 0.351 1.00 0.37 C ATOM 491 CG HIS A 393 5.164 8.775 -0.161 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.901 9.704 0.543 1.00 1.92 N ATOM 493 CD2 HIS A 393 5.839 8.559 -1.315 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.972 10.035 -0.156 1.00 2.43 C ATOM 495 NE2 HIS A 393 6.959 9.355 -1.287 1.00 1.82 N ATOM 0 H HIS A 393 4.451 5.408 1.129 1.00 0.29 H new ATOM 0 HA HIS A 393 4.519 8.045 2.401 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.470 7.527 -0.410 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.165 8.988 0.509 1.00 0.37 H new ATOM 0 HD2 HIS A 393 5.551 7.886 -2.109 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.730 10.742 0.147 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.665 9.411 -2.021 1.00 1.82 H new ATOM 504 N ARG A 394 2.157 7.746 3.119 1.00 0.29 N ATOM 505 CA ARG A 394 0.860 7.458 3.727 1.00 0.28 C ATOM 506 C ARG A 394 -0.247 7.321 2.681 1.00 0.26 C ATOM 507 O ARG A 394 -0.181 7.910 1.602 1.00 0.32 O ATOM 508 CB ARG A 394 0.492 8.550 4.730 1.00 0.35 C ATOM 509 CG ARG A 394 1.457 8.657 5.900 1.00 0.42 C ATOM 510 CD ARG A 394 1.081 9.796 6.833 1.00 0.52 C ATOM 511 NE ARG A 394 1.139 11.093 6.164 1.00 1.34 N ATOM 512 CZ ARG A 394 0.852 12.246 6.759 1.00 2.01 C ATOM 513 NH1 ARG A 394 0.477 12.266 8.031 1.00 2.41 N ATOM 514 NH2 ARG A 394 0.940 13.383 6.082 1.00 2.96 N ATOM 0 H ARG A 394 2.609 8.586 3.480 1.00 0.29 H new ATOM 0 HA ARG A 394 0.950 6.502 4.243 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.455 9.509 4.212 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.510 8.356 5.113 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.463 7.719 6.454 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.469 8.812 5.525 1.00 0.42 H new ATOM 0 HD2 ARG A 394 0.075 9.632 7.219 1.00 0.52 H new ATOM 0 HD3 ARG A 394 1.754 9.800 7.690 1.00 0.52 H new ATOM 0 HE ARG A 394 1.416 11.115 5.183 1.00 1.34 H new ATOM 0 HH11 ARG A 394 0.408 11.394 8.556 1.00 2.41 H new ATOM 0 HH12 ARG A 394 0.258 13.153 8.484 1.00 2.41 H new ATOM 0 HH21 ARG A 394 1.228 13.373 5.104 1.00 2.96 H new ATOM 0 HH22 ARG A 394 0.719 14.267 6.540 1.00 2.96 H new ATOM 528 N GLY A 395 -1.266 6.532 3.024 1.00 0.23 N ATOM 529 CA GLY A 395 -2.390 6.307 2.130 1.00 0.25 C ATOM 530 C GLY A 395 -3.438 5.397 2.755 1.00 0.23 C ATOM 531 O GLY A 395 -3.113 4.315 3.244 1.00 0.26 O ATOM 0 H GLY A 395 -1.331 6.041 3.915 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.846 7.263 1.872 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -2.032 5.864 1.201 1.00 0.25 H new ATOM 535 N GLN A 396 -4.692 5.841 2.750 1.00 0.29 N ATOM 536 CA GLN A 396 -5.789 5.067 3.332 1.00 0.34 C ATOM 537 C GLN A 396 -6.353 4.036 2.357 1.00 0.35 C ATOM 538 O GLN A 396 -6.688 4.362 1.219 1.00 0.46 O ATOM 539 CB GLN A 396 -6.913 6.004 3.776 1.00 0.43 C ATOM 540 CG GLN A 396 -6.544 6.897 4.950 1.00 0.50 C ATOM 541 CD GLN A 396 -7.671 7.832 5.342 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.816 7.410 5.495 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.346 9.105 5.525 1.00 0.61 N ATOM 0 H GLN A 396 -4.976 6.735 2.349 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.381 4.531 4.189 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.204 6.631 2.933 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.784 5.408 4.046 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -6.277 6.276 5.805 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.662 7.483 4.694 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -6.383 9.410 5.387 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.059 9.778 5.804 1.00 0.61 H new ATOM 552 N VAL A 397 -6.491 2.796 2.825 1.00 0.33 N ATOM 553 CA VAL A 397 -7.055 1.730 2.003 1.00 0.33 C ATOM 554 C VAL A 397 -8.578 1.810 2.038 1.00 0.33 C ATOM 555 O VAL A 397 -9.165 1.997 3.104 1.00 0.37 O ATOM 556 CB VAL A 397 -6.614 0.334 2.487 1.00 0.38 C ATOM 557 CG1 VAL A 397 -6.948 -0.728 1.452 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.132 0.321 2.821 1.00 0.83 C ATOM 0 H VAL A 397 -6.221 2.507 3.765 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.687 1.868 0.986 1.00 0.33 H new ATOM 0 HB VAL A 397 -7.166 0.101 3.398 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.627 -1.704 1.816 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -8.024 -0.741 1.278 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.432 -0.501 0.519 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.844 -0.674 3.160 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.557 0.582 1.933 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.930 1.046 3.610 1.00 0.83 H new ATOM 568 N LEU A 398 -9.219 1.694 0.880 1.00 0.36 N ATOM 569 CA LEU A 398 -10.675 1.784 0.816 1.00 0.40 C ATOM 570 C LEU A 398 -11.314 0.520 0.240 1.00 0.41 C ATOM 571 O LEU A 398 -12.334 0.052 0.746 1.00 0.47 O ATOM 572 CB LEU A 398 -11.088 3.000 -0.016 1.00 0.46 C ATOM 573 CG LEU A 398 -10.585 4.347 0.512 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.009 5.477 -0.415 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.097 4.594 1.923 1.00 1.45 C ATOM 0 H LEU A 398 -8.761 1.539 -0.018 1.00 0.36 H new ATOM 0 HA LEU A 398 -11.036 1.893 1.839 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -10.722 2.866 -1.034 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.176 3.032 -0.070 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.496 4.318 0.542 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.642 6.426 -0.023 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.592 5.309 -1.408 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.097 5.507 -0.479 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.729 5.556 2.280 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.187 4.602 1.918 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.742 3.802 2.583 1.00 1.45 H new ATOM 587 N GLN A 399 -10.730 -0.017 -0.827 1.00 0.39 N ATOM 588 CA GLN A 399 -11.273 -1.212 -1.470 1.00 0.43 C ATOM 589 C GLN A 399 -10.182 -2.227 -1.793 1.00 0.38 C ATOM 590 O GLN A 399 -8.998 -1.974 -1.583 1.00 0.35 O ATOM 591 CB GLN A 399 -12.017 -0.831 -2.751 1.00 0.49 C ATOM 592 CG GLN A 399 -13.246 0.029 -2.510 1.00 0.60 C ATOM 593 CD GLN A 399 -14.310 -0.684 -1.698 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.804 -1.739 -2.093 1.00 2.08 O ATOM 595 NE2 GLN A 399 -14.670 -0.108 -0.556 1.00 2.04 N ATOM 0 H GLN A 399 -9.886 0.353 -1.264 1.00 0.39 H new ATOM 0 HA GLN A 399 -11.966 -1.675 -0.767 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.334 -0.297 -3.412 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.317 -1.741 -3.271 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -12.950 0.941 -1.992 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -13.668 0.330 -3.469 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -14.234 0.767 -0.267 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -15.382 -0.541 0.031 1.00 2.04 H new ATOM 604 N SER A 400 -10.602 -3.383 -2.305 1.00 0.42 N ATOM 605 CA SER A 400 -9.675 -4.451 -2.662 1.00 0.41 C ATOM 606 C SER A 400 -10.367 -5.494 -3.539 1.00 0.47 C ATOM 607 O SER A 400 -11.548 -5.790 -3.347 1.00 0.54 O ATOM 608 CB SER A 400 -9.113 -5.113 -1.404 1.00 0.47 C ATOM 609 OG SER A 400 -10.143 -5.719 -0.642 1.00 0.56 O ATOM 0 H SER A 400 -11.582 -3.602 -2.482 1.00 0.42 H new ATOM 0 HA SER A 400 -8.852 -4.013 -3.226 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.374 -5.864 -1.684 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.597 -4.369 -0.797 1.00 0.47 H new ATOM 0 HG SER A 400 -9.757 -6.137 0.156 1.00 0.56 H new ATOM 615 N ARG A 401 -9.632 -6.042 -4.504 1.00 0.51 N ATOM 616 CA ARG A 401 -10.188 -7.046 -5.407 1.00 0.60 C ATOM 617 C ARG A 401 -9.108 -8.004 -5.906 1.00 0.73 C ATOM 618 O ARG A 401 -8.018 -7.583 -6.293 1.00 0.86 O ATOM 619 CB ARG A 401 -10.864 -6.364 -6.599 1.00 0.65 C ATOM 620 CG ARG A 401 -9.910 -5.545 -7.451 1.00 0.72 C ATOM 621 CD ARG A 401 -10.636 -4.839 -8.583 1.00 0.91 C ATOM 622 NE ARG A 401 -9.726 -4.043 -9.403 1.00 1.02 N ATOM 623 CZ ARG A 401 -10.118 -3.317 -10.445 1.00 1.25 C ATOM 624 NH1 ARG A 401 -11.397 -3.282 -10.789 1.00 1.55 N ATOM 625 NH2 ARG A 401 -9.229 -2.623 -11.143 1.00 1.43 N ATOM 0 H ARG A 401 -8.655 -5.809 -4.680 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.926 -7.624 -4.851 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.334 -7.124 -7.223 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.659 -5.715 -6.233 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -9.405 -4.808 -6.827 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -9.139 -6.196 -7.863 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -11.137 -5.577 -9.209 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -11.411 -4.193 -8.170 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.735 -4.044 -9.163 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -12.084 -3.813 -10.254 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -11.695 -2.724 -11.589 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -8.244 -2.646 -10.880 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -9.531 -2.066 -11.943 1.00 1.43 H new ATOM 639 N THR A 402 -9.425 -9.295 -5.892 1.00 0.82 N ATOM 640 CA THR A 402 -8.494 -10.323 -6.341 1.00 0.99 C ATOM 641 C THR A 402 -8.524 -10.486 -7.859 1.00 1.16 C ATOM 642 O THR A 402 -8.516 -11.605 -8.371 1.00 1.79 O ATOM 643 CB THR A 402 -8.807 -11.679 -5.680 1.00 1.14 C ATOM 644 OG1 THR A 402 -10.201 -11.981 -5.812 1.00 1.38 O ATOM 645 CG2 THR A 402 -8.417 -11.664 -4.210 1.00 1.29 C ATOM 0 H THR A 402 -10.324 -9.655 -5.573 1.00 0.82 H new ATOM 0 HA THR A 402 -7.497 -9.997 -6.044 1.00 0.99 H new ATOM 0 HB THR A 402 -8.224 -12.449 -6.185 1.00 1.14 H new ATOM 0 HG1 THR A 402 -10.390 -12.845 -5.390 1.00 1.38 H new ATOM 0 HG21 THR A 402 -8.647 -12.631 -3.763 1.00 1.29 H new ATOM 0 HG22 THR A 402 -7.349 -11.466 -4.119 1.00 1.29 H new ATOM 0 HG23 THR A 402 -8.976 -10.884 -3.693 1.00 1.29 H new ATOM 653 N THR A 403 -8.551 -9.362 -8.570 1.00 1.43 N ATOM 654 CA THR A 403 -8.579 -9.368 -10.032 1.00 1.62 C ATOM 655 C THR A 403 -9.692 -10.288 -10.554 1.00 1.84 C ATOM 656 O THR A 403 -10.493 -10.808 -9.776 1.00 1.85 O ATOM 657 CB THR A 403 -7.216 -9.806 -10.609 1.00 1.77 C ATOM 658 OG1 THR A 403 -6.161 -9.224 -9.838 1.00 1.78 O ATOM 659 CG2 THR A 403 -7.059 -9.371 -12.060 1.00 1.95 C ATOM 0 H THR A 403 -8.554 -8.430 -8.156 1.00 1.43 H new ATOM 0 HA THR A 403 -8.784 -8.350 -10.363 1.00 1.62 H new ATOM 0 HB THR A 403 -7.169 -10.894 -10.564 1.00 1.77 H new ATOM 0 HG1 THR A 403 -5.333 -9.227 -10.362 1.00 1.78 H new ATOM 0 HG21 THR A 403 -6.088 -9.696 -12.434 1.00 1.95 H new ATOM 0 HG22 THR A 403 -7.849 -9.820 -12.662 1.00 1.95 H new ATOM 0 HG23 THR A 403 -7.128 -8.285 -12.124 1.00 1.95 H new ATOM 667 N GLU A 404 -9.748 -10.478 -11.868 1.00 2.08 N ATOM 668 CA GLU A 404 -10.766 -11.327 -12.480 1.00 2.34 C ATOM 669 C GLU A 404 -10.594 -12.787 -12.061 1.00 2.30 C ATOM 670 O GLU A 404 -11.571 -13.476 -11.766 1.00 2.37 O ATOM 671 CB GLU A 404 -10.702 -11.216 -14.004 1.00 2.72 C ATOM 672 CG GLU A 404 -10.910 -9.803 -14.521 1.00 2.91 C ATOM 673 CD GLU A 404 -10.839 -9.717 -16.034 1.00 3.42 C ATOM 674 OE1 GLU A 404 -10.622 -10.764 -16.680 1.00 3.79 O ATOM 675 OE2 GLU A 404 -11.000 -8.602 -16.574 1.00 3.87 O ATOM 0 H GLU A 404 -9.099 -10.055 -12.532 1.00 2.08 H new ATOM 0 HA GLU A 404 -11.740 -10.983 -12.133 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -9.733 -11.580 -14.346 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -11.459 -11.868 -14.439 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -11.880 -9.437 -14.185 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -10.155 -9.147 -14.088 1.00 2.91 H new ATOM 682 N ASN A 405 -9.348 -13.253 -12.052 1.00 2.26 N ATOM 683 CA ASN A 405 -9.043 -14.635 -11.687 1.00 2.30 C ATOM 684 C ASN A 405 -9.562 -14.964 -10.287 1.00 2.07 C ATOM 685 O ASN A 405 -10.268 -15.955 -10.097 1.00 2.40 O ATOM 686 CB ASN A 405 -7.534 -14.876 -11.761 1.00 2.43 C ATOM 687 CG ASN A 405 -7.161 -16.321 -11.492 1.00 2.67 C ATOM 688 OD1 ASN A 405 -7.649 -17.235 -12.158 1.00 3.16 O ATOM 689 ND2 ASN A 405 -6.283 -16.534 -10.519 1.00 2.73 N ATOM 0 H ASN A 405 -8.531 -12.693 -12.294 1.00 2.26 H new ATOM 0 HA ASN A 405 -9.546 -15.293 -12.396 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -7.172 -14.589 -12.748 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -7.031 -14.234 -11.038 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -5.987 -17.485 -10.298 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -5.904 -15.747 -9.993 1.00 2.73 H new ATOM 696 N ALA A 406 -9.216 -14.121 -9.317 1.00 1.82 N ATOM 697 CA ALA A 406 -9.655 -14.313 -7.935 1.00 1.67 C ATOM 698 C ALA A 406 -9.264 -15.689 -7.401 1.00 1.85 C ATOM 699 O ALA A 406 -10.122 -16.507 -7.068 1.00 2.18 O ATOM 700 CB ALA A 406 -11.155 -14.102 -7.822 1.00 1.72 C ATOM 0 H ALA A 406 -8.632 -13.297 -9.462 1.00 1.82 H new ATOM 0 HA ALA A 406 -9.147 -13.569 -7.321 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -11.466 -14.248 -6.788 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -11.405 -13.088 -8.136 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -11.672 -14.818 -8.461 1.00 1.72 H new ATOM 706 N ALA A 407 -7.961 -15.930 -7.315 1.00 1.91 N ATOM 707 CA ALA A 407 -7.439 -17.196 -6.814 1.00 2.19 C ATOM 708 C ALA A 407 -5.990 -17.028 -6.382 1.00 2.37 C ATOM 709 O ALA A 407 -5.301 -17.995 -6.059 1.00 2.77 O ATOM 710 CB ALA A 407 -7.551 -18.271 -7.883 1.00 2.38 C ATOM 0 H ALA A 407 -7.242 -15.260 -7.588 1.00 1.91 H new ATOM 0 HA ALA A 407 -8.029 -17.503 -5.950 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -7.158 -19.211 -7.496 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -8.597 -18.402 -8.159 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -6.978 -17.972 -8.761 1.00 2.38 H new ATOM 716 N ALA A 408 -5.550 -15.777 -6.387 1.00 2.15 N ATOM 717 CA ALA A 408 -4.193 -15.410 -6.007 1.00 2.35 C ATOM 718 C ALA A 408 -4.008 -13.897 -6.126 1.00 2.05 C ATOM 719 O ALA A 408 -3.519 -13.252 -5.199 1.00 1.99 O ATOM 720 CB ALA A 408 -3.169 -16.145 -6.864 1.00 2.76 C ATOM 0 H ALA A 408 -6.130 -14.982 -6.657 1.00 2.15 H new ATOM 0 HA ALA A 408 -4.033 -15.704 -4.970 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -2.164 -15.853 -6.560 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -3.290 -17.220 -6.733 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -3.320 -15.888 -7.912 1.00 2.76 H new ATOM 726 N PRO A 409 -4.410 -13.302 -7.273 1.00 1.99 N ATOM 727 CA PRO A 409 -4.294 -11.857 -7.497 1.00 1.80 C ATOM 728 C PRO A 409 -5.062 -11.051 -6.463 1.00 1.41 C ATOM 729 O PRO A 409 -5.943 -11.578 -5.793 1.00 1.86 O ATOM 730 CB PRO A 409 -4.892 -11.650 -8.892 1.00 2.10 C ATOM 731 CG PRO A 409 -4.824 -12.985 -9.544 1.00 2.49 C ATOM 732 CD PRO A 409 -5.011 -13.981 -8.439 1.00 2.27 C ATOM 0 HA PRO A 409 -3.261 -11.519 -7.415 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -5.920 -11.293 -8.831 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -4.329 -10.906 -9.456 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -5.599 -13.091 -10.303 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -3.866 -13.129 -10.044 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -6.064 -14.208 -8.275 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -4.512 -14.925 -8.658 1.00 2.27 H new ATOM 740 N ASP A 410 -4.711 -9.773 -6.337 1.00 0.92 N ATOM 741 CA ASP A 410 -5.363 -8.883 -5.381 1.00 0.79 C ATOM 742 C ASP A 410 -4.742 -7.489 -5.418 1.00 0.68 C ATOM 743 O ASP A 410 -3.528 -7.340 -5.557 1.00 0.93 O ATOM 744 CB ASP A 410 -5.286 -9.460 -3.964 1.00 1.18 C ATOM 745 CG ASP A 410 -3.872 -9.835 -3.564 1.00 1.62 C ATOM 746 OD1 ASP A 410 -3.004 -8.938 -3.541 1.00 2.14 O ATOM 747 OD2 ASP A 410 -3.633 -11.026 -3.273 1.00 1.99 O ATOM 0 H ASP A 410 -3.976 -9.330 -6.888 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.412 -8.798 -5.666 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -5.678 -8.730 -3.256 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -5.924 -10.341 -3.899 1.00 1.18 H new ATOM 752 N GLU A 411 -5.589 -6.470 -5.291 1.00 0.54 N ATOM 753 CA GLU A 411 -5.137 -5.082 -5.305 1.00 0.45 C ATOM 754 C GLU A 411 -5.939 -4.255 -4.307 1.00 0.40 C ATOM 755 O GLU A 411 -7.161 -4.373 -4.236 1.00 0.42 O ATOM 756 CB GLU A 411 -5.282 -4.485 -6.707 1.00 0.49 C ATOM 757 CG GLU A 411 -4.449 -5.194 -7.764 1.00 0.58 C ATOM 758 CD GLU A 411 -4.614 -4.587 -9.145 1.00 1.47 C ATOM 759 OE1 GLU A 411 -5.381 -3.611 -9.276 1.00 2.10 O ATOM 760 OE2 GLU A 411 -3.975 -5.088 -10.095 1.00 2.08 O ATOM 0 H GLU A 411 -6.596 -6.581 -5.177 1.00 0.54 H new ATOM 0 HA GLU A 411 -4.085 -5.061 -5.021 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.331 -4.520 -7.000 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.995 -3.434 -6.676 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.398 -5.156 -7.478 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -4.732 -6.246 -7.798 1.00 0.58 H new ATOM 767 N TYR A 412 -5.248 -3.430 -3.527 1.00 0.38 N ATOM 768 CA TYR A 412 -5.909 -2.602 -2.523 1.00 0.35 C ATOM 769 C TYR A 412 -5.890 -1.130 -2.914 1.00 0.33 C ATOM 770 O TYR A 412 -4.828 -0.550 -3.138 1.00 0.34 O ATOM 771 CB TYR A 412 -5.234 -2.770 -1.154 1.00 0.39 C ATOM 772 CG TYR A 412 -5.284 -4.181 -0.597 1.00 0.45 C ATOM 773 CD1 TYR A 412 -4.881 -5.270 -1.361 1.00 0.50 C ATOM 774 CD2 TYR A 412 -5.728 -4.421 0.700 1.00 0.53 C ATOM 775 CE1 TYR A 412 -4.922 -6.552 -0.855 1.00 0.58 C ATOM 776 CE2 TYR A 412 -5.770 -5.704 1.214 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.366 -6.763 0.431 1.00 0.62 C ATOM 778 OH TYR A 412 -5.406 -8.037 0.936 1.00 0.72 O ATOM 0 H TYR A 412 -4.235 -3.317 -3.570 1.00 0.38 H new ATOM 0 HA TYR A 412 -6.945 -2.934 -2.462 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.192 -2.462 -1.237 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -5.710 -2.095 -0.443 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.529 -5.109 -2.369 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.045 -3.592 1.315 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.607 -7.386 -1.464 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -6.117 -5.875 2.222 1.00 0.61 H new ATOM 0 HH TYR A 412 -5.561 -8.001 1.903 1.00 0.72 H new ATOM 788 N TYR A 413 -7.071 -0.528 -2.970 1.00 0.33 N ATOM 789 CA TYR A 413 -7.196 0.883 -3.306 1.00 0.32 C ATOM 790 C TYR A 413 -6.572 1.728 -2.206 1.00 0.32 C ATOM 791 O TYR A 413 -6.758 1.444 -1.023 1.00 0.40 O ATOM 792 CB TYR A 413 -8.670 1.254 -3.477 1.00 0.36 C ATOM 793 CG TYR A 413 -8.899 2.674 -3.955 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.034 3.275 -4.864 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.981 3.414 -3.493 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.243 4.570 -5.298 1.00 0.44 C ATOM 797 CE2 TYR A 413 -10.195 4.710 -3.924 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.323 5.282 -4.825 1.00 0.46 C ATOM 799 OH TYR A 413 -9.533 6.573 -5.255 1.00 0.51 O ATOM 0 H TYR A 413 -7.958 -0.997 -2.786 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.675 1.074 -4.244 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.127 0.565 -4.187 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.181 1.116 -2.524 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.185 2.720 -5.236 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.666 2.969 -2.786 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.563 5.022 -6.005 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -11.041 5.271 -3.556 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.338 6.933 -4.827 1.00 0.51 H new ATOM 809 N VAL A 414 -5.825 2.758 -2.585 1.00 0.33 N ATOM 810 CA VAL A 414 -5.182 3.612 -1.597 1.00 0.33 C ATOM 811 C VAL A 414 -5.328 5.092 -1.931 1.00 0.29 C ATOM 812 O VAL A 414 -5.175 5.504 -3.081 1.00 0.38 O ATOM 813 CB VAL A 414 -3.687 3.275 -1.450 1.00 0.39 C ATOM 814 CG1 VAL A 414 -2.960 3.451 -2.772 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.054 4.131 -0.368 1.00 1.15 C ATOM 0 H VAL A 414 -5.652 3.019 -3.556 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.692 3.417 -0.653 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.599 2.229 -1.156 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -1.906 3.207 -2.643 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.397 2.788 -3.519 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.055 4.485 -3.105 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -1.997 3.880 -0.277 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.156 5.184 -0.631 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.554 3.945 0.582 1.00 1.15 H new ATOM 825 N HIS A 415 -5.613 5.881 -0.902 1.00 0.33 N ATOM 826 CA HIS A 415 -5.769 7.321 -1.052 1.00 0.32 C ATOM 827 C HIS A 415 -4.718 8.039 -0.213 1.00 0.32 C ATOM 828 O HIS A 415 -4.791 8.035 1.014 1.00 0.34 O ATOM 829 CB HIS A 415 -7.170 7.748 -0.606 1.00 0.37 C ATOM 830 CG HIS A 415 -7.483 9.181 -0.893 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.441 9.722 -2.160 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.851 10.187 -0.068 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.768 10.999 -2.103 1.00 0.60 C ATOM 834 NE2 HIS A 415 -8.022 11.307 -0.845 1.00 0.62 N ATOM 0 H HIS A 415 -5.741 5.544 0.052 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.637 7.586 -2.101 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.907 7.118 -1.103 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.270 7.571 0.465 1.00 0.37 H new ATOM 0 HD2 HIS A 415 -7.985 10.122 1.002 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.819 11.677 -2.942 1.00 0.60 H new ATOM 0 HE2 HIS A 415 -8.300 12.227 -0.505 1.00 0.62 H new ATOM 843 N TYR A 416 -3.736 8.644 -0.874 1.00 0.37 N ATOM 844 CA TYR A 416 -2.676 9.347 -0.164 1.00 0.40 C ATOM 845 C TYR A 416 -3.258 10.409 0.759 1.00 0.45 C ATOM 846 O TYR A 416 -4.059 11.247 0.343 1.00 0.57 O ATOM 847 CB TYR A 416 -1.678 9.955 -1.150 1.00 0.46 C ATOM 848 CG TYR A 416 -0.963 8.912 -1.979 1.00 0.47 C ATOM 849 CD1 TYR A 416 0.228 8.347 -1.539 1.00 0.51 C ATOM 850 CD2 TYR A 416 -1.478 8.492 -3.198 1.00 0.53 C ATOM 851 CE1 TYR A 416 0.887 7.392 -2.292 1.00 0.54 C ATOM 852 CE2 TYR A 416 -0.827 7.537 -3.956 1.00 0.59 C ATOM 853 CZ TYR A 416 0.355 6.991 -3.498 1.00 0.57 C ATOM 854 OH TYR A 416 1.005 6.039 -4.251 1.00 0.65 O ATOM 0 H TYR A 416 -3.653 8.661 -1.890 1.00 0.37 H new ATOM 0 HA TYR A 416 -2.139 8.627 0.454 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -2.203 10.642 -1.813 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.942 10.542 -0.600 1.00 0.46 H new ATOM 0 HD1 TYR A 416 0.646 8.659 -0.593 1.00 0.51 H new ATOM 0 HD2 TYR A 416 -2.402 8.918 -3.560 1.00 0.53 H new ATOM 0 HE1 TYR A 416 1.813 6.963 -1.937 1.00 0.54 H new ATOM 0 HE2 TYR A 416 -1.241 7.220 -4.902 1.00 0.59 H new ATOM 0 HH TYR A 416 0.497 5.868 -5.072 1.00 0.65 H new ATOM 864 N VAL A 417 -2.867 10.338 2.025 1.00 0.45 N ATOM 865 CA VAL A 417 -3.356 11.256 3.047 1.00 0.55 C ATOM 866 C VAL A 417 -2.653 12.607 2.978 1.00 0.66 C ATOM 867 O VAL A 417 -2.521 13.302 3.986 1.00 1.34 O ATOM 868 CB VAL A 417 -3.148 10.646 4.445 1.00 0.68 C ATOM 869 CG1 VAL A 417 -4.103 11.252 5.464 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.308 9.139 4.374 1.00 1.01 C ATOM 0 H VAL A 417 -2.204 9.645 2.372 1.00 0.45 H new ATOM 0 HA VAL A 417 -4.418 11.415 2.862 1.00 0.55 H new ATOM 0 HB VAL A 417 -2.136 10.878 4.778 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -3.929 10.799 6.440 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -3.933 12.327 5.527 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -5.131 11.065 5.155 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.160 8.710 5.365 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.310 8.896 4.019 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -2.569 8.727 3.687 1.00 1.01 H new ATOM 880 N GLY A 418 -2.207 12.979 1.784 1.00 0.71 N ATOM 881 CA GLY A 418 -1.528 14.255 1.624 1.00 0.82 C ATOM 882 C GLY A 418 -0.934 14.463 0.243 1.00 0.72 C ATOM 883 O GLY A 418 -0.936 15.580 -0.273 1.00 0.76 O ATOM 0 H GLY A 418 -2.301 12.428 0.931 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.233 15.060 1.831 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.733 14.329 2.366 1.00 0.82 H new ATOM 887 N LEU A 419 -0.400 13.397 -0.346 1.00 0.66 N ATOM 888 CA LEU A 419 0.225 13.488 -1.665 1.00 0.60 C ATOM 889 C LEU A 419 -0.761 13.925 -2.749 1.00 0.59 C ATOM 890 O LEU A 419 -1.859 14.402 -2.462 1.00 0.76 O ATOM 891 CB LEU A 419 0.860 12.149 -2.056 1.00 0.58 C ATOM 892 CG LEU A 419 2.110 11.755 -1.264 1.00 0.78 C ATOM 893 CD1 LEU A 419 1.753 11.390 0.169 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.828 10.605 -1.953 1.00 1.40 C ATOM 0 H LEU A 419 -0.386 12.464 0.065 1.00 0.66 H new ATOM 0 HA LEU A 419 0.999 14.252 -1.592 1.00 0.60 H new ATOM 0 HB2 LEU A 419 0.113 11.364 -1.936 1.00 0.58 H new ATOM 0 HB3 LEU A 419 1.118 12.185 -3.114 1.00 0.58 H new ATOM 0 HG LEU A 419 2.782 12.613 -1.231 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.658 11.114 0.710 1.00 1.60 H new ATOM 0 HD12 LEU A 419 1.285 12.245 0.657 1.00 1.60 H new ATOM 0 HD13 LEU A 419 1.060 10.549 0.168 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.715 10.334 -1.380 1.00 1.40 H new ATOM 0 HD22 LEU A 419 2.161 9.745 -2.017 1.00 1.40 H new ATOM 0 HD23 LEU A 419 3.124 10.910 -2.957 1.00 1.40 H new ATOM 906 N ASN A 420 -0.338 13.761 -4.001 1.00 0.61 N ATOM 907 CA ASN A 420 -1.141 14.135 -5.161 1.00 0.63 C ATOM 908 C ASN A 420 -2.426 13.315 -5.253 1.00 0.56 C ATOM 909 O ASN A 420 -2.454 12.143 -4.880 1.00 0.56 O ATOM 910 CB ASN A 420 -0.314 13.946 -6.432 1.00 0.75 C ATOM 911 CG ASN A 420 0.939 14.800 -6.442 1.00 1.57 C ATOM 912 OD1 ASN A 420 1.789 14.685 -5.559 1.00 2.53 O ATOM 913 ND2 ASN A 420 1.062 15.661 -7.445 1.00 1.98 N ATOM 0 H ASN A 420 0.571 13.365 -4.239 1.00 0.61 H new ATOM 0 HA ASN A 420 -1.426 15.181 -5.050 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -0.035 12.897 -6.528 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -0.926 14.194 -7.300 1.00 0.75 H new ATOM 0 HD21 ASN A 420 1.885 16.260 -7.505 1.00 1.98 H new ATOM 0 HD22 ASN A 420 0.333 15.724 -8.156 1.00 1.98 H new ATOM 920 N ARG A 421 -3.489 13.942 -5.760 1.00 0.62 N ATOM 921 CA ARG A 421 -4.775 13.267 -5.907 1.00 0.67 C ATOM 922 C ARG A 421 -4.733 12.256 -7.050 1.00 0.66 C ATOM 923 O ARG A 421 -5.241 11.143 -6.922 1.00 0.69 O ATOM 924 CB ARG A 421 -5.887 14.288 -6.156 1.00 0.87 C ATOM 925 CG ARG A 421 -6.071 15.278 -5.018 1.00 1.09 C ATOM 926 CD ARG A 421 -7.215 16.238 -5.297 1.00 1.51 C ATOM 927 NE ARG A 421 -8.480 15.535 -5.489 1.00 2.25 N ATOM 928 CZ ARG A 421 -9.632 16.147 -5.752 1.00 3.00 C ATOM 929 NH1 ARG A 421 -9.678 17.468 -5.854 1.00 3.28 N ATOM 930 NH2 ARG A 421 -10.739 15.435 -5.914 1.00 3.98 N ATOM 0 H ARG A 421 -3.483 14.912 -6.074 1.00 0.62 H new ATOM 0 HA ARG A 421 -4.983 12.733 -4.980 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -5.666 14.837 -7.072 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.825 13.758 -6.320 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.265 14.738 -4.092 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -5.149 15.841 -4.871 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -7.311 16.939 -4.468 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -6.987 16.826 -6.186 1.00 1.51 H new ATOM 0 HE ARG A 421 -8.481 14.518 -5.418 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -8.828 18.019 -5.731 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -10.563 17.933 -6.056 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -10.707 14.418 -5.837 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -11.622 15.904 -6.116 1.00 3.98 H new ATOM 944 N ARG A 422 -4.116 12.640 -8.165 1.00 0.71 N ATOM 945 CA ARG A 422 -4.006 11.742 -9.312 1.00 0.83 C ATOM 946 C ARG A 422 -3.159 10.532 -8.938 1.00 0.72 C ATOM 947 O ARG A 422 -3.290 9.457 -9.524 1.00 0.77 O ATOM 948 CB ARG A 422 -3.415 12.454 -10.538 1.00 1.01 C ATOM 949 CG ARG A 422 -1.936 12.808 -10.428 1.00 1.19 C ATOM 950 CD ARG A 422 -1.693 13.985 -9.498 1.00 1.49 C ATOM 951 NE ARG A 422 -2.594 15.101 -9.781 1.00 2.09 N ATOM 952 CZ ARG A 422 -2.587 16.248 -9.108 1.00 2.79 C ATOM 953 NH1 ARG A 422 -1.729 16.435 -8.114 1.00 3.07 N ATOM 954 NH2 ARG A 422 -3.440 17.213 -9.429 1.00 3.71 N ATOM 0 H ARG A 422 -3.689 13.557 -8.299 1.00 0.71 H new ATOM 0 HA ARG A 422 -5.009 11.413 -9.582 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -3.557 11.818 -11.412 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -3.980 13.369 -10.715 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -1.383 11.941 -10.066 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -1.546 13.044 -11.418 1.00 1.19 H new ATOM 0 HD2 ARG A 422 -1.826 13.664 -8.465 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -0.660 14.319 -9.597 1.00 1.49 H new ATOM 0 HE ARG A 422 -3.268 14.994 -10.539 1.00 2.09 H new ATOM 0 HH11 ARG A 422 -1.071 15.697 -7.863 1.00 3.07 H new ATOM 0 HH12 ARG A 422 -1.727 17.316 -7.601 1.00 3.07 H new ATOM 0 HH21 ARG A 422 -4.102 17.075 -10.193 1.00 3.71 H new ATOM 0 HH22 ARG A 422 -3.434 18.092 -8.912 1.00 3.71 H new ATOM 968 N LEU A 423 -2.299 10.725 -7.944 1.00 0.65 N ATOM 969 CA LEU A 423 -1.425 9.673 -7.450 1.00 0.62 C ATOM 970 C LEU A 423 -2.232 8.469 -6.973 1.00 0.52 C ATOM 971 O LEU A 423 -1.784 7.328 -7.079 1.00 0.53 O ATOM 972 CB LEU A 423 -0.580 10.219 -6.300 1.00 0.69 C ATOM 973 CG LEU A 423 0.935 10.155 -6.498 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.349 10.895 -7.760 1.00 1.31 C ATOM 975 CD2 LEU A 423 1.644 10.739 -5.286 1.00 1.49 C ATOM 0 H LEU A 423 -2.190 11.616 -7.460 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.778 9.346 -8.264 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.861 11.258 -6.129 1.00 0.69 H new ATOM 0 HB3 LEU A 423 -0.833 9.667 -5.395 1.00 0.69 H new ATOM 0 HG LEU A 423 1.224 9.110 -6.608 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.431 10.835 -7.879 1.00 1.31 H new ATOM 0 HD12 LEU A 423 0.864 10.441 -8.624 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.050 11.940 -7.684 1.00 1.31 H new ATOM 0 HD21 LEU A 423 2.722 10.689 -5.436 1.00 1.49 H new ATOM 0 HD22 LEU A 423 1.344 11.779 -5.155 1.00 1.49 H new ATOM 0 HD23 LEU A 423 1.375 10.169 -4.397 1.00 1.49 H new ATOM 987 N ASP A 424 -3.420 8.741 -6.435 1.00 0.49 N ATOM 988 CA ASP A 424 -4.295 7.691 -5.923 1.00 0.50 C ATOM 989 C ASP A 424 -4.487 6.574 -6.945 1.00 0.45 C ATOM 990 O ASP A 424 -4.678 6.828 -8.134 1.00 0.49 O ATOM 991 CB ASP A 424 -5.653 8.276 -5.531 1.00 0.66 C ATOM 992 CG ASP A 424 -5.536 9.332 -4.450 1.00 0.81 C ATOM 993 OD1 ASP A 424 -4.934 9.039 -3.398 1.00 0.97 O ATOM 994 OD2 ASP A 424 -6.057 10.449 -4.651 1.00 1.20 O ATOM 0 H ASP A 424 -3.798 9.684 -6.343 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.817 7.264 -5.041 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -6.126 8.712 -6.411 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -6.304 7.474 -5.183 1.00 0.66 H new ATOM 999 N GLY A 425 -4.435 5.334 -6.464 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.602 4.185 -7.335 1.00 0.50 C ATOM 1001 C GLY A 425 -4.526 2.876 -6.573 1.00 0.45 C ATOM 1002 O GLY A 425 -4.240 2.865 -5.376 1.00 0.70 O ATOM 0 H GLY A 425 -4.279 5.105 -5.482 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.564 4.253 -7.843 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -3.832 4.200 -8.106 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.788 1.771 -7.263 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.745 0.456 -6.636 1.00 0.44 C ATOM 1008 C TRP A 426 -3.310 -0.060 -6.553 1.00 0.45 C ATOM 1009 O TRP A 426 -2.515 0.131 -7.474 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.629 -0.541 -7.392 1.00 0.47 C ATOM 1011 CG TRP A 426 -7.062 -0.121 -7.480 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.555 1.027 -8.023 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -8.185 -0.852 -6.997 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.926 1.051 -7.910 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -9.336 -0.095 -7.280 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -8.322 -2.076 -6.354 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.613 -0.530 -6.936 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.588 -2.510 -6.011 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.721 -1.739 -6.303 1.00 0.59 C ATOM 0 H TRP A 426 -5.032 1.760 -8.253 1.00 0.50 H new ATOM 0 HA TRP A 426 -5.133 0.557 -5.623 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -5.235 -0.673 -8.400 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.573 -1.511 -6.898 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.957 1.804 -8.476 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -9.536 1.798 -8.241 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.454 -2.677 -6.126 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -11.486 0.065 -7.160 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.706 -3.459 -5.510 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.698 -2.105 -6.023 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.982 -0.699 -5.433 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.640 -1.230 -5.210 1.00 0.46 C ATOM 1032 C VAL A 427 -1.624 -2.753 -5.270 1.00 0.51 C ATOM 1033 O VAL A 427 -2.658 -3.402 -5.117 1.00 0.70 O ATOM 1034 CB VAL A 427 -1.091 -0.796 -3.840 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -1.084 0.718 -3.714 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.905 -1.425 -2.723 1.00 0.85 C ATOM 0 H VAL A 427 -3.630 -0.862 -4.663 1.00 0.39 H new ATOM 0 HA VAL A 427 -1.012 -0.828 -6.005 1.00 0.46 H new ATOM 0 HB VAL A 427 -0.061 -1.144 -3.757 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.692 1.000 -2.737 1.00 0.89 H new ATOM 0 HG12 VAL A 427 -0.455 1.145 -4.495 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -2.101 1.097 -3.820 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -1.505 -1.109 -1.759 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.944 -1.107 -2.807 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.851 -2.511 -2.800 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.438 -3.320 -5.488 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.307 -4.764 -5.557 1.00 0.65 C ATOM 1048 C GLY A 428 -0.364 -5.433 -4.192 1.00 0.79 C ATOM 1049 O GLY A 428 0.153 -6.538 -4.025 1.00 1.72 O ATOM 0 H GLY A 428 0.432 -2.804 -5.618 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.102 -5.166 -6.186 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.638 -5.015 -6.039 1.00 0.65 H new ATOM 1053 N ARG A 429 -1.010 -4.770 -3.227 1.00 0.54 N ATOM 1054 CA ARG A 429 -1.158 -5.300 -1.866 1.00 0.54 C ATOM 1055 C ARG A 429 0.153 -5.276 -1.072 1.00 0.49 C ATOM 1056 O ARG A 429 0.167 -4.870 0.090 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.738 -6.722 -1.917 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.277 -7.640 -0.793 1.00 0.83 C ATOM 1059 CD ARG A 429 -1.836 -7.215 0.553 1.00 0.85 C ATOM 1060 NE ARG A 429 -1.414 -8.117 1.621 1.00 1.20 N ATOM 1061 CZ ARG A 429 -1.899 -8.074 2.855 1.00 1.26 C ATOM 1062 NH1 ARG A 429 -2.839 -7.194 3.169 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -1.452 -8.917 3.775 1.00 1.65 N ATOM 0 H ARG A 429 -1.443 -3.857 -3.365 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.850 -4.644 -1.337 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.826 -6.657 -1.891 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -1.469 -7.175 -2.871 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.588 -8.662 -1.009 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.188 -7.641 -0.749 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.506 -6.201 0.781 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -2.925 -7.192 0.504 1.00 0.85 H new ATOM 0 HE ARG A 429 -0.707 -8.820 1.406 1.00 1.20 H new ATOM 0 HH11 ARG A 429 -3.190 -6.549 2.461 1.00 1.73 H new ATOM 0 HH12 ARG A 429 -3.211 -7.162 4.118 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -0.734 -9.600 3.535 1.00 1.65 H new ATOM 0 HH22 ARG A 429 -1.826 -8.882 4.723 1.00 1.65 H new ATOM 1077 N HIS A 430 1.245 -5.715 -1.686 1.00 0.49 N ATOM 1078 CA HIS A 430 2.538 -5.742 -1.009 1.00 0.53 C ATOM 1079 C HIS A 430 3.030 -4.334 -0.687 1.00 0.47 C ATOM 1080 O HIS A 430 3.956 -4.157 0.107 1.00 0.49 O ATOM 1081 CB HIS A 430 3.573 -6.484 -1.860 1.00 0.65 C ATOM 1082 CG HIS A 430 3.749 -5.918 -3.235 1.00 0.77 C ATOM 1083 ND1 HIS A 430 4.206 -4.639 -3.474 1.00 1.20 N ATOM 1084 CD2 HIS A 430 3.531 -6.470 -4.452 1.00 1.47 C ATOM 1085 CE1 HIS A 430 4.261 -4.429 -4.777 1.00 1.31 C ATOM 1086 NE2 HIS A 430 3.858 -5.525 -5.392 1.00 1.46 N ATOM 0 H HIS A 430 1.263 -6.056 -2.647 1.00 0.49 H new ATOM 0 HA HIS A 430 2.407 -6.274 -0.067 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.533 -6.465 -1.345 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.277 -7.530 -1.944 1.00 0.65 H new ATOM 0 HD2 HIS A 430 3.167 -7.468 -4.647 1.00 1.47 H new ATOM 0 HE1 HIS A 430 4.581 -3.516 -5.257 1.00 1.31 H new ATOM 0 HE2 HIS A 430 3.799 -5.650 -6.403 1.00 1.46 H new ATOM 1095 N ARG A 431 2.415 -3.335 -1.312 1.00 0.43 N ATOM 1096 CA ARG A 431 2.801 -1.945 -1.097 1.00 0.41 C ATOM 1097 C ARG A 431 2.221 -1.388 0.203 1.00 0.37 C ATOM 1098 O ARG A 431 2.864 -0.589 0.882 1.00 0.57 O ATOM 1099 CB ARG A 431 2.352 -1.082 -2.276 1.00 0.44 C ATOM 1100 CG ARG A 431 2.905 -1.547 -3.613 1.00 0.53 C ATOM 1101 CD ARG A 431 2.490 -0.620 -4.745 1.00 0.64 C ATOM 1102 NE ARG A 431 3.003 -1.072 -6.038 1.00 1.39 N ATOM 1103 CZ ARG A 431 4.298 -1.170 -6.330 1.00 2.05 C ATOM 1104 NH1 ARG A 431 5.215 -0.835 -5.432 1.00 2.55 N ATOM 1105 NH2 ARG A 431 4.677 -1.601 -7.526 1.00 2.84 N ATOM 0 H ARG A 431 1.647 -3.462 -1.971 1.00 0.43 H new ATOM 0 HA ARG A 431 3.888 -1.917 -1.018 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.263 -1.082 -2.322 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.663 -0.052 -2.101 1.00 0.44 H new ATOM 0 HG2 ARG A 431 3.993 -1.594 -3.561 1.00 0.53 H new ATOM 0 HG3 ARG A 431 2.552 -2.557 -3.822 1.00 0.53 H new ATOM 0 HD2 ARG A 431 1.402 -0.562 -4.786 1.00 0.64 H new ATOM 0 HD3 ARG A 431 2.855 0.387 -4.542 1.00 0.64 H new ATOM 0 HE ARG A 431 2.328 -1.327 -6.759 1.00 1.39 H new ATOM 0 HH11 ARG A 431 4.929 -0.500 -4.512 1.00 2.55 H new ATOM 0 HH12 ARG A 431 6.206 -0.912 -5.662 1.00 2.55 H new ATOM 0 HH21 ARG A 431 3.976 -1.857 -8.221 1.00 2.84 H new ATOM 0 HH22 ARG A 431 5.669 -1.676 -7.750 1.00 2.84 H new ATOM 1119 N ILE A 432 1.001 -1.798 0.543 1.00 0.39 N ATOM 1120 CA ILE A 432 0.355 -1.311 1.759 1.00 0.36 C ATOM 1121 C ILE A 432 0.717 -2.168 2.969 1.00 0.38 C ATOM 1122 O ILE A 432 0.652 -3.396 2.919 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.182 -1.271 1.609 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.582 -0.327 0.473 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.830 -0.832 2.913 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -3.073 -0.285 0.219 1.00 0.46 C ATOM 0 H ILE A 432 0.445 -2.459 0.000 1.00 0.39 H new ATOM 0 HA ILE A 432 0.723 -0.297 1.919 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.533 -2.274 1.367 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -1.233 0.679 0.707 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -1.074 -0.636 -0.441 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.913 -0.809 2.791 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.569 -1.535 3.704 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.473 0.163 3.180 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.283 0.404 -0.599 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.425 -1.282 -0.047 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.586 0.053 1.119 1.00 0.46 H new ATOM 1138 N SER A 433 1.092 -1.498 4.057 1.00 0.34 N ATOM 1139 CA SER A 433 1.468 -2.172 5.296 1.00 0.38 C ATOM 1140 C SER A 433 1.462 -1.186 6.460 1.00 0.36 C ATOM 1141 O SER A 433 1.897 -0.045 6.319 1.00 0.34 O ATOM 1142 CB SER A 433 2.857 -2.804 5.164 1.00 0.41 C ATOM 1143 OG SER A 433 2.887 -3.772 4.130 1.00 0.53 O ATOM 0 H SER A 433 1.143 -0.480 4.104 1.00 0.34 H new ATOM 0 HA SER A 433 0.738 -2.958 5.490 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.594 -2.027 4.959 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.138 -3.269 6.109 1.00 0.41 H new ATOM 0 HG SER A 433 1.974 -3.950 3.822 1.00 0.53 H new ATOM 1149 N ASP A 434 0.963 -1.633 7.611 1.00 0.43 N ATOM 1150 CA ASP A 434 0.901 -0.783 8.795 1.00 0.48 C ATOM 1151 C ASP A 434 2.303 -0.422 9.285 1.00 0.48 C ATOM 1152 O ASP A 434 2.488 0.583 9.972 1.00 0.74 O ATOM 1153 CB ASP A 434 0.093 -1.465 9.904 1.00 0.60 C ATOM 1154 CG ASP A 434 0.708 -2.772 10.359 1.00 0.83 C ATOM 1155 OD1 ASP A 434 1.832 -2.744 10.901 1.00 1.35 O ATOM 1156 OD2 ASP A 434 0.066 -3.825 10.173 1.00 1.12 O ATOM 0 H ASP A 434 0.597 -2.575 7.747 1.00 0.43 H new ATOM 0 HA ASP A 434 0.395 0.143 8.523 1.00 0.48 H new ATOM 0 HB2 ASP A 434 0.013 -0.790 10.756 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -0.920 -1.650 9.548 1.00 0.60 H new ATOM 1161 N ASN A 435 3.291 -1.241 8.921 1.00 0.43 N ATOM 1162 CA ASN A 435 4.676 -0.994 9.319 1.00 0.47 C ATOM 1163 C ASN A 435 5.513 -0.549 8.122 1.00 0.39 C ATOM 1164 O ASN A 435 5.490 -1.183 7.067 1.00 0.38 O ATOM 1165 CB ASN A 435 5.298 -2.249 9.938 1.00 0.59 C ATOM 1166 CG ASN A 435 4.625 -2.661 11.232 1.00 1.26 C ATOM 1167 OD1 ASN A 435 4.528 -1.873 12.174 1.00 2.16 O ATOM 1168 ND2 ASN A 435 4.164 -3.905 11.289 1.00 1.81 N ATOM 0 H ASN A 435 3.158 -2.078 8.353 1.00 0.43 H new ATOM 0 HA ASN A 435 4.668 -0.198 10.064 1.00 0.47 H new ATOM 0 HB2 ASN A 435 5.235 -3.070 9.224 1.00 0.59 H new ATOM 0 HB3 ASN A 435 6.357 -2.070 10.125 1.00 0.59 H new ATOM 0 HD21 ASN A 435 3.708 -4.242 12.137 1.00 1.81 H new ATOM 0 HD22 ASN A 435 4.266 -4.524 10.485 1.00 1.81 H new ATOM 1175 N ALA A 436 6.248 0.546 8.294 1.00 0.49 N ATOM 1176 CA ALA A 436 7.090 1.081 7.230 1.00 0.55 C ATOM 1177 C ALA A 436 8.417 0.334 7.132 1.00 0.55 C ATOM 1178 O ALA A 436 8.907 0.071 6.035 1.00 0.54 O ATOM 1179 CB ALA A 436 7.342 2.564 7.444 1.00 0.75 C ATOM 0 H ALA A 436 6.277 1.081 9.162 1.00 0.49 H new ATOM 0 HA ALA A 436 6.556 0.941 6.290 1.00 0.55 H new ATOM 0 HB1 ALA A 436 7.972 2.946 6.641 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.392 3.098 7.445 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.843 2.714 8.400 1.00 0.75 H new ATOM 1185 N ASP A 437 8.999 0.008 8.284 1.00 0.65 N ATOM 1186 CA ASP A 437 10.278 -0.696 8.319 1.00 0.75 C ATOM 1187 C ASP A 437 10.231 -1.946 7.445 1.00 0.71 C ATOM 1188 O ASP A 437 11.183 -2.246 6.725 1.00 0.78 O ATOM 1189 CB ASP A 437 10.640 -1.073 9.756 1.00 0.92 C ATOM 1190 CG ASP A 437 10.734 0.136 10.664 1.00 1.02 C ATOM 1191 OD1 ASP A 437 11.567 1.024 10.386 1.00 1.34 O ATOM 1192 OD2 ASP A 437 9.975 0.197 11.654 1.00 1.34 O ATOM 0 H ASP A 437 8.607 0.219 9.202 1.00 0.65 H new ATOM 0 HA ASP A 437 11.045 -0.028 7.926 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.891 -1.761 10.148 1.00 0.92 H new ATOM 0 HB3 ASP A 437 11.593 -1.603 9.761 1.00 0.92 H new ATOM 1197 N ASP A 438 9.110 -2.659 7.500 1.00 0.68 N ATOM 1198 CA ASP A 438 8.935 -3.862 6.698 1.00 0.73 C ATOM 1199 C ASP A 438 8.948 -3.504 5.216 1.00 0.73 C ATOM 1200 O ASP A 438 9.497 -4.234 4.390 1.00 1.35 O ATOM 1201 CB ASP A 438 7.623 -4.560 7.060 1.00 0.88 C ATOM 1202 CG ASP A 438 7.595 -5.026 8.503 1.00 1.08 C ATOM 1203 OD1 ASP A 438 8.595 -4.804 9.217 1.00 1.56 O ATOM 1204 OD2 ASP A 438 6.574 -5.613 8.920 1.00 1.36 O ATOM 0 H ASP A 438 8.312 -2.424 8.090 1.00 0.68 H new ATOM 0 HA ASP A 438 9.759 -4.545 6.907 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.791 -3.877 6.885 1.00 0.88 H new ATOM 0 HB3 ASP A 438 7.476 -5.416 6.402 1.00 0.88 H new ATOM 1209 N LEU A 439 8.343 -2.365 4.896 1.00 0.54 N ATOM 1210 CA LEU A 439 8.280 -1.880 3.524 1.00 0.53 C ATOM 1211 C LEU A 439 9.685 -1.651 2.966 1.00 0.61 C ATOM 1212 O LEU A 439 10.239 -2.514 2.283 1.00 0.86 O ATOM 1213 CB LEU A 439 7.461 -0.583 3.464 1.00 0.52 C ATOM 1214 CG LEU A 439 5.996 -0.714 3.883 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.368 0.659 4.043 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.218 -1.530 2.865 1.00 1.10 C ATOM 0 H LEU A 439 7.886 -1.757 5.575 1.00 0.54 H new ATOM 0 HA LEU A 439 7.790 -2.636 2.910 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.939 0.159 4.103 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.497 -0.197 2.445 1.00 0.52 H new ATOM 0 HG LEU A 439 5.959 -1.232 4.842 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.325 0.550 4.341 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.907 1.219 4.807 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.420 1.195 3.096 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.178 -1.611 3.182 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.264 -1.039 1.893 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.653 -2.527 2.788 1.00 1.10 H new ATOM 1228 N GLY A 440 10.255 -0.483 3.257 1.00 0.59 N ATOM 1229 CA GLY A 440 11.586 -0.161 2.777 1.00 0.77 C ATOM 1230 C GLY A 440 11.690 1.273 2.315 1.00 0.96 C ATOM 1231 O GLY A 440 12.127 1.536 1.195 1.00 1.36 O ATOM 0 H GLY A 440 9.816 0.247 3.818 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.311 -0.339 3.571 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.845 -0.827 1.954 1.00 0.77 H new ATOM 1235 N GLY A 441 11.281 2.209 3.166 1.00 0.93 N ATOM 1236 CA GLY A 441 11.342 3.601 2.779 1.00 1.24 C ATOM 1237 C GLY A 441 11.271 4.567 3.937 1.00 1.14 C ATOM 1238 O GLY A 441 12.259 5.229 4.258 1.00 1.83 O ATOM 0 H GLY A 441 10.915 2.030 4.101 1.00 0.93 H new ATOM 0 HA2 GLY A 441 12.268 3.774 2.232 1.00 1.24 H new ATOM 0 HA3 GLY A 441 10.522 3.812 2.093 1.00 1.24 H new ATOM 1242 N ILE A 442 10.098 4.664 4.546 1.00 1.10 N ATOM 1243 CA ILE A 442 9.885 5.581 5.656 1.00 1.03 C ATOM 1244 C ILE A 442 10.105 7.009 5.173 1.00 1.05 C ATOM 1245 O ILE A 442 10.863 7.235 4.229 1.00 1.39 O ATOM 1246 CB ILE A 442 10.828 5.271 6.836 1.00 1.26 C ATOM 1247 CG1 ILE A 442 10.461 3.935 7.489 1.00 1.41 C ATOM 1248 CG2 ILE A 442 10.796 6.390 7.870 1.00 1.38 C ATOM 1249 CD1 ILE A 442 10.591 2.748 6.562 1.00 1.48 C ATOM 0 H ILE A 442 9.277 4.117 4.289 1.00 1.10 H new ATOM 0 HA ILE A 442 8.862 5.461 6.013 1.00 1.03 H new ATOM 0 HB ILE A 442 11.841 5.198 6.441 1.00 1.26 H new ATOM 0 HG12 ILE A 442 11.100 3.778 8.358 1.00 1.41 H new ATOM 0 HG13 ILE A 442 9.435 3.989 7.854 1.00 1.41 H new ATOM 0 HG21 ILE A 442 11.470 6.146 8.691 1.00 1.38 H new ATOM 0 HG22 ILE A 442 11.113 7.324 7.406 1.00 1.38 H new ATOM 0 HG23 ILE A 442 9.782 6.502 8.254 1.00 1.38 H new ATOM 0 HD11 ILE A 442 10.314 1.838 7.095 1.00 1.48 H new ATOM 0 HD12 ILE A 442 9.931 2.882 5.705 1.00 1.48 H new ATOM 0 HD13 ILE A 442 11.622 2.667 6.217 1.00 1.48 H new ATOM 1261 N THR A 443 9.433 7.971 5.789 1.00 1.13 N ATOM 1262 CA THR A 443 9.580 9.353 5.366 1.00 1.36 C ATOM 1263 C THR A 443 11.056 9.699 5.185 1.00 1.47 C ATOM 1264 O THR A 443 11.812 9.767 6.154 1.00 2.20 O ATOM 1265 CB THR A 443 8.946 10.331 6.373 1.00 2.21 C ATOM 1266 OG1 THR A 443 7.569 9.993 6.583 1.00 3.05 O ATOM 1267 CG2 THR A 443 9.047 11.765 5.875 1.00 2.78 C ATOM 0 H THR A 443 8.792 7.823 6.569 1.00 1.13 H new ATOM 0 HA THR A 443 9.058 9.456 4.415 1.00 1.36 H new ATOM 0 HB THR A 443 9.490 10.250 7.314 1.00 2.21 H new ATOM 0 HG1 THR A 443 7.173 10.618 7.226 1.00 3.05 H new ATOM 0 HG21 THR A 443 8.592 12.436 6.604 1.00 2.78 H new ATOM 0 HG22 THR A 443 10.096 12.031 5.742 1.00 2.78 H new ATOM 0 HG23 THR A 443 8.526 11.857 4.922 1.00 2.78 H new ATOM 1275 N VAL A 444 11.451 9.899 3.929 1.00 1.90 N ATOM 1276 CA VAL A 444 12.833 10.220 3.584 1.00 2.70 C ATOM 1277 C VAL A 444 13.778 9.073 3.951 1.00 3.02 C ATOM 1278 O VAL A 444 13.916 8.717 5.120 1.00 3.60 O ATOM 1279 CB VAL A 444 13.296 11.510 4.285 1.00 3.53 C ATOM 1280 CG1 VAL A 444 14.752 11.811 3.961 1.00 4.18 C ATOM 1281 CG2 VAL A 444 12.405 12.678 3.892 1.00 4.02 C ATOM 0 H VAL A 444 10.825 9.843 3.126 1.00 1.90 H new ATOM 0 HA VAL A 444 12.866 10.372 2.505 1.00 2.70 H new ATOM 0 HB VAL A 444 13.214 11.361 5.362 1.00 3.53 H new ATOM 0 HG11 VAL A 444 15.056 12.727 4.468 1.00 4.18 H new ATOM 0 HG12 VAL A 444 15.378 10.985 4.298 1.00 4.18 H new ATOM 0 HG13 VAL A 444 14.867 11.937 2.884 1.00 4.18 H new ATOM 0 HG21 VAL A 444 12.746 13.582 4.397 1.00 4.02 H new ATOM 0 HG22 VAL A 444 12.452 12.825 2.813 1.00 4.02 H new ATOM 0 HG23 VAL A 444 11.377 12.466 4.184 1.00 4.02 H new ATOM 1291 N LEU A 445 14.428 8.504 2.937 1.00 3.13 N ATOM 1292 CA LEU A 445 15.365 7.400 3.143 1.00 3.83 C ATOM 1293 C LEU A 445 16.653 7.880 3.810 1.00 4.75 C ATOM 1294 O LEU A 445 17.169 8.949 3.483 1.00 4.99 O ATOM 1295 CB LEU A 445 15.694 6.717 1.812 1.00 3.87 C ATOM 1296 CG LEU A 445 14.615 5.774 1.272 1.00 3.48 C ATOM 1297 CD1 LEU A 445 14.943 5.353 -0.151 1.00 3.82 C ATOM 1298 CD2 LEU A 445 14.482 4.549 2.167 1.00 3.70 C ATOM 0 H LEU A 445 14.323 8.789 1.963 1.00 3.13 H new ATOM 0 HA LEU A 445 14.883 6.680 3.805 1.00 3.83 H new ATOM 0 HB2 LEU A 445 15.885 7.488 1.065 1.00 3.87 H new ATOM 0 HB3 LEU A 445 16.619 6.153 1.932 1.00 3.87 H new ATOM 0 HG LEU A 445 13.664 6.306 1.267 1.00 3.48 H new ATOM 0 HD11 LEU A 445 14.167 4.683 -0.520 1.00 3.82 H new ATOM 0 HD12 LEU A 445 14.994 6.235 -0.789 1.00 3.82 H new ATOM 0 HD13 LEU A 445 15.904 4.838 -0.166 1.00 3.82 H new ATOM 0 HD21 LEU A 445 13.711 3.889 1.769 1.00 3.70 H new ATOM 0 HD22 LEU A 445 15.433 4.017 2.200 1.00 3.70 H new ATOM 0 HD23 LEU A 445 14.207 4.862 3.174 1.00 3.70 H new ATOM 1310 N PRO A 446 17.189 7.089 4.759 1.00 5.56 N ATOM 1311 CA PRO A 446 18.425 7.428 5.479 1.00 6.59 C ATOM 1312 C PRO A 446 19.641 7.487 4.558 1.00 7.07 C ATOM 1313 O PRO A 446 19.531 7.840 3.384 1.00 7.26 O ATOM 1314 CB PRO A 446 18.579 6.281 6.492 1.00 7.40 C ATOM 1315 CG PRO A 446 17.235 5.643 6.571 1.00 6.97 C ATOM 1316 CD PRO A 446 16.634 5.802 5.208 1.00 5.82 C ATOM 0 HA PRO A 446 18.366 8.416 5.937 1.00 6.59 H new ATOM 0 HB2 PRO A 446 19.335 5.567 6.165 1.00 7.40 H new ATOM 0 HB3 PRO A 446 18.894 6.656 7.466 1.00 7.40 H new ATOM 0 HG2 PRO A 446 17.316 4.591 6.844 1.00 6.97 H new ATOM 0 HG3 PRO A 446 16.617 6.122 7.330 1.00 6.97 H new ATOM 0 HD2 PRO A 446 16.916 4.985 4.543 1.00 5.82 H new ATOM 0 HD3 PRO A 446 15.545 5.821 5.245 1.00 5.82 H new ATOM 1324 N ALA A 447 20.800 7.140 5.105 1.00 7.52 N ATOM 1325 CA ALA A 447 22.045 7.153 4.346 1.00 8.19 C ATOM 1326 C ALA A 447 23.073 6.208 4.966 1.00 8.83 C ATOM 1327 O ALA A 447 24.015 6.648 5.627 1.00 9.06 O ATOM 1328 CB ALA A 447 22.601 8.567 4.268 1.00 8.42 C ATOM 0 H ALA A 447 20.904 6.845 6.076 1.00 7.52 H new ATOM 0 HA ALA A 447 21.832 6.804 3.336 1.00 8.19 H new ATOM 0 HB1 ALA A 447 23.530 8.562 3.699 1.00 8.42 H new ATOM 0 HB2 ALA A 447 21.877 9.216 3.775 1.00 8.42 H new ATOM 0 HB3 ALA A 447 22.794 8.938 5.275 1.00 8.42 H new ATOM 1334 N PRO A 448 22.901 4.889 4.763 1.00 9.38 N ATOM 1335 CA PRO A 448 23.814 3.875 5.310 1.00 10.23 C ATOM 1336 C PRO A 448 25.239 4.011 4.774 1.00 10.87 C ATOM 1337 O PRO A 448 25.446 4.160 3.570 1.00 11.06 O ATOM 1338 CB PRO A 448 23.198 2.548 4.850 1.00 10.80 C ATOM 1339 CG PRO A 448 22.325 2.904 3.695 1.00 10.31 C ATOM 1340 CD PRO A 448 21.805 4.281 3.989 1.00 9.48 C ATOM 0 HA PRO A 448 23.910 3.967 6.392 1.00 10.23 H new ATOM 0 HB2 PRO A 448 23.969 1.836 4.556 1.00 10.80 H new ATOM 0 HB3 PRO A 448 22.623 2.082 5.650 1.00 10.80 H new ATOM 0 HG2 PRO A 448 22.886 2.888 2.761 1.00 10.31 H new ATOM 0 HG3 PRO A 448 21.507 2.191 3.588 1.00 10.31 H new ATOM 0 HD2 PRO A 448 21.598 4.838 3.075 1.00 9.48 H new ATOM 0 HD3 PRO A 448 20.877 4.249 4.560 1.00 9.48 H new ATOM 1348 N PRO A 449 26.247 3.956 5.668 1.00 11.41 N ATOM 1349 CA PRO A 449 27.659 4.069 5.280 1.00 12.23 C ATOM 1350 C PRO A 449 28.103 2.923 4.375 1.00 13.10 C ATOM 1351 O PRO A 449 27.720 1.772 4.585 1.00 13.50 O ATOM 1352 CB PRO A 449 28.416 4.015 6.614 1.00 12.72 C ATOM 1353 CG PRO A 449 27.393 4.303 7.660 1.00 12.39 C ATOM 1354 CD PRO A 449 26.094 3.779 7.120 1.00 11.49 C ATOM 0 HA PRO A 449 27.846 4.979 4.710 1.00 12.23 H new ATOM 0 HB2 PRO A 449 28.871 3.037 6.768 1.00 12.72 H new ATOM 0 HB3 PRO A 449 29.221 4.749 6.639 1.00 12.72 H new ATOM 0 HG2 PRO A 449 27.649 3.817 8.601 1.00 12.39 H new ATOM 0 HG3 PRO A 449 27.330 5.373 7.861 1.00 12.39 H new ATOM 0 HD2 PRO A 449 25.939 2.733 7.385 1.00 11.49 H new ATOM 0 HD3 PRO A 449 25.241 4.336 7.507 1.00 11.49 H new ATOM 1362 N LEU A 450 28.908 3.246 3.368 1.00 13.55 N ATOM 1363 CA LEU A 450 29.402 2.242 2.431 1.00 14.50 C ATOM 1364 C LEU A 450 30.318 1.241 3.131 1.00 14.96 C ATOM 1365 O LEU A 450 31.276 1.627 3.802 1.00 15.17 O ATOM 1366 CB LEU A 450 30.151 2.907 1.271 1.00 15.07 C ATOM 1367 CG LEU A 450 29.284 3.707 0.290 1.00 15.25 C ATOM 1368 CD1 LEU A 450 28.641 4.902 0.977 1.00 15.76 C ATOM 1369 CD2 LEU A 450 30.117 4.161 -0.899 1.00 15.35 C ATOM 0 H LEU A 450 29.232 4.195 3.179 1.00 13.55 H new ATOM 0 HA LEU A 450 28.539 1.706 2.036 1.00 14.50 H new ATOM 0 HB2 LEU A 450 30.907 3.574 1.686 1.00 15.07 H new ATOM 0 HB3 LEU A 450 30.679 2.134 0.713 1.00 15.07 H new ATOM 0 HG LEU A 450 28.486 3.056 -0.068 1.00 15.25 H new ATOM 0 HD11 LEU A 450 28.032 5.451 0.258 1.00 15.76 H new ATOM 0 HD12 LEU A 450 28.011 4.555 1.796 1.00 15.76 H new ATOM 0 HD13 LEU A 450 29.418 5.558 1.370 1.00 15.76 H new ATOM 0 HD21 LEU A 450 29.490 4.727 -1.587 1.00 15.35 H new ATOM 0 HD22 LEU A 450 30.935 4.792 -0.551 1.00 15.35 H new ATOM 0 HD23 LEU A 450 30.524 3.290 -1.412 1.00 15.35 H new ATOM 1381 N ALA A 451 30.015 -0.045 2.958 1.00 15.28 N ATOM 1382 CA ALA A 451 30.800 -1.123 3.558 1.00 15.91 C ATOM 1383 C ALA A 451 30.797 -1.044 5.086 1.00 16.47 C ATOM 1384 O ALA A 451 31.209 -0.039 5.666 1.00 16.74 O ATOM 1385 CB ALA A 451 32.227 -1.094 3.032 1.00 16.18 C ATOM 0 H ALA A 451 29.223 -0.368 2.401 1.00 15.28 H new ATOM 0 HA ALA A 451 30.334 -2.067 3.275 1.00 15.91 H new ATOM 0 HB1 ALA A 451 32.799 -1.902 3.488 1.00 16.18 H new ATOM 0 HB2 ALA A 451 32.218 -1.221 1.949 1.00 16.18 H new ATOM 0 HB3 ALA A 451 32.687 -0.138 3.282 1.00 16.18 H new ATOM 1391 N PRO A 452 30.336 -2.113 5.763 1.00 16.82 N ATOM 1392 CA PRO A 452 30.290 -2.157 7.225 1.00 17.52 C ATOM 1393 C PRO A 452 31.651 -2.465 7.840 1.00 18.21 C ATOM 1394 O PRO A 452 32.282 -3.465 7.499 1.00 18.53 O ATOM 1395 CB PRO A 452 29.307 -3.292 7.503 1.00 17.79 C ATOM 1396 CG PRO A 452 29.466 -4.218 6.346 1.00 17.36 C ATOM 1397 CD PRO A 452 29.829 -3.362 5.159 1.00 16.73 C ATOM 0 HA PRO A 452 29.997 -1.200 7.657 1.00 17.52 H new ATOM 0 HB2 PRO A 452 29.534 -3.792 8.445 1.00 17.79 H new ATOM 0 HB3 PRO A 452 28.284 -2.922 7.577 1.00 17.79 H new ATOM 0 HG2 PRO A 452 30.243 -4.956 6.544 1.00 17.36 H new ATOM 0 HG3 PRO A 452 28.544 -4.768 6.160 1.00 17.36 H new ATOM 0 HD2 PRO A 452 30.586 -3.841 4.538 1.00 16.73 H new ATOM 0 HD3 PRO A 452 28.965 -3.175 4.522 1.00 16.73 H new ATOM 1405 N ASP A 453 32.093 -1.602 8.752 1.00 18.57 N ATOM 1406 CA ASP A 453 33.378 -1.779 9.423 1.00 19.36 C ATOM 1407 C ASP A 453 34.488 -2.027 8.403 1.00 19.52 C ATOM 1408 O ASP A 453 35.248 -2.989 8.514 1.00 19.55 O ATOM 1409 CB ASP A 453 33.296 -2.941 10.421 1.00 19.71 C ATOM 1410 CG ASP A 453 34.449 -2.950 11.408 1.00 20.25 C ATOM 1411 OD1 ASP A 453 35.609 -3.072 10.961 1.00 20.48 O ATOM 1412 OD2 ASP A 453 34.197 -2.836 12.625 1.00 20.55 O ATOM 0 H ASP A 453 31.578 -0.771 9.044 1.00 18.57 H new ATOM 0 HA ASP A 453 33.615 -0.865 9.968 1.00 19.36 H new ATOM 0 HB2 ASP A 453 32.355 -2.878 10.968 1.00 19.71 H new ATOM 0 HB3 ASP A 453 33.284 -3.884 9.874 1.00 19.71 H new ATOM 1417 N GLN A 454 34.567 -1.154 7.402 1.00 19.77 N ATOM 1418 CA GLN A 454 35.577 -1.273 6.355 1.00 20.09 C ATOM 1419 C GLN A 454 35.478 -2.626 5.653 1.00 20.37 C ATOM 1420 O GLN A 454 36.533 -3.172 5.268 1.00 20.63 O ATOM 1421 CB GLN A 454 36.979 -1.085 6.940 1.00 20.30 C ATOM 1422 CG GLN A 454 37.187 0.268 7.603 1.00 20.53 C ATOM 1423 CD GLN A 454 38.586 0.446 8.169 1.00 20.93 C ATOM 1424 OE1 GLN A 454 38.896 1.479 8.765 1.00 21.22 O ATOM 1425 NE2 GLN A 454 39.444 -0.554 7.986 1.00 21.08 N ATOM 1426 OXT GLN A 454 34.345 -3.128 5.494 1.00 20.45 O ATOM 0 H GLN A 454 33.942 -0.355 7.294 1.00 19.77 H new ATOM 0 HA GLN A 454 35.394 -0.490 5.619 1.00 20.09 H new ATOM 0 HB2 GLN A 454 37.167 -1.871 7.671 1.00 20.30 H new ATOM 0 HB3 GLN A 454 37.715 -1.207 6.145 1.00 20.30 H new ATOM 0 HG2 GLN A 454 36.993 1.056 6.875 1.00 20.53 H new ATOM 0 HG3 GLN A 454 36.459 0.389 8.405 1.00 20.53 H new ATOM 0 HE21 GLN A 454 39.150 -1.394 7.487 1.00 21.08 H new ATOM 0 HE22 GLN A 454 40.396 -0.481 8.345 1.00 21.08 H new TER 1435 GLN A 454