USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 391 THR OG1 : rot -124:sc= -1.61 USER MOD Set 1.2: A 393 HIS : no HD1:sc= -2.62 K(o=-4.2,f=-8!) USER MOD Set 2.1: A 378 ASN : amide:sc= -7.14! K(o=-7.6!,f=-3) USER MOD Set 2.2: A 383 TYR OH : rot 165:sc= -0.473 USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HD1:sc= -1.27! C(o=-1.3!,f=-7!) USER MOD Single : A 366 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 370 MET CE :methyl 164:sc= -0.199 (180deg=-0.659) USER MOD Single : A 371 GLN : amide:sc= -0.212 K(o=-0.21,f=-1) USER MOD Single : A 372 LYS NZ :NH3+ -165:sc= -0.0427 (180deg=-0.349) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 GLN : amide:sc= -2.16! C(o=-2.2!,f=-3.1!) USER MOD Single : A 399 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 403 THR OG1 : rot 180:sc= -2.02! USER MOD Single : A 405 ASN : amide:sc= -5.12! C(o=-5.1!,f=-1.9!) USER MOD Single : A 412 TYR OH : rot 0:sc= -0.698! USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HE2:sc= 0.842 K(o=0.84,f=-2.6!) USER MOD Single : A 416 TYR OH : rot 180:sc= -0.465 USER MOD Single : A 420 ASN : amide:sc= -5! K(o=-5!,f=-0.74) USER MOD Single : A 430 HIS : no HD1:sc= -3.57! K(o=-3.6!,f=-0.58) USER MOD Single : A 433 SER OG : rot -5:sc= 0.981 USER MOD Single : A 435 ASN : amide:sc= -0.962 K(o=-0.96,f=-5.8!) USER MOD Single : A 443 THR OG1 : rot -16:sc= 0.588 USER MOD Single : A 454 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 3.242 -11.596 1.915 1.00 11.64 N ATOM 2 CA GLY A 363 2.769 -11.566 0.502 1.00 11.03 C ATOM 3 C GLY A 363 2.662 -12.952 -0.103 1.00 10.23 C ATOM 4 O GLY A 363 1.682 -13.266 -0.781 1.00 10.21 O ATOM 0 HA2 GLY A 363 1.795 -11.078 0.458 1.00 11.03 H new ATOM 0 HA3 GLY A 363 3.455 -10.964 -0.095 1.00 11.03 H new ATOM 10 N SER A 364 3.671 -13.782 0.141 1.00 9.80 N ATOM 11 CA SER A 364 3.689 -15.143 -0.384 1.00 9.25 C ATOM 12 C SER A 364 2.498 -15.941 0.136 1.00 8.36 C ATOM 13 O SER A 364 1.808 -16.616 -0.630 1.00 8.24 O ATOM 14 CB SER A 364 4.992 -15.843 0.003 1.00 9.60 C ATOM 15 OG SER A 364 5.031 -17.166 -0.504 1.00 9.86 O ATOM 0 H SER A 364 4.488 -13.536 0.700 1.00 9.80 H new ATOM 0 HA SER A 364 3.622 -15.088 -1.471 1.00 9.25 H new ATOM 0 HB2 SER A 364 5.840 -15.278 -0.382 1.00 9.60 H new ATOM 0 HB3 SER A 364 5.089 -15.863 1.088 1.00 9.60 H new ATOM 0 HG SER A 364 5.875 -17.591 -0.244 1.00 9.86 H new ATOM 21 N HIS A 365 2.261 -15.856 1.442 1.00 7.98 N ATOM 22 CA HIS A 365 1.152 -16.566 2.068 1.00 7.35 C ATOM 23 C HIS A 365 -0.181 -15.932 1.644 1.00 6.30 C ATOM 24 O HIS A 365 -0.423 -15.741 0.453 1.00 6.44 O ATOM 25 CB HIS A 365 1.330 -16.556 3.594 1.00 7.88 C ATOM 26 CG HIS A 365 0.526 -17.599 4.316 1.00 7.65 C ATOM 27 ND1 HIS A 365 -0.851 -17.689 4.245 1.00 7.18 N ATOM 28 CD2 HIS A 365 0.922 -18.607 5.132 1.00 8.07 C ATOM 29 CE1 HIS A 365 -1.263 -18.702 4.986 1.00 7.26 C ATOM 30 NE2 HIS A 365 -0.208 -19.275 5.533 1.00 7.79 N ATOM 0 H HIS A 365 2.823 -15.301 2.087 1.00 7.98 H new ATOM 0 HA HIS A 365 1.142 -17.605 1.738 1.00 7.35 H new ATOM 0 HB2 HIS A 365 2.385 -16.702 3.826 1.00 7.88 H new ATOM 0 HB3 HIS A 365 1.053 -15.573 3.974 1.00 7.88 H new ATOM 0 HD2 HIS A 365 1.938 -18.841 5.414 1.00 8.07 H new ATOM 0 HE1 HIS A 365 -2.290 -19.009 5.121 1.00 7.26 H new ATOM 0 HE2 HIS A 365 -0.229 -20.084 6.154 1.00 7.79 H new ATOM 39 N MET A 366 -1.041 -15.606 2.609 1.00 5.51 N ATOM 40 CA MET A 366 -2.332 -14.998 2.308 1.00 4.67 C ATOM 41 C MET A 366 -3.012 -14.561 3.601 1.00 4.56 C ATOM 42 O MET A 366 -4.195 -14.825 3.816 1.00 4.71 O ATOM 43 CB MET A 366 -3.221 -15.991 1.550 1.00 4.15 C ATOM 44 CG MET A 366 -4.109 -15.350 0.492 1.00 3.72 C ATOM 45 SD MET A 366 -5.264 -14.141 1.166 1.00 3.31 S ATOM 46 CE MET A 366 -6.136 -13.645 -0.322 1.00 2.76 C ATOM 0 H MET A 366 -0.865 -15.753 3.603 1.00 5.51 H new ATOM 0 HA MET A 366 -2.174 -14.123 1.678 1.00 4.67 H new ATOM 0 HB2 MET A 366 -2.587 -16.738 1.073 1.00 4.15 H new ATOM 0 HB3 MET A 366 -3.851 -16.518 2.267 1.00 4.15 H new ATOM 0 HG2 MET A 366 -3.480 -14.864 -0.254 1.00 3.72 H new ATOM 0 HG3 MET A 366 -4.670 -16.130 -0.023 1.00 3.72 H new ATOM 0 HE1 MET A 366 -6.888 -12.897 -0.071 1.00 2.76 H new ATOM 0 HE2 MET A 366 -5.428 -13.223 -1.035 1.00 2.76 H new ATOM 0 HE3 MET A 366 -6.622 -14.514 -0.765 1.00 2.76 H new ATOM 56 N ASP A 367 -2.243 -13.895 4.462 1.00 4.67 N ATOM 57 CA ASP A 367 -2.738 -13.411 5.745 1.00 4.80 C ATOM 58 C ASP A 367 -3.495 -14.504 6.497 1.00 4.50 C ATOM 59 O ASP A 367 -4.719 -14.591 6.409 1.00 4.10 O ATOM 60 CB ASP A 367 -3.629 -12.190 5.541 1.00 4.92 C ATOM 61 CG ASP A 367 -2.887 -11.037 4.894 1.00 5.55 C ATOM 62 OD1 ASP A 367 -1.909 -10.549 5.497 1.00 6.06 O ATOM 63 OD2 ASP A 367 -3.280 -10.628 3.782 1.00 5.80 O ATOM 0 H ASP A 367 -1.262 -13.677 4.288 1.00 4.67 H new ATOM 0 HA ASP A 367 -1.878 -13.124 6.351 1.00 4.80 H new ATOM 0 HB2 ASP A 367 -4.481 -12.465 4.920 1.00 4.92 H new ATOM 0 HB3 ASP A 367 -4.027 -11.869 6.504 1.00 4.92 H new ATOM 68 N PRO A 368 -2.774 -15.358 7.248 1.00 4.98 N ATOM 69 CA PRO A 368 -3.387 -16.445 8.018 1.00 5.12 C ATOM 70 C PRO A 368 -4.078 -15.941 9.283 1.00 5.15 C ATOM 71 O PRO A 368 -3.855 -16.466 10.375 1.00 5.66 O ATOM 72 CB PRO A 368 -2.194 -17.332 8.372 1.00 5.90 C ATOM 73 CG PRO A 368 -1.038 -16.396 8.436 1.00 6.16 C ATOM 74 CD PRO A 368 -1.305 -15.330 7.406 1.00 5.69 C ATOM 0 HA PRO A 368 -4.168 -16.959 7.458 1.00 5.12 H new ATOM 0 HB2 PRO A 368 -2.346 -17.840 9.324 1.00 5.90 H new ATOM 0 HB3 PRO A 368 -2.037 -18.105 7.620 1.00 5.90 H new ATOM 0 HG2 PRO A 368 -0.943 -15.961 9.431 1.00 6.16 H new ATOM 0 HG3 PRO A 368 -0.104 -16.916 8.225 1.00 6.16 H new ATOM 0 HD2 PRO A 368 -0.957 -14.353 7.741 1.00 5.69 H new ATOM 0 HD3 PRO A 368 -0.797 -15.545 6.466 1.00 5.69 H new ATOM 82 N LEU A 369 -4.910 -14.916 9.130 1.00 4.84 N ATOM 83 CA LEU A 369 -5.627 -14.334 10.254 1.00 5.12 C ATOM 84 C LEU A 369 -6.808 -13.503 9.761 1.00 4.61 C ATOM 85 O LEU A 369 -7.766 -13.268 10.500 1.00 4.91 O ATOM 86 CB LEU A 369 -4.688 -13.457 11.087 1.00 5.80 C ATOM 87 CG LEU A 369 -4.343 -12.095 10.475 1.00 6.34 C ATOM 88 CD1 LEU A 369 -3.491 -11.280 11.435 1.00 6.73 C ATOM 89 CD2 LEU A 369 -3.628 -12.261 9.143 1.00 6.94 C ATOM 0 H LEU A 369 -5.104 -14.471 8.233 1.00 4.84 H new ATOM 0 HA LEU A 369 -6.003 -15.145 10.878 1.00 5.12 H new ATOM 0 HB2 LEU A 369 -5.144 -13.292 12.063 1.00 5.80 H new ATOM 0 HB3 LEU A 369 -3.761 -14.005 11.256 1.00 5.80 H new ATOM 0 HG LEU A 369 -5.276 -11.560 10.296 1.00 6.34 H new ATOM 0 HD11 LEU A 369 -3.256 -10.316 10.984 1.00 6.73 H new ATOM 0 HD12 LEU A 369 -4.039 -11.122 12.364 1.00 6.73 H new ATOM 0 HD13 LEU A 369 -2.566 -11.817 11.647 1.00 6.73 H new ATOM 0 HD21 LEU A 369 -3.395 -11.279 8.730 1.00 6.94 H new ATOM 0 HD22 LEU A 369 -2.705 -12.820 9.293 1.00 6.94 H new ATOM 0 HD23 LEU A 369 -4.272 -12.802 8.450 1.00 6.94 H new ATOM 101 N MET A 370 -6.732 -13.060 8.508 1.00 4.12 N ATOM 102 CA MET A 370 -7.792 -12.252 7.918 1.00 3.87 C ATOM 103 C MET A 370 -7.758 -12.317 6.398 1.00 3.02 C ATOM 104 O MET A 370 -8.409 -11.525 5.715 1.00 3.06 O ATOM 105 CB MET A 370 -7.665 -10.800 8.374 1.00 4.63 C ATOM 106 CG MET A 370 -6.275 -10.220 8.173 1.00 5.03 C ATOM 107 SD MET A 370 -6.153 -8.501 8.705 1.00 5.63 S ATOM 108 CE MET A 370 -6.519 -8.660 10.451 1.00 5.52 C ATOM 0 H MET A 370 -5.947 -13.248 7.884 1.00 4.12 H new ATOM 0 HA MET A 370 -8.746 -12.657 8.256 1.00 3.87 H new ATOM 0 HB2 MET A 370 -8.386 -10.192 7.828 1.00 4.63 H new ATOM 0 HB3 MET A 370 -7.928 -10.735 9.430 1.00 4.63 H new ATOM 0 HG2 MET A 370 -5.552 -10.819 8.727 1.00 5.03 H new ATOM 0 HG3 MET A 370 -6.006 -10.290 7.119 1.00 5.03 H new ATOM 0 HE1 MET A 370 -6.211 -7.753 10.971 1.00 5.52 H new ATOM 0 HE2 MET A 370 -7.590 -8.810 10.586 1.00 5.52 H new ATOM 0 HE3 MET A 370 -5.979 -9.514 10.860 1.00 5.52 H new ATOM 118 N GLN A 371 -7.003 -13.280 5.890 1.00 2.80 N ATOM 119 CA GLN A 371 -6.854 -13.506 4.452 1.00 2.63 C ATOM 120 C GLN A 371 -6.844 -12.205 3.655 1.00 2.21 C ATOM 121 O GLN A 371 -7.303 -12.178 2.514 1.00 2.80 O ATOM 122 CB GLN A 371 -7.966 -14.425 3.950 1.00 3.46 C ATOM 123 CG GLN A 371 -7.910 -15.825 4.538 1.00 3.91 C ATOM 124 CD GLN A 371 -6.629 -16.555 4.186 1.00 4.54 C ATOM 125 OE1 GLN A 371 -6.321 -16.761 3.012 1.00 4.97 O ATOM 126 NE2 GLN A 371 -5.873 -16.948 5.205 1.00 5.04 N ATOM 0 H GLN A 371 -6.471 -13.934 6.465 1.00 2.80 H new ATOM 0 HA GLN A 371 -5.886 -13.983 4.297 1.00 2.63 H new ATOM 0 HB2 GLN A 371 -8.931 -13.978 4.189 1.00 3.46 H new ATOM 0 HB3 GLN A 371 -7.907 -14.494 2.864 1.00 3.46 H new ATOM 0 HG2 GLN A 371 -8.002 -15.763 5.622 1.00 3.91 H new ATOM 0 HG3 GLN A 371 -8.763 -16.401 4.178 1.00 3.91 H new ATOM 0 HE21 GLN A 371 -6.168 -16.756 6.162 1.00 5.04 H new ATOM 0 HE22 GLN A 371 -4.998 -17.442 5.030 1.00 5.04 H new ATOM 135 N LYS A 372 -6.297 -11.153 4.281 1.00 1.82 N ATOM 136 CA LYS A 372 -6.175 -9.806 3.701 1.00 1.77 C ATOM 137 C LYS A 372 -6.493 -8.743 4.748 1.00 1.50 C ATOM 138 O LYS A 372 -7.365 -8.940 5.595 1.00 1.89 O ATOM 139 CB LYS A 372 -7.096 -9.612 2.504 1.00 2.26 C ATOM 140 CG LYS A 372 -8.574 -9.542 2.864 1.00 2.93 C ATOM 141 CD LYS A 372 -9.439 -9.335 1.632 1.00 3.98 C ATOM 142 CE LYS A 372 -10.916 -9.298 1.990 1.00 4.77 C ATOM 143 NZ LYS A 372 -11.360 -10.558 2.649 1.00 5.39 N ATOM 0 H LYS A 372 -5.918 -11.216 5.226 1.00 1.82 H new ATOM 0 HA LYS A 372 -5.144 -9.701 3.362 1.00 1.77 H new ATOM 0 HB2 LYS A 372 -6.815 -8.694 1.987 1.00 2.26 H new ATOM 0 HB3 LYS A 372 -6.942 -10.433 1.803 1.00 2.26 H new ATOM 0 HG2 LYS A 372 -8.871 -10.462 3.368 1.00 2.93 H new ATOM 0 HG3 LYS A 372 -8.740 -8.726 3.567 1.00 2.93 H new ATOM 0 HD2 LYS A 372 -9.159 -8.403 1.141 1.00 3.98 H new ATOM 0 HD3 LYS A 372 -9.256 -10.138 0.918 1.00 3.98 H new ATOM 0 HE2 LYS A 372 -11.108 -8.454 2.653 1.00 4.77 H new ATOM 0 HE3 LYS A 372 -11.504 -9.134 1.087 1.00 4.77 H new ATOM 0 HZ1 LYS A 372 -12.399 -10.603 2.648 1.00 5.39 H new ATOM 0 HZ2 LYS A 372 -10.977 -11.374 2.131 1.00 5.39 H new ATOM 0 HZ3 LYS A 372 -11.014 -10.578 3.630 1.00 5.39 H new ATOM 157 N ILE A 373 -5.797 -7.611 4.681 1.00 1.42 N ATOM 158 CA ILE A 373 -6.033 -6.523 5.623 1.00 1.22 C ATOM 159 C ILE A 373 -7.476 -6.040 5.524 1.00 1.13 C ATOM 160 O ILE A 373 -7.964 -5.737 4.434 1.00 1.20 O ATOM 161 CB ILE A 373 -5.088 -5.331 5.367 1.00 1.16 C ATOM 162 CG1 ILE A 373 -3.627 -5.763 5.526 1.00 1.40 C ATOM 163 CG2 ILE A 373 -5.414 -4.182 6.313 1.00 1.26 C ATOM 164 CD1 ILE A 373 -2.631 -4.655 5.249 1.00 1.48 C ATOM 0 H ILE A 373 -5.071 -7.425 3.990 1.00 1.42 H new ATOM 0 HA ILE A 373 -5.837 -6.914 6.621 1.00 1.22 H new ATOM 0 HB ILE A 373 -5.234 -4.986 4.344 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -3.475 -6.131 6.540 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -3.428 -6.596 4.851 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -4.738 -3.349 6.120 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -6.443 -3.860 6.153 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -5.294 -4.514 7.344 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -1.618 -5.035 5.381 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -2.755 -4.302 4.225 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -2.802 -3.830 5.941 1.00 1.48 H new ATOM 176 N ASP A 374 -8.156 -5.973 6.663 1.00 1.16 N ATOM 177 CA ASP A 374 -9.544 -5.531 6.692 1.00 1.17 C ATOM 178 C ASP A 374 -9.640 -4.021 6.869 1.00 1.03 C ATOM 179 O ASP A 374 -9.033 -3.451 7.777 1.00 1.25 O ATOM 180 CB ASP A 374 -10.301 -6.236 7.820 1.00 1.40 C ATOM 181 CG ASP A 374 -10.396 -7.733 7.605 1.00 1.77 C ATOM 182 OD1 ASP A 374 -9.336 -8.390 7.520 1.00 2.17 O ATOM 183 OD2 ASP A 374 -11.529 -8.251 7.521 1.00 2.04 O ATOM 0 H ASP A 374 -7.770 -6.218 7.575 1.00 1.16 H new ATOM 0 HA ASP A 374 -9.997 -5.792 5.736 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -9.801 -6.039 8.768 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -11.305 -5.818 7.897 1.00 1.40 H new ATOM 188 N ILE A 375 -10.417 -3.380 6.002 1.00 0.84 N ATOM 189 CA ILE A 375 -10.608 -1.938 6.068 1.00 0.76 C ATOM 190 C ILE A 375 -11.713 -1.583 7.054 1.00 0.76 C ATOM 191 O ILE A 375 -11.608 -0.603 7.788 1.00 0.79 O ATOM 192 CB ILE A 375 -10.959 -1.344 4.691 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.804 -1.561 3.709 1.00 0.82 C ATOM 194 CG2 ILE A 375 -11.285 0.138 4.828 1.00 0.84 C ATOM 195 CD1 ILE A 375 -10.100 -1.083 2.303 1.00 0.92 C ATOM 0 H ILE A 375 -10.925 -3.838 5.245 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.663 -1.511 6.404 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.839 -1.854 4.298 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.921 -1.042 4.081 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.560 -2.623 3.678 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.532 0.548 3.849 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -12.135 0.263 5.499 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.422 0.664 5.235 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -9.236 -1.270 1.666 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -10.964 -1.620 1.910 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -10.314 -0.014 2.320 1.00 0.92 H new ATOM 207 N SER A 376 -12.771 -2.389 7.051 1.00 0.79 N ATOM 208 CA SER A 376 -13.912 -2.176 7.938 1.00 0.87 C ATOM 209 C SER A 376 -13.519 -2.386 9.393 1.00 0.96 C ATOM 210 O SER A 376 -13.884 -3.385 10.014 1.00 1.54 O ATOM 211 CB SER A 376 -15.056 -3.111 7.561 1.00 0.95 C ATOM 212 OG SER A 376 -16.165 -2.937 8.424 1.00 1.71 O ATOM 0 H SER A 376 -12.862 -3.201 6.440 1.00 0.79 H new ATOM 0 HA SER A 376 -14.244 -1.145 7.821 1.00 0.87 H new ATOM 0 HB2 SER A 376 -15.360 -2.922 6.531 1.00 0.95 H new ATOM 0 HB3 SER A 376 -14.714 -4.145 7.607 1.00 0.95 H new ATOM 0 HG SER A 376 -16.885 -3.547 8.159 1.00 1.71 H new ATOM 218 N GLU A 377 -12.769 -1.433 9.925 1.00 0.93 N ATOM 219 CA GLU A 377 -12.305 -1.486 11.300 1.00 1.03 C ATOM 220 C GLU A 377 -11.589 -0.191 11.648 1.00 0.87 C ATOM 221 O GLU A 377 -11.571 0.238 12.801 1.00 0.93 O ATOM 222 CB GLU A 377 -11.368 -2.678 11.506 1.00 1.18 C ATOM 223 CG GLU A 377 -10.112 -2.625 10.651 1.00 1.28 C ATOM 224 CD GLU A 377 -9.190 -3.802 10.898 1.00 1.54 C ATOM 225 OE1 GLU A 377 -9.626 -4.953 10.684 1.00 1.92 O ATOM 226 OE2 GLU A 377 -8.032 -3.574 11.307 1.00 1.90 O ATOM 0 H GLU A 377 -12.466 -0.603 9.415 1.00 0.93 H new ATOM 0 HA GLU A 377 -13.166 -1.609 11.957 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -11.080 -2.725 12.556 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -11.910 -3.597 11.283 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -10.394 -2.604 9.598 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -9.576 -1.699 10.856 1.00 1.28 H new ATOM 233 N ASN A 378 -11.005 0.424 10.627 1.00 0.71 N ATOM 234 CA ASN A 378 -10.281 1.682 10.793 1.00 0.61 C ATOM 235 C ASN A 378 -9.876 2.266 9.438 1.00 0.58 C ATOM 236 O ASN A 378 -8.695 2.494 9.183 1.00 0.59 O ATOM 237 CB ASN A 378 -9.045 1.477 11.680 1.00 0.62 C ATOM 238 CG ASN A 378 -8.139 0.352 11.204 1.00 1.15 C ATOM 239 OD1 ASN A 378 -7.272 -0.110 11.945 1.00 1.16 O ATOM 240 ND2 ASN A 378 -8.312 -0.078 9.960 1.00 2.14 N ATOM 0 H ASN A 378 -11.018 0.071 9.670 1.00 0.71 H new ATOM 0 HA ASN A 378 -10.947 2.393 11.282 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.473 2.404 11.713 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -9.369 1.266 12.699 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -7.715 -0.817 9.588 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -9.042 0.330 9.376 1.00 2.14 H new ATOM 247 N PRO A 379 -10.855 2.518 8.544 1.00 0.62 N ATOM 248 CA PRO A 379 -10.579 3.080 7.216 1.00 0.65 C ATOM 249 C PRO A 379 -9.752 4.355 7.300 1.00 0.61 C ATOM 250 O PRO A 379 -8.851 4.580 6.492 1.00 0.62 O ATOM 251 CB PRO A 379 -11.973 3.380 6.657 1.00 0.77 C ATOM 252 CG PRO A 379 -12.880 2.444 7.377 1.00 0.85 C ATOM 253 CD PRO A 379 -12.297 2.281 8.753 1.00 0.75 C ATOM 0 HA PRO A 379 -9.998 2.399 6.594 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.255 4.418 6.833 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.011 3.218 5.580 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -13.893 2.843 7.427 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -12.940 1.485 6.862 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.724 2.995 9.457 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.487 1.285 9.154 1.00 0.75 H new ATOM 261 N ASP A 380 -10.065 5.187 8.289 1.00 0.62 N ATOM 262 CA ASP A 380 -9.351 6.441 8.490 1.00 0.64 C ATOM 263 C ASP A 380 -7.881 6.185 8.804 1.00 0.55 C ATOM 264 O ASP A 380 -7.013 6.970 8.425 1.00 0.55 O ATOM 265 CB ASP A 380 -9.989 7.249 9.618 1.00 0.75 C ATOM 266 CG ASP A 380 -11.445 7.570 9.350 1.00 0.86 C ATOM 267 OD1 ASP A 380 -11.728 8.240 8.334 1.00 1.21 O ATOM 268 OD2 ASP A 380 -12.303 7.152 10.155 1.00 1.20 O ATOM 0 H ASP A 380 -10.810 5.014 8.964 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.415 7.014 7.565 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -9.909 6.691 10.551 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.435 8.178 9.754 1.00 0.75 H new ATOM 273 N LYS A 381 -7.612 5.084 9.507 1.00 0.51 N ATOM 274 CA LYS A 381 -6.246 4.728 9.877 1.00 0.47 C ATOM 275 C LYS A 381 -5.320 4.801 8.666 1.00 0.39 C ATOM 276 O LYS A 381 -5.545 4.133 7.661 1.00 0.37 O ATOM 277 CB LYS A 381 -6.203 3.324 10.487 1.00 0.50 C ATOM 278 CG LYS A 381 -4.795 2.822 10.765 1.00 0.52 C ATOM 279 CD LYS A 381 -4.806 1.445 11.409 1.00 0.59 C ATOM 280 CE LYS A 381 -3.397 0.907 11.597 1.00 0.67 C ATOM 281 NZ LYS A 381 -3.394 -0.421 12.272 1.00 1.66 N ATOM 0 H LYS A 381 -8.322 4.426 9.830 1.00 0.51 H new ATOM 0 HA LYS A 381 -5.900 5.445 10.621 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.770 3.324 11.418 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.701 2.628 9.811 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.232 2.783 9.833 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.280 3.526 11.419 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.308 1.498 12.375 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.380 0.757 10.789 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -2.909 0.822 10.626 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.814 1.615 12.186 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -2.414 -0.753 12.381 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -3.837 -0.335 13.209 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.929 -1.104 11.698 1.00 1.66 H new ATOM 295 N ILE A 382 -4.290 5.634 8.768 1.00 0.40 N ATOM 296 CA ILE A 382 -3.336 5.817 7.687 1.00 0.35 C ATOM 297 C ILE A 382 -2.456 4.582 7.484 1.00 0.34 C ATOM 298 O ILE A 382 -1.851 4.078 8.431 1.00 0.41 O ATOM 299 CB ILE A 382 -2.430 7.030 7.971 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.264 8.223 8.455 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.631 7.399 6.734 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.387 8.612 7.516 1.00 0.37 C ATOM 0 H ILE A 382 -4.096 6.196 9.597 1.00 0.40 H new ATOM 0 HA ILE A 382 -3.915 5.983 6.779 1.00 0.35 H new ATOM 0 HB ILE A 382 -1.730 6.760 8.762 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -3.687 7.985 9.431 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -2.606 9.081 8.593 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -0.997 8.258 6.953 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.009 6.555 6.438 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.313 7.650 5.922 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -4.929 9.463 7.929 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -3.972 8.883 6.545 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.069 7.771 7.397 1.00 0.37 H new ATOM 314 N TYR A 383 -2.370 4.117 6.238 1.00 0.30 N ATOM 315 CA TYR A 383 -1.540 2.960 5.903 1.00 0.30 C ATOM 316 C TYR A 383 -0.330 3.398 5.087 1.00 0.28 C ATOM 317 O TYR A 383 -0.423 4.315 4.275 1.00 0.25 O ATOM 318 CB TYR A 383 -2.329 1.913 5.109 1.00 0.32 C ATOM 319 CG TYR A 383 -3.481 1.290 5.863 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.705 1.941 5.958 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.340 0.064 6.497 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.756 1.386 6.661 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.388 -0.500 7.201 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.607 0.121 7.222 1.00 0.52 C ATOM 325 OH TYR A 383 -6.636 -0.390 7.982 1.00 0.63 O ATOM 0 H TYR A 383 -2.865 4.524 5.444 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.212 2.511 6.840 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.715 2.378 4.202 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.646 1.123 4.796 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.837 2.897 5.474 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.396 -0.458 6.440 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.683 1.928 6.774 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.245 -1.429 7.733 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.503 -1.353 8.107 1.00 0.63 H new ATOM 335 N PHE A 384 0.802 2.741 5.300 1.00 0.31 N ATOM 336 CA PHE A 384 2.020 3.072 4.567 1.00 0.30 C ATOM 337 C PHE A 384 2.067 2.336 3.227 1.00 0.28 C ATOM 338 O PHE A 384 1.897 1.119 3.172 1.00 0.33 O ATOM 339 CB PHE A 384 3.259 2.727 5.404 1.00 0.40 C ATOM 340 CG PHE A 384 3.485 3.642 6.582 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.431 4.049 7.390 1.00 0.83 C ATOM 342 CD2 PHE A 384 4.761 4.093 6.883 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.647 4.884 8.469 1.00 0.96 C ATOM 344 CE2 PHE A 384 4.983 4.928 7.961 1.00 0.64 C ATOM 345 CZ PHE A 384 3.924 5.324 8.756 1.00 0.74 C ATOM 0 H PHE A 384 0.904 1.979 5.971 1.00 0.31 H new ATOM 0 HA PHE A 384 2.016 4.144 4.370 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.165 1.703 5.766 1.00 0.40 H new ATOM 0 HB3 PHE A 384 4.138 2.758 4.761 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.430 3.708 7.172 1.00 0.83 H new ATOM 0 HD2 PHE A 384 5.593 3.787 6.266 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.817 5.193 9.088 1.00 0.96 H new ATOM 0 HE2 PHE A 384 5.983 5.271 8.182 1.00 0.64 H new ATOM 0 HZ PHE A 384 4.095 5.976 9.600 1.00 0.74 H new ATOM 355 N ILE A 385 2.300 3.086 2.151 1.00 0.26 N ATOM 356 CA ILE A 385 2.376 2.512 0.806 1.00 0.27 C ATOM 357 C ILE A 385 3.792 2.629 0.250 1.00 0.24 C ATOM 358 O ILE A 385 4.381 3.709 0.251 1.00 0.30 O ATOM 359 CB ILE A 385 1.393 3.200 -0.174 1.00 0.33 C ATOM 360 CG1 ILE A 385 -0.059 2.853 0.170 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.701 2.801 -1.611 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.515 3.362 1.518 1.00 0.32 C ATOM 0 H ILE A 385 2.440 4.096 2.184 1.00 0.26 H new ATOM 0 HA ILE A 385 2.098 1.462 0.896 1.00 0.27 H new ATOM 0 HB ILE A 385 1.521 4.278 -0.074 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.711 3.264 -0.601 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.178 1.770 0.144 1.00 0.32 H new ATOM 0 HG21 ILE A 385 1.000 3.295 -2.284 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.718 3.102 -1.862 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.606 1.720 -1.717 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.553 3.074 1.684 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.110 2.931 2.300 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.431 4.448 1.544 1.00 0.32 H new ATOM 374 N ARG A 386 4.336 1.512 -0.218 1.00 0.29 N ATOM 375 CA ARG A 386 5.687 1.499 -0.766 1.00 0.30 C ATOM 376 C ARG A 386 5.667 1.578 -2.288 1.00 0.33 C ATOM 377 O ARG A 386 5.102 0.713 -2.958 1.00 0.42 O ATOM 378 CB ARG A 386 6.420 0.233 -0.320 1.00 0.38 C ATOM 379 CG ARG A 386 7.906 0.226 -0.653 1.00 0.50 C ATOM 380 CD ARG A 386 8.620 1.422 -0.041 1.00 1.02 C ATOM 381 NE ARG A 386 10.072 1.272 -0.077 1.00 1.40 N ATOM 382 CZ ARG A 386 10.924 2.212 0.324 1.00 1.86 C ATOM 383 NH1 ARG A 386 10.480 3.407 0.696 1.00 2.42 N ATOM 384 NH2 ARG A 386 12.227 1.970 0.322 1.00 2.39 N ATOM 0 H ARG A 386 3.865 0.607 -0.229 1.00 0.29 H new ATOM 0 HA ARG A 386 6.213 2.375 -0.388 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.299 0.116 0.757 1.00 0.38 H new ATOM 0 HB3 ARG A 386 5.949 -0.631 -0.789 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.358 -0.696 -0.286 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.038 0.237 -1.735 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.336 2.327 -0.578 1.00 1.02 H new ATOM 0 HD3 ARG A 386 8.294 1.549 0.992 1.00 1.02 H new ATOM 0 HE ARG A 386 10.456 0.395 -0.430 1.00 1.40 H new ATOM 0 HH11 ARG A 386 9.480 3.609 0.675 1.00 2.42 H new ATOM 0 HH12 ARG A 386 11.139 4.123 1.002 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.577 1.063 0.013 1.00 2.39 H new ATOM 0 HH22 ARG A 386 12.880 2.691 0.629 1.00 2.39 H new ATOM 398 N ARG A 387 6.298 2.615 -2.827 1.00 0.41 N ATOM 399 CA ARG A 387 6.369 2.798 -4.270 1.00 0.51 C ATOM 400 C ARG A 387 7.506 1.974 -4.858 1.00 0.49 C ATOM 401 O ARG A 387 8.448 1.612 -4.153 1.00 0.47 O ATOM 402 CB ARG A 387 6.553 4.275 -4.620 1.00 0.63 C ATOM 403 CG ARG A 387 5.378 5.150 -4.215 1.00 0.84 C ATOM 404 CD ARG A 387 5.539 6.570 -4.732 1.00 0.94 C ATOM 405 NE ARG A 387 5.594 6.616 -6.191 1.00 1.32 N ATOM 406 CZ ARG A 387 5.752 7.737 -6.890 1.00 1.79 C ATOM 407 NH1 ARG A 387 5.877 8.901 -6.266 1.00 2.30 N ATOM 408 NH2 ARG A 387 5.786 7.693 -8.214 1.00 2.25 N ATOM 0 H ARG A 387 6.767 3.341 -2.286 1.00 0.41 H new ATOM 0 HA ARG A 387 5.429 2.455 -4.702 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.455 4.645 -4.133 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.710 4.368 -5.695 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.453 4.723 -4.603 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.291 5.165 -3.129 1.00 0.84 H new ATOM 0 HD2 ARG A 387 4.707 7.181 -4.381 1.00 0.94 H new ATOM 0 HD3 ARG A 387 6.450 7.005 -4.321 1.00 0.94 H new ATOM 0 HE ARG A 387 5.506 5.738 -6.703 1.00 1.32 H new ATOM 0 HH11 ARG A 387 5.852 8.939 -5.247 1.00 2.30 H new ATOM 0 HH12 ARG A 387 5.998 9.758 -6.805 1.00 2.30 H new ATOM 0 HH21 ARG A 387 5.691 6.800 -8.697 1.00 2.25 H new ATOM 0 HH22 ARG A 387 5.907 8.552 -8.750 1.00 2.25 H new ATOM 422 N GLU A 388 7.409 1.672 -6.148 1.00 0.64 N ATOM 423 CA GLU A 388 8.430 0.884 -6.828 1.00 0.69 C ATOM 424 C GLU A 388 9.813 1.518 -6.677 1.00 0.61 C ATOM 425 O GLU A 388 10.809 0.818 -6.492 1.00 0.63 O ATOM 426 CB GLU A 388 8.083 0.729 -8.311 1.00 0.88 C ATOM 427 CG GLU A 388 7.941 2.052 -9.047 1.00 1.58 C ATOM 428 CD GLU A 388 7.584 1.869 -10.509 1.00 2.20 C ATOM 429 OE1 GLU A 388 6.520 1.278 -10.790 1.00 2.65 O ATOM 430 OE2 GLU A 388 8.367 2.318 -11.373 1.00 2.82 O ATOM 0 H GLU A 388 6.633 1.961 -6.744 1.00 0.64 H new ATOM 0 HA GLU A 388 8.456 -0.101 -6.362 1.00 0.69 H new ATOM 0 HB2 GLU A 388 8.857 0.135 -8.796 1.00 0.88 H new ATOM 0 HB3 GLU A 388 7.151 0.172 -8.401 1.00 0.88 H new ATOM 0 HG2 GLU A 388 7.172 2.653 -8.561 1.00 1.58 H new ATOM 0 HG3 GLU A 388 8.876 2.608 -8.972 1.00 1.58 H new ATOM 437 N ASP A 389 9.869 2.846 -6.761 1.00 0.65 N ATOM 438 CA ASP A 389 11.132 3.572 -6.640 1.00 0.69 C ATOM 439 C ASP A 389 11.660 3.553 -5.203 1.00 0.64 C ATOM 440 O ASP A 389 12.671 4.188 -4.897 1.00 0.91 O ATOM 441 CB ASP A 389 10.973 5.013 -7.132 1.00 0.81 C ATOM 442 CG ASP A 389 9.873 5.763 -6.408 1.00 0.80 C ATOM 443 OD1 ASP A 389 8.714 5.302 -6.446 1.00 1.06 O ATOM 444 OD2 ASP A 389 10.171 6.818 -5.810 1.00 1.23 O ATOM 0 H ASP A 389 9.055 3.441 -6.912 1.00 0.65 H new ATOM 0 HA ASP A 389 11.864 3.064 -7.268 1.00 0.69 H new ATOM 0 HB2 ASP A 389 11.916 5.543 -7.000 1.00 0.81 H new ATOM 0 HB3 ASP A 389 10.759 5.006 -8.201 1.00 0.81 H new ATOM 449 N GLY A 390 10.982 2.810 -4.332 1.00 0.55 N ATOM 450 CA GLY A 390 11.407 2.706 -2.945 1.00 0.53 C ATOM 451 C GLY A 390 11.122 3.951 -2.122 1.00 0.55 C ATOM 452 O GLY A 390 11.969 4.389 -1.344 1.00 1.03 O ATOM 0 H GLY A 390 10.144 2.277 -4.562 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.906 1.855 -2.484 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.477 2.500 -2.917 1.00 0.53 H new ATOM 456 N THR A 391 9.927 4.512 -2.277 1.00 0.57 N ATOM 457 CA THR A 391 9.538 5.700 -1.522 1.00 0.54 C ATOM 458 C THR A 391 8.271 5.458 -0.706 1.00 0.41 C ATOM 459 O THR A 391 7.183 5.310 -1.266 1.00 0.44 O ATOM 460 CB THR A 391 9.319 6.916 -2.439 1.00 0.71 C ATOM 461 OG1 THR A 391 8.450 6.569 -3.522 1.00 0.98 O ATOM 462 CG2 THR A 391 10.644 7.429 -2.981 1.00 0.88 C ATOM 0 H THR A 391 9.212 4.165 -2.917 1.00 0.57 H new ATOM 0 HA THR A 391 10.365 5.913 -0.845 1.00 0.54 H new ATOM 0 HB THR A 391 8.856 7.708 -1.850 1.00 0.71 H new ATOM 0 HG1 THR A 391 8.896 6.760 -4.373 1.00 0.98 H new ATOM 0 HG21 THR A 391 10.465 8.289 -3.627 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.286 7.726 -2.152 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.132 6.641 -3.554 1.00 0.88 H new ATOM 470 N VAL A 392 8.409 5.434 0.619 1.00 0.37 N ATOM 471 CA VAL A 392 7.264 5.228 1.500 1.00 0.33 C ATOM 472 C VAL A 392 6.341 6.441 1.465 1.00 0.32 C ATOM 473 O VAL A 392 6.802 7.581 1.521 1.00 0.41 O ATOM 474 CB VAL A 392 7.695 4.976 2.963 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.481 4.917 3.878 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.504 3.695 3.078 1.00 0.52 C ATOM 0 H VAL A 392 9.299 5.554 1.103 1.00 0.37 H new ATOM 0 HA VAL A 392 6.741 4.344 1.135 1.00 0.33 H new ATOM 0 HB VAL A 392 8.326 5.809 3.275 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.806 4.739 4.903 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.941 5.863 3.828 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.825 4.107 3.560 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.795 3.541 4.117 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.901 2.852 2.741 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.398 3.772 2.459 1.00 0.52 H new ATOM 486 N HIS A 393 5.039 6.191 1.376 1.00 0.29 N ATOM 487 CA HIS A 393 4.058 7.268 1.338 1.00 0.31 C ATOM 488 C HIS A 393 2.723 6.815 1.926 1.00 0.27 C ATOM 489 O HIS A 393 2.221 5.743 1.595 1.00 0.26 O ATOM 490 CB HIS A 393 3.842 7.753 -0.099 1.00 0.37 C ATOM 491 CG HIS A 393 5.012 8.482 -0.683 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.478 9.680 -0.184 1.00 1.92 N ATOM 493 CD2 HIS A 393 5.807 8.181 -1.737 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.507 10.085 -0.908 1.00 2.43 C ATOM 495 NE2 HIS A 393 6.726 9.193 -1.855 1.00 1.82 N ATOM 0 H HIS A 393 4.640 5.254 1.329 1.00 0.29 H new ATOM 0 HA HIS A 393 4.448 8.089 1.940 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.612 6.894 -0.730 1.00 0.37 H new ATOM 0 HB3 HIS A 393 2.971 8.408 -0.122 1.00 0.37 H new ATOM 0 HD2 HIS A 393 5.732 7.307 -2.367 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.072 10.992 -0.751 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.460 9.247 -2.561 1.00 1.82 H new ATOM 504 N ARG A 394 2.156 7.642 2.797 1.00 0.29 N ATOM 505 CA ARG A 394 0.879 7.337 3.442 1.00 0.28 C ATOM 506 C ARG A 394 -0.245 7.138 2.424 1.00 0.26 C ATOM 507 O ARG A 394 -0.201 7.678 1.319 1.00 0.32 O ATOM 508 CB ARG A 394 0.510 8.450 4.421 1.00 0.35 C ATOM 509 CG ARG A 394 1.464 8.552 5.598 1.00 0.42 C ATOM 510 CD ARG A 394 1.038 9.640 6.570 1.00 0.52 C ATOM 511 NE ARG A 394 1.094 10.968 5.964 1.00 1.34 N ATOM 512 CZ ARG A 394 0.762 12.086 6.603 1.00 2.01 C ATOM 513 NH1 ARG A 394 0.342 12.037 7.860 1.00 2.41 N ATOM 514 NH2 ARG A 394 0.848 13.256 5.985 1.00 2.96 N ATOM 0 H ARG A 394 2.562 8.535 3.076 1.00 0.29 H new ATOM 0 HA ARG A 394 0.999 6.399 3.983 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.495 9.402 3.890 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.500 8.277 4.794 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.505 7.595 6.118 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.470 8.761 5.235 1.00 0.42 H new ATOM 0 HD2 ARG A 394 0.023 9.441 6.914 1.00 0.52 H new ATOM 0 HD3 ARG A 394 1.683 9.615 7.448 1.00 0.52 H new ATOM 0 HE ARG A 394 1.406 11.042 4.996 1.00 1.34 H new ATOM 0 HH11 ARG A 394 0.273 11.140 8.340 1.00 2.41 H new ATOM 0 HH12 ARG A 394 0.088 12.897 8.347 1.00 2.41 H new ATOM 0 HH21 ARG A 394 1.169 13.300 5.018 1.00 2.96 H new ATOM 0 HH22 ARG A 394 0.593 14.112 6.477 1.00 2.96 H new ATOM 528 N GLY A 395 -1.251 6.350 2.815 1.00 0.23 N ATOM 529 CA GLY A 395 -2.382 6.074 1.942 1.00 0.25 C ATOM 530 C GLY A 395 -3.461 5.245 2.629 1.00 0.23 C ATOM 531 O GLY A 395 -3.160 4.235 3.266 1.00 0.26 O ATOM 0 H GLY A 395 -1.300 5.897 3.727 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.813 7.016 1.602 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -2.032 5.546 1.055 1.00 0.25 H new ATOM 535 N GLN A 396 -4.718 5.673 2.501 1.00 0.29 N ATOM 536 CA GLN A 396 -5.845 4.967 3.117 1.00 0.34 C ATOM 537 C GLN A 396 -6.524 4.016 2.133 1.00 0.35 C ATOM 538 O GLN A 396 -7.161 4.454 1.176 1.00 0.46 O ATOM 539 CB GLN A 396 -6.881 5.962 3.646 1.00 0.43 C ATOM 540 CG GLN A 396 -6.367 6.858 4.758 1.00 0.50 C ATOM 541 CD GLN A 396 -7.458 7.732 5.346 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.534 7.249 5.694 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.176 9.021 5.480 1.00 0.61 N ATOM 0 H GLN A 396 -4.982 6.506 1.976 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.440 4.382 3.943 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.225 6.586 2.821 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.747 5.409 4.010 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -5.934 6.242 5.546 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.567 7.490 4.372 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -6.270 9.379 5.178 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -7.865 9.654 5.886 1.00 0.61 H new ATOM 552 N VAL A 397 -6.400 2.715 2.380 1.00 0.33 N ATOM 553 CA VAL A 397 -7.023 1.715 1.515 1.00 0.33 C ATOM 554 C VAL A 397 -8.543 1.856 1.555 1.00 0.33 C ATOM 555 O VAL A 397 -9.125 2.040 2.625 1.00 0.37 O ATOM 556 CB VAL A 397 -6.645 0.282 1.934 1.00 0.38 C ATOM 557 CG1 VAL A 397 -6.873 -0.690 0.789 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.209 0.225 2.426 1.00 0.83 C ATOM 0 H VAL A 397 -5.878 2.329 3.166 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.655 1.890 0.504 1.00 0.33 H new ATOM 0 HB VAL A 397 -7.292 -0.016 2.759 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.600 -1.696 1.106 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.924 -0.673 0.501 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.259 -0.399 -0.063 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.964 -0.797 2.716 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.538 0.546 1.629 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -5.093 0.884 3.286 1.00 0.83 H new ATOM 568 N LEU A 398 -9.183 1.784 0.392 1.00 0.36 N ATOM 569 CA LEU A 398 -10.634 1.923 0.316 1.00 0.40 C ATOM 570 C LEU A 398 -11.301 0.685 -0.281 1.00 0.41 C ATOM 571 O LEU A 398 -12.378 0.282 0.157 1.00 0.47 O ATOM 572 CB LEU A 398 -11.004 3.158 -0.505 1.00 0.46 C ATOM 573 CG LEU A 398 -10.535 4.493 0.082 1.00 0.49 C ATOM 574 CD1 LEU A 398 -10.897 5.639 -0.851 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.142 4.714 1.459 1.00 1.45 C ATOM 0 H LEU A 398 -8.724 1.631 -0.506 1.00 0.36 H new ATOM 0 HA LEU A 398 -11.001 2.037 1.336 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -10.583 3.050 -1.504 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.088 3.189 -0.618 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.450 4.462 0.187 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.557 6.581 -0.420 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.416 5.488 -1.817 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -11.978 5.671 -0.986 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.797 5.667 1.860 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.229 4.725 1.380 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.835 3.908 2.126 1.00 1.45 H new ATOM 587 N GLN A 399 -10.671 0.094 -1.293 1.00 0.39 N ATOM 588 CA GLN A 399 -11.232 -1.085 -1.951 1.00 0.43 C ATOM 589 C GLN A 399 -10.151 -2.110 -2.284 1.00 0.38 C ATOM 590 O GLN A 399 -8.966 -1.879 -2.055 1.00 0.35 O ATOM 591 CB GLN A 399 -11.969 -0.678 -3.229 1.00 0.49 C ATOM 592 CG GLN A 399 -13.143 0.257 -2.985 1.00 0.60 C ATOM 593 CD GLN A 399 -13.868 0.627 -4.264 1.00 1.36 C ATOM 594 OE1 GLN A 399 -13.277 1.187 -5.187 1.00 2.08 O ATOM 595 NE2 GLN A 399 -15.158 0.316 -4.323 1.00 2.04 N ATOM 0 H GLN A 399 -9.778 0.408 -1.674 1.00 0.39 H new ATOM 0 HA GLN A 399 -11.934 -1.546 -1.257 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.265 -0.194 -3.906 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.329 -1.576 -3.732 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.844 -0.217 -2.298 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -12.785 1.165 -2.499 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -15.607 -0.148 -3.534 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -15.699 0.541 -5.158 1.00 2.04 H new ATOM 604 N SER A 400 -10.582 -3.250 -2.820 1.00 0.42 N ATOM 605 CA SER A 400 -9.668 -4.326 -3.190 1.00 0.41 C ATOM 606 C SER A 400 -10.364 -5.312 -4.127 1.00 0.47 C ATOM 607 O SER A 400 -11.584 -5.470 -4.072 1.00 0.54 O ATOM 608 CB SER A 400 -9.160 -5.053 -1.946 1.00 0.47 C ATOM 609 OG SER A 400 -10.221 -5.686 -1.253 1.00 0.56 O ATOM 0 H SER A 400 -11.564 -3.452 -3.008 1.00 0.42 H new ATOM 0 HA SER A 400 -8.814 -3.889 -3.708 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.416 -5.796 -2.234 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.662 -4.344 -1.285 1.00 0.47 H new ATOM 0 HG SER A 400 -9.868 -6.145 -0.462 1.00 0.56 H new ATOM 615 N ARG A 401 -9.592 -5.962 -4.997 1.00 0.51 N ATOM 616 CA ARG A 401 -10.160 -6.912 -5.948 1.00 0.60 C ATOM 617 C ARG A 401 -9.125 -7.935 -6.418 1.00 0.73 C ATOM 618 O ARG A 401 -8.005 -7.579 -6.778 1.00 0.86 O ATOM 619 CB ARG A 401 -10.703 -6.158 -7.166 1.00 0.65 C ATOM 620 CG ARG A 401 -9.606 -5.504 -7.991 1.00 0.72 C ATOM 621 CD ARG A 401 -10.153 -4.787 -9.213 1.00 0.91 C ATOM 622 NE ARG A 401 -9.076 -4.318 -10.080 1.00 1.02 N ATOM 623 CZ ARG A 401 -9.266 -3.583 -11.170 1.00 1.25 C ATOM 624 NH1 ARG A 401 -10.490 -3.216 -11.522 1.00 1.55 N ATOM 625 NH2 ARG A 401 -8.227 -3.216 -11.908 1.00 1.43 N ATOM 0 H ARG A 401 -8.580 -5.849 -5.062 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.962 -7.447 -5.440 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.262 -6.850 -7.796 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.404 -5.394 -6.831 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -9.062 -4.793 -7.369 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -8.891 -6.263 -8.308 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -10.805 -5.460 -9.771 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -10.763 -3.941 -8.898 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.119 -4.570 -9.834 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -11.290 -3.498 -10.955 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -10.632 -2.652 -12.360 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -7.285 -3.498 -11.638 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -8.370 -2.652 -12.745 1.00 1.43 H new ATOM 639 N THR A 402 -9.523 -9.203 -6.441 1.00 0.82 N ATOM 640 CA THR A 402 -8.649 -10.277 -6.900 1.00 0.99 C ATOM 641 C THR A 402 -8.595 -10.300 -8.420 1.00 1.16 C ATOM 642 O THR A 402 -9.619 -10.152 -9.088 1.00 1.79 O ATOM 643 CB THR A 402 -9.129 -11.650 -6.395 1.00 1.14 C ATOM 644 OG1 THR A 402 -10.514 -11.834 -6.712 1.00 1.38 O ATOM 645 CG2 THR A 402 -8.920 -11.778 -4.897 1.00 1.29 C ATOM 0 H THR A 402 -10.449 -9.513 -6.146 1.00 0.82 H new ATOM 0 HA THR A 402 -7.656 -10.083 -6.495 1.00 0.99 H new ATOM 0 HB THR A 402 -8.541 -12.422 -6.892 1.00 1.14 H new ATOM 0 HG1 THR A 402 -10.810 -12.710 -6.389 1.00 1.38 H new ATOM 0 HG21 THR A 402 -9.267 -12.756 -4.564 1.00 1.29 H new ATOM 0 HG22 THR A 402 -7.860 -11.671 -4.667 1.00 1.29 H new ATOM 0 HG23 THR A 402 -9.483 -10.999 -4.383 1.00 1.29 H new ATOM 653 N THR A 403 -7.399 -10.477 -8.962 1.00 1.43 N ATOM 654 CA THR A 403 -7.215 -10.510 -10.405 1.00 1.62 C ATOM 655 C THR A 403 -7.954 -11.703 -11.020 1.00 1.84 C ATOM 656 O THR A 403 -8.688 -12.409 -10.330 1.00 1.85 O ATOM 657 CB THR A 403 -5.718 -10.570 -10.766 1.00 1.77 C ATOM 658 OG1 THR A 403 -4.965 -9.786 -9.831 1.00 1.78 O ATOM 659 CG2 THR A 403 -5.471 -10.032 -12.169 1.00 1.95 C ATOM 0 H THR A 403 -6.541 -10.600 -8.424 1.00 1.43 H new ATOM 0 HA THR A 403 -7.634 -9.592 -10.816 1.00 1.62 H new ATOM 0 HB THR A 403 -5.403 -11.613 -10.727 1.00 1.77 H new ATOM 0 HG1 THR A 403 -4.013 -9.827 -10.061 1.00 1.78 H new ATOM 0 HG21 THR A 403 -4.407 -10.086 -12.397 1.00 1.95 H new ATOM 0 HG22 THR A 403 -6.028 -10.629 -12.891 1.00 1.95 H new ATOM 0 HG23 THR A 403 -5.802 -8.995 -12.224 1.00 1.95 H new ATOM 667 N GLU A 404 -7.770 -11.909 -12.322 1.00 2.08 N ATOM 668 CA GLU A 404 -8.429 -12.998 -13.042 1.00 2.34 C ATOM 669 C GLU A 404 -8.289 -14.340 -12.323 1.00 2.30 C ATOM 670 O GLU A 404 -9.250 -15.107 -12.243 1.00 2.37 O ATOM 671 CB GLU A 404 -7.856 -13.109 -14.455 1.00 2.72 C ATOM 672 CG GLU A 404 -8.028 -11.846 -15.281 1.00 2.91 C ATOM 673 CD GLU A 404 -7.424 -11.967 -16.667 1.00 3.42 C ATOM 674 OE1 GLU A 404 -7.859 -12.858 -17.428 1.00 3.87 O ATOM 675 OE2 GLU A 404 -6.519 -11.172 -16.992 1.00 3.79 O ATOM 0 H GLU A 404 -7.165 -11.331 -12.905 1.00 2.08 H new ATOM 0 HA GLU A 404 -9.492 -12.760 -13.086 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -6.795 -13.349 -14.390 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -8.340 -13.939 -14.970 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -9.090 -11.617 -15.371 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -7.564 -11.009 -14.759 1.00 2.91 H new ATOM 682 N ASN A 405 -7.093 -14.627 -11.819 1.00 2.26 N ATOM 683 CA ASN A 405 -6.840 -15.890 -11.126 1.00 2.30 C ATOM 684 C ASN A 405 -7.811 -16.094 -9.963 1.00 2.07 C ATOM 685 O ASN A 405 -8.429 -17.152 -9.841 1.00 2.40 O ATOM 686 CB ASN A 405 -5.398 -15.937 -10.621 1.00 2.43 C ATOM 687 CG ASN A 405 -5.053 -17.266 -9.976 1.00 2.67 C ATOM 688 OD1 ASN A 405 -5.145 -18.318 -10.608 1.00 3.16 O ATOM 689 ND2 ASN A 405 -4.651 -17.223 -8.711 1.00 2.73 N ATOM 0 H ASN A 405 -6.285 -14.007 -11.876 1.00 2.26 H new ATOM 0 HA ASN A 405 -6.996 -16.699 -11.840 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -4.719 -15.753 -11.453 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -5.243 -15.135 -9.899 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -4.404 -18.085 -8.225 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -4.589 -16.328 -8.226 1.00 2.73 H new ATOM 696 N ALA A 406 -7.944 -15.076 -9.116 1.00 1.82 N ATOM 697 CA ALA A 406 -8.845 -15.143 -7.966 1.00 1.67 C ATOM 698 C ALA A 406 -8.506 -16.322 -7.056 1.00 1.85 C ATOM 699 O ALA A 406 -9.338 -17.199 -6.819 1.00 2.18 O ATOM 700 CB ALA A 406 -10.291 -15.223 -8.429 1.00 1.72 C ATOM 0 H ALA A 406 -7.439 -14.194 -9.204 1.00 1.82 H new ATOM 0 HA ALA A 406 -8.712 -14.230 -7.386 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -10.949 -15.272 -7.561 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -10.534 -14.339 -9.019 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -10.429 -16.115 -9.040 1.00 1.72 H new ATOM 706 N ALA A 407 -7.280 -16.331 -6.549 1.00 1.91 N ATOM 707 CA ALA A 407 -6.814 -17.389 -5.660 1.00 2.19 C ATOM 708 C ALA A 407 -5.692 -16.871 -4.772 1.00 2.37 C ATOM 709 O ALA A 407 -5.176 -17.583 -3.911 1.00 2.77 O ATOM 710 CB ALA A 407 -6.338 -18.586 -6.469 1.00 2.38 C ATOM 0 H ALA A 407 -6.584 -15.610 -6.740 1.00 1.91 H new ATOM 0 HA ALA A 407 -7.643 -17.705 -5.027 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -5.993 -19.368 -5.793 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -7.161 -18.967 -7.074 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -5.519 -18.282 -7.121 1.00 2.38 H new ATOM 716 N ALA A 408 -5.333 -15.615 -5.003 1.00 2.15 N ATOM 717 CA ALA A 408 -4.278 -14.943 -4.258 1.00 2.35 C ATOM 718 C ALA A 408 -4.133 -13.498 -4.736 1.00 2.05 C ATOM 719 O ALA A 408 -4.112 -12.573 -3.923 1.00 1.99 O ATOM 720 CB ALA A 408 -2.956 -15.688 -4.391 1.00 2.76 C ATOM 0 H ALA A 408 -5.769 -15.031 -5.717 1.00 2.15 H new ATOM 0 HA ALA A 408 -4.553 -14.937 -3.203 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -2.185 -15.165 -3.825 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -3.068 -16.700 -4.002 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -2.668 -15.733 -5.441 1.00 2.76 H new ATOM 726 N PRO A 409 -4.040 -13.276 -6.069 1.00 1.99 N ATOM 727 CA PRO A 409 -3.912 -11.932 -6.634 1.00 1.80 C ATOM 728 C PRO A 409 -5.020 -11.008 -6.175 1.00 1.41 C ATOM 729 O PRO A 409 -6.169 -11.422 -6.052 1.00 1.86 O ATOM 730 CB PRO A 409 -3.997 -12.146 -8.150 1.00 2.10 C ATOM 731 CG PRO A 409 -4.529 -13.527 -8.324 1.00 2.49 C ATOM 732 CD PRO A 409 -4.058 -14.298 -7.129 1.00 2.27 C ATOM 0 HA PRO A 409 -2.984 -11.457 -6.316 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -4.654 -11.410 -8.615 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -3.018 -12.040 -8.618 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -5.617 -13.522 -8.383 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -4.162 -13.974 -9.248 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -4.731 -15.120 -6.887 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -3.071 -14.731 -7.290 1.00 2.27 H new ATOM 740 N ASP A 410 -4.660 -9.756 -5.921 1.00 0.92 N ATOM 741 CA ASP A 410 -5.619 -8.761 -5.472 1.00 0.79 C ATOM 742 C ASP A 410 -4.961 -7.393 -5.323 1.00 0.68 C ATOM 743 O ASP A 410 -3.898 -7.263 -4.717 1.00 0.93 O ATOM 744 CB ASP A 410 -6.259 -9.187 -4.146 1.00 1.18 C ATOM 745 CG ASP A 410 -5.235 -9.518 -3.074 1.00 1.62 C ATOM 746 OD1 ASP A 410 -4.025 -9.441 -3.369 1.00 1.99 O ATOM 747 OD2 ASP A 410 -5.642 -9.849 -1.940 1.00 2.14 O ATOM 0 H ASP A 410 -3.707 -9.407 -6.020 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.399 -8.685 -6.229 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -6.907 -8.387 -3.788 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -6.892 -10.057 -4.317 1.00 1.18 H new ATOM 752 N GLU A 411 -5.610 -6.374 -5.875 1.00 0.54 N ATOM 753 CA GLU A 411 -5.105 -5.011 -5.799 1.00 0.45 C ATOM 754 C GLU A 411 -5.975 -4.198 -4.853 1.00 0.40 C ATOM 755 O GLU A 411 -7.200 -4.294 -4.890 1.00 0.42 O ATOM 756 CB GLU A 411 -5.086 -4.366 -7.184 1.00 0.49 C ATOM 757 CG GLU A 411 -4.171 -5.069 -8.173 1.00 0.58 C ATOM 758 CD GLU A 411 -4.154 -4.399 -9.533 1.00 1.47 C ATOM 759 OE1 GLU A 411 -4.863 -3.384 -9.703 1.00 2.10 O ATOM 760 OE2 GLU A 411 -3.434 -4.887 -10.430 1.00 2.08 O ATOM 0 H GLU A 411 -6.490 -6.468 -6.382 1.00 0.54 H new ATOM 0 HA GLU A 411 -4.083 -5.034 -5.420 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.100 -4.356 -7.584 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.771 -3.327 -7.087 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.158 -5.092 -7.771 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -4.493 -6.104 -8.287 1.00 0.58 H new ATOM 767 N TYR A 412 -5.340 -3.419 -3.988 1.00 0.38 N ATOM 768 CA TYR A 412 -6.071 -2.623 -3.016 1.00 0.35 C ATOM 769 C TYR A 412 -6.016 -1.137 -3.348 1.00 0.33 C ATOM 770 O TYR A 412 -4.941 -0.539 -3.394 1.00 0.34 O ATOM 771 CB TYR A 412 -5.506 -2.855 -1.611 1.00 0.39 C ATOM 772 CG TYR A 412 -5.603 -4.289 -1.128 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.053 -5.326 -1.870 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.251 -4.607 0.061 1.00 0.53 C ATOM 775 CE1 TYR A 412 -5.143 -6.637 -1.441 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.344 -5.913 0.496 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.771 -6.915 -0.227 1.00 0.62 C ATOM 778 OH TYR A 412 -5.883 -8.227 0.174 1.00 0.72 O ATOM 0 H TYR A 412 -4.326 -3.322 -3.940 1.00 0.38 H new ATOM 0 HA TYR A 412 -7.113 -2.940 -3.051 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.460 -2.550 -1.598 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -6.035 -2.211 -0.909 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.546 -5.105 -2.798 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.689 -3.818 0.654 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.732 -7.437 -2.039 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -6.872 -6.141 1.410 1.00 0.61 H new ATOM 0 HH TYR A 412 -5.477 -8.811 -0.500 1.00 0.72 H new ATOM 788 N TYR A 413 -7.189 -0.546 -3.548 1.00 0.33 N ATOM 789 CA TYR A 413 -7.291 0.875 -3.843 1.00 0.32 C ATOM 790 C TYR A 413 -6.713 1.663 -2.678 1.00 0.32 C ATOM 791 O TYR A 413 -6.948 1.317 -1.521 1.00 0.40 O ATOM 792 CB TYR A 413 -8.757 1.260 -4.059 1.00 0.36 C ATOM 793 CG TYR A 413 -8.957 2.673 -4.565 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.144 3.195 -5.563 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.956 3.488 -4.043 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.320 4.485 -6.028 1.00 0.44 C ATOM 797 CE2 TYR A 413 -10.138 4.779 -4.501 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.331 5.269 -5.498 1.00 0.46 C ATOM 799 OH TYR A 413 -9.495 6.557 -5.953 1.00 0.51 O ATOM 0 H TYR A 413 -8.085 -1.033 -3.511 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.734 1.102 -4.752 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.203 0.564 -4.770 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.295 1.143 -3.118 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.360 2.582 -5.983 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.601 3.105 -3.266 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.674 4.878 -6.799 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.912 5.400 -4.076 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.247 6.976 -5.484 1.00 0.51 H new ATOM 809 N VAL A 414 -5.940 2.702 -2.966 1.00 0.33 N ATOM 810 CA VAL A 414 -5.336 3.479 -1.895 1.00 0.33 C ATOM 811 C VAL A 414 -5.414 4.983 -2.136 1.00 0.29 C ATOM 812 O VAL A 414 -5.041 5.485 -3.196 1.00 0.38 O ATOM 813 CB VAL A 414 -3.863 3.076 -1.679 1.00 0.39 C ATOM 814 CG1 VAL A 414 -3.054 3.279 -2.951 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.261 3.858 -0.523 1.00 1.15 C ATOM 0 H VAL A 414 -5.721 3.020 -3.910 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.916 3.253 -1.000 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.831 2.016 -1.427 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -2.019 2.988 -2.774 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.472 2.666 -3.750 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.091 4.329 -3.242 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.221 3.561 -0.385 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.307 4.925 -0.742 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.822 3.650 0.388 1.00 1.15 H new ATOM 825 N HIS A 415 -5.879 5.690 -1.111 1.00 0.33 N ATOM 826 CA HIS A 415 -5.991 7.142 -1.147 1.00 0.32 C ATOM 827 C HIS A 415 -4.835 7.748 -0.365 1.00 0.32 C ATOM 828 O HIS A 415 -4.944 7.960 0.842 1.00 0.34 O ATOM 829 CB HIS A 415 -7.324 7.586 -0.537 1.00 0.37 C ATOM 830 CG HIS A 415 -7.499 9.073 -0.478 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.560 9.873 -1.599 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.625 9.908 0.582 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.713 11.134 -1.233 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.756 11.181 0.085 1.00 0.62 N ATOM 0 H HIS A 415 -6.188 5.272 -0.233 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.954 7.483 -2.182 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -8.140 7.157 -1.119 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.404 7.180 0.471 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -7.497 9.543 -2.562 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -7.623 9.625 1.624 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.790 11.981 -1.899 1.00 0.60 H new ATOM 843 N TYR A 416 -3.722 8.002 -1.046 1.00 0.37 N ATOM 844 CA TYR A 416 -2.547 8.554 -0.385 1.00 0.40 C ATOM 845 C TYR A 416 -2.925 9.719 0.516 1.00 0.45 C ATOM 846 O TYR A 416 -3.546 10.690 0.082 1.00 0.57 O ATOM 847 CB TYR A 416 -1.496 8.981 -1.410 1.00 0.46 C ATOM 848 CG TYR A 416 -0.881 7.817 -2.154 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.621 7.078 -3.067 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.444 7.459 -1.942 1.00 0.51 C ATOM 851 CE1 TYR A 416 -1.058 6.014 -3.747 1.00 0.59 C ATOM 852 CE2 TYR A 416 1.015 6.399 -2.619 1.00 0.54 C ATOM 853 CZ TYR A 416 0.259 5.679 -3.520 1.00 0.57 C ATOM 854 OH TYR A 416 0.823 4.622 -4.197 1.00 0.65 O ATOM 0 H TYR A 416 -3.610 7.836 -2.046 1.00 0.37 H new ATOM 0 HA TYR A 416 -2.115 7.771 0.239 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.954 9.661 -2.128 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.708 9.537 -0.902 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.653 7.338 -3.249 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.038 8.019 -1.235 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.648 5.448 -4.453 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.048 6.136 -2.444 1.00 0.54 H new ATOM 0 HH TYR A 416 1.758 4.519 -3.923 1.00 0.65 H new ATOM 864 N VAL A 417 -2.553 9.595 1.783 1.00 0.45 N ATOM 865 CA VAL A 417 -2.849 10.611 2.780 1.00 0.55 C ATOM 866 C VAL A 417 -1.950 11.822 2.607 1.00 0.66 C ATOM 867 O VAL A 417 -0.726 11.705 2.579 1.00 1.34 O ATOM 868 CB VAL A 417 -2.697 10.028 4.195 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.095 11.034 5.264 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.532 8.771 4.310 1.00 1.01 C ATOM 0 H VAL A 417 -2.040 8.791 2.146 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.881 10.934 2.641 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.647 9.786 4.358 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -2.974 10.585 6.250 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -2.460 11.917 5.187 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.137 11.323 5.122 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.427 8.355 5.312 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.579 9.011 4.125 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.192 8.040 3.576 1.00 1.01 H new ATOM 880 N GLY A 418 -2.574 12.985 2.481 1.00 0.71 N ATOM 881 CA GLY A 418 -1.826 14.214 2.295 1.00 0.82 C ATOM 882 C GLY A 418 -1.368 14.398 0.857 1.00 0.72 C ATOM 883 O GLY A 418 -1.456 15.496 0.307 1.00 0.76 O ATOM 0 H GLY A 418 -3.587 13.100 2.504 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.445 15.062 2.588 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.957 14.211 2.953 1.00 0.82 H new ATOM 887 N LEU A 419 -0.877 13.320 0.247 1.00 0.66 N ATOM 888 CA LEU A 419 -0.404 13.365 -1.134 1.00 0.60 C ATOM 889 C LEU A 419 -1.543 13.661 -2.104 1.00 0.59 C ATOM 890 O LEU A 419 -2.702 13.339 -1.837 1.00 0.76 O ATOM 891 CB LEU A 419 0.275 12.048 -1.525 1.00 0.58 C ATOM 892 CG LEU A 419 1.629 11.784 -0.862 1.00 0.78 C ATOM 893 CD1 LEU A 419 1.460 11.489 0.619 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.347 10.638 -1.560 1.00 1.40 C ATOM 0 H LEU A 419 -0.797 12.404 0.689 1.00 0.66 H new ATOM 0 HA LEU A 419 0.325 14.173 -1.197 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.397 11.226 -1.279 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.411 12.036 -2.606 1.00 0.58 H new ATOM 0 HG LEU A 419 2.237 12.683 -0.958 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.436 11.305 1.067 1.00 1.60 H new ATOM 0 HD12 LEU A 419 0.991 12.342 1.109 1.00 1.60 H new ATOM 0 HD13 LEU A 419 0.831 10.608 0.745 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.308 10.463 -1.077 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.739 9.735 -1.497 1.00 1.40 H new ATOM 0 HD23 LEU A 419 2.509 10.894 -2.607 1.00 1.40 H new ATOM 906 N ASN A 420 -1.200 14.279 -3.229 1.00 0.61 N ATOM 907 CA ASN A 420 -2.180 14.628 -4.252 1.00 0.63 C ATOM 908 C ASN A 420 -2.926 13.391 -4.748 1.00 0.56 C ATOM 909 O ASN A 420 -2.459 12.263 -4.586 1.00 0.56 O ATOM 910 CB ASN A 420 -1.488 15.333 -5.422 1.00 0.75 C ATOM 911 CG ASN A 420 -2.473 15.858 -6.447 1.00 1.57 C ATOM 912 OD1 ASN A 420 -3.404 16.591 -6.114 1.00 2.53 O ATOM 913 ND2 ASN A 420 -2.261 15.497 -7.705 1.00 1.98 N ATOM 0 H ASN A 420 -0.243 14.550 -3.457 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.910 15.304 -3.807 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -0.889 16.160 -5.041 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -0.801 14.639 -5.905 1.00 0.75 H new ATOM 0 HD21 ASN A 420 -2.883 15.829 -8.442 1.00 1.98 H new ATOM 0 HD22 ASN A 420 -1.476 14.887 -7.935 1.00 1.98 H new ATOM 920 N ARG A 421 -4.088 13.614 -5.353 1.00 0.62 N ATOM 921 CA ARG A 421 -4.911 12.530 -5.878 1.00 0.67 C ATOM 922 C ARG A 421 -4.168 11.782 -6.977 1.00 0.66 C ATOM 923 O ARG A 421 -4.415 10.603 -7.226 1.00 0.69 O ATOM 924 CB ARG A 421 -6.228 13.085 -6.424 1.00 0.87 C ATOM 925 CG ARG A 421 -7.014 13.894 -5.405 1.00 1.09 C ATOM 926 CD ARG A 421 -8.274 14.485 -6.017 1.00 1.51 C ATOM 927 NE ARG A 421 -9.016 15.306 -5.063 1.00 2.25 N ATOM 928 CZ ARG A 421 -9.573 14.832 -3.951 1.00 3.00 C ATOM 929 NH1 ARG A 421 -9.493 13.541 -3.660 1.00 3.28 N ATOM 930 NH2 ARG A 421 -10.215 15.650 -3.130 1.00 3.98 N ATOM 0 H ARG A 421 -4.484 14.544 -5.493 1.00 0.62 H new ATOM 0 HA ARG A 421 -5.127 11.836 -5.066 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -6.017 13.713 -7.290 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.845 12.257 -6.773 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -7.282 13.258 -4.562 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -6.388 14.696 -5.013 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -8.006 15.090 -6.884 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -8.914 13.679 -6.376 1.00 1.51 H new ATOM 0 HE ARG A 421 -9.113 16.302 -5.261 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -9.003 12.906 -4.290 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -9.922 13.183 -2.806 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -10.283 16.644 -3.350 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -10.642 15.286 -2.278 1.00 3.98 H new ATOM 944 N ARG A 422 -3.257 12.491 -7.628 1.00 0.71 N ATOM 945 CA ARG A 422 -2.458 11.939 -8.703 1.00 0.83 C ATOM 946 C ARG A 422 -1.768 10.642 -8.289 1.00 0.72 C ATOM 947 O ARG A 422 -1.620 9.722 -9.094 1.00 0.77 O ATOM 948 CB ARG A 422 -1.429 12.983 -9.127 1.00 1.01 C ATOM 949 CG ARG A 422 -0.349 12.438 -10.022 1.00 1.19 C ATOM 950 CD ARG A 422 0.661 13.512 -10.393 1.00 1.49 C ATOM 951 NE ARG A 422 1.731 12.989 -11.237 1.00 2.09 N ATOM 952 CZ ARG A 422 2.755 13.720 -11.668 1.00 2.79 C ATOM 953 NH1 ARG A 422 2.849 15.000 -11.328 1.00 3.07 N ATOM 954 NH2 ARG A 422 3.686 13.173 -12.435 1.00 3.71 N ATOM 0 H ARG A 422 -3.053 13.469 -7.422 1.00 0.71 H new ATOM 0 HA ARG A 422 -3.112 11.694 -9.540 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -1.940 13.796 -9.643 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -0.969 13.410 -8.236 1.00 1.01 H new ATOM 0 HG2 ARG A 422 0.161 11.616 -9.520 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -0.797 12.030 -10.928 1.00 1.19 H new ATOM 0 HD2 ARG A 422 0.152 14.323 -10.914 1.00 1.49 H new ATOM 0 HD3 ARG A 422 1.090 13.935 -9.485 1.00 1.49 H new ATOM 0 HE ARG A 422 1.691 12.007 -11.512 1.00 2.09 H new ATOM 0 HH11 ARG A 422 2.135 15.424 -10.735 1.00 3.07 H new ATOM 0 HH12 ARG A 422 3.635 15.559 -11.659 1.00 3.07 H new ATOM 0 HH21 ARG A 422 3.618 12.189 -12.696 1.00 3.71 H new ATOM 0 HH22 ARG A 422 4.471 13.735 -12.765 1.00 3.71 H new ATOM 968 N LEU A 423 -1.342 10.580 -7.036 1.00 0.65 N ATOM 969 CA LEU A 423 -0.660 9.402 -6.516 1.00 0.62 C ATOM 970 C LEU A 423 -1.608 8.209 -6.400 1.00 0.52 C ATOM 971 O LEU A 423 -1.200 7.063 -6.592 1.00 0.53 O ATOM 972 CB LEU A 423 -0.037 9.704 -5.150 1.00 0.69 C ATOM 973 CG LEU A 423 1.072 10.766 -5.141 1.00 0.89 C ATOM 974 CD1 LEU A 423 2.130 10.456 -6.189 1.00 1.31 C ATOM 975 CD2 LEU A 423 0.496 12.158 -5.355 1.00 1.49 C ATOM 0 H LEU A 423 -1.457 11.333 -6.358 1.00 0.65 H new ATOM 0 HA LEU A 423 0.128 9.142 -7.223 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.829 10.027 -4.474 1.00 0.69 H new ATOM 0 HB3 LEU A 423 0.370 8.778 -4.745 1.00 0.69 H new ATOM 0 HG LEU A 423 1.548 10.743 -4.160 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.904 11.223 -6.162 1.00 1.31 H new ATOM 0 HD12 LEU A 423 2.575 9.483 -5.980 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.670 10.439 -7.177 1.00 1.31 H new ATOM 0 HD21 LEU A 423 1.303 12.891 -5.344 1.00 1.49 H new ATOM 0 HD22 LEU A 423 -0.016 12.196 -6.316 1.00 1.49 H new ATOM 0 HD23 LEU A 423 -0.212 12.385 -4.558 1.00 1.49 H new ATOM 987 N ASP A 424 -2.867 8.488 -6.071 1.00 0.49 N ATOM 988 CA ASP A 424 -3.881 7.446 -5.909 1.00 0.50 C ATOM 989 C ASP A 424 -3.848 6.428 -7.048 1.00 0.45 C ATOM 990 O ASP A 424 -3.662 6.781 -8.212 1.00 0.49 O ATOM 991 CB ASP A 424 -5.271 8.074 -5.823 1.00 0.66 C ATOM 992 CG ASP A 424 -5.431 8.949 -4.597 1.00 0.81 C ATOM 993 OD1 ASP A 424 -4.634 9.896 -4.434 1.00 0.97 O ATOM 994 OD2 ASP A 424 -6.356 8.688 -3.802 1.00 1.20 O ATOM 0 H ASP A 424 -3.212 9.434 -5.910 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.655 6.917 -4.983 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.455 8.669 -6.718 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -6.023 7.285 -5.805 1.00 0.66 H new ATOM 999 N GLY A 425 -4.039 5.159 -6.691 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.037 4.092 -7.677 1.00 0.50 C ATOM 1001 C GLY A 425 -4.317 2.735 -7.054 1.00 0.45 C ATOM 1002 O GLY A 425 -5.127 2.625 -6.131 1.00 0.70 O ATOM 0 H GLY A 425 -4.196 4.851 -5.731 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -4.788 4.302 -8.439 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -3.071 4.066 -8.180 1.00 0.50 H new ATOM 1006 N TRP A 426 -3.642 1.702 -7.553 1.00 0.50 N ATOM 1007 CA TRP A 426 -3.821 0.349 -7.037 1.00 0.44 C ATOM 1008 C TRP A 426 -2.473 -0.292 -6.716 1.00 0.45 C ATOM 1009 O TRP A 426 -1.508 -0.148 -7.468 1.00 0.57 O ATOM 1010 CB TRP A 426 -4.592 -0.521 -8.036 1.00 0.47 C ATOM 1011 CG TRP A 426 -5.994 -0.052 -8.286 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -6.379 1.090 -8.930 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.201 -0.710 -7.882 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -7.750 1.176 -8.959 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.278 0.083 -8.321 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -7.474 -1.896 -7.195 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -9.605 -0.273 -8.094 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -8.793 -2.247 -6.970 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -9.843 -1.438 -7.419 1.00 0.59 C ATOM 0 H TRP A 426 -2.967 1.777 -8.314 1.00 0.50 H new ATOM 0 HA TRP A 426 -4.402 0.419 -6.117 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.050 -0.540 -8.982 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -4.622 -1.546 -7.665 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -5.704 1.819 -9.354 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -8.288 1.930 -9.386 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -6.670 -2.527 -6.846 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -10.418 0.349 -8.439 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.016 -3.161 -6.439 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -10.862 -1.740 -7.228 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.415 -0.992 -5.587 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.191 -1.652 -5.147 1.00 0.46 C ATOM 1032 C VAL A 427 -1.430 -3.136 -4.878 1.00 0.51 C ATOM 1033 O VAL A 427 -2.533 -3.538 -4.512 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.630 -0.990 -3.879 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.149 0.422 -4.180 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.685 -0.973 -2.789 1.00 0.85 C ATOM 0 H VAL A 427 -3.207 -1.117 -4.957 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.465 -1.550 -5.953 1.00 0.46 H new ATOM 0 HB VAL A 427 0.223 -1.572 -3.530 1.00 0.64 H new ATOM 0 HG11 VAL A 427 0.245 0.874 -3.270 1.00 0.89 H new ATOM 0 HG12 VAL A 427 0.636 0.386 -4.936 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -0.982 1.019 -4.551 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -1.277 -0.502 -1.895 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.553 -0.410 -3.132 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.984 -1.995 -2.556 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.397 -3.948 -5.086 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.522 -5.381 -4.884 1.00 0.65 C ATOM 1048 C GLY A 428 -0.498 -5.817 -3.425 1.00 0.79 C ATOM 1049 O GLY A 428 -0.087 -6.935 -3.133 1.00 1.72 O ATOM 0 H GLY A 428 0.526 -3.638 -5.391 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.455 -5.719 -5.336 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.289 -5.882 -5.413 1.00 0.65 H new ATOM 1053 N ARG A 429 -0.964 -4.954 -2.518 1.00 0.54 N ATOM 1054 CA ARG A 429 -1.018 -5.274 -1.081 1.00 0.54 C ATOM 1055 C ARG A 429 0.356 -5.220 -0.398 1.00 0.49 C ATOM 1056 O ARG A 429 0.477 -4.686 0.705 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.656 -6.654 -0.864 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.526 -7.185 0.556 1.00 0.83 C ATOM 1059 CD ARG A 429 -2.177 -6.259 1.572 1.00 0.85 C ATOM 1060 NE ARG A 429 -2.072 -6.781 2.933 1.00 1.20 N ATOM 1061 CZ ARG A 429 -0.924 -6.883 3.601 1.00 1.26 C ATOM 1062 NH1 ARG A 429 0.205 -6.435 3.068 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -0.911 -7.416 4.816 1.00 1.65 N ATOM 0 H ARG A 429 -1.312 -4.024 -2.751 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.633 -4.503 -0.617 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.713 -6.598 -1.124 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -1.197 -7.366 -1.550 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.986 -8.171 0.618 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.471 -7.309 0.802 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.706 -5.277 1.523 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -3.228 -6.121 1.316 1.00 0.85 H new ATOM 0 HE ARG A 429 -2.927 -7.085 3.398 1.00 1.20 H new ATOM 0 HH11 ARG A 429 0.198 -6.009 2.141 1.00 1.73 H new ATOM 0 HH12 ARG A 429 1.080 -6.516 3.585 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -1.779 -7.747 5.237 1.00 1.65 H new ATOM 0 HH22 ARG A 429 -0.033 -7.495 5.329 1.00 1.65 H new ATOM 1077 N HIS A 430 1.381 -5.778 -1.038 1.00 0.49 N ATOM 1078 CA HIS A 430 2.735 -5.794 -0.464 1.00 0.53 C ATOM 1079 C HIS A 430 3.149 -4.394 -0.056 1.00 0.47 C ATOM 1080 O HIS A 430 3.956 -4.196 0.854 1.00 0.49 O ATOM 1081 CB HIS A 430 3.766 -6.293 -1.484 1.00 0.65 C ATOM 1082 CG HIS A 430 3.300 -7.416 -2.351 1.00 0.77 C ATOM 1083 ND1 HIS A 430 3.987 -7.828 -3.470 1.00 1.20 N ATOM 1084 CD2 HIS A 430 2.207 -8.199 -2.275 1.00 1.47 C ATOM 1085 CE1 HIS A 430 3.330 -8.813 -4.047 1.00 1.31 C ATOM 1086 NE2 HIS A 430 2.246 -9.063 -3.338 1.00 1.46 N ATOM 0 H HIS A 430 1.306 -6.225 -1.952 1.00 0.49 H new ATOM 0 HA HIS A 430 2.708 -6.461 0.397 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.058 -5.458 -2.121 1.00 0.65 H new ATOM 0 HB3 HIS A 430 4.660 -6.613 -0.948 1.00 0.65 H new ATOM 0 HD2 HIS A 430 1.440 -8.154 -1.516 1.00 1.47 H new ATOM 0 HE1 HIS A 430 3.628 -9.329 -4.948 1.00 1.31 H new ATOM 0 HE2 HIS A 430 1.552 -9.781 -3.546 1.00 1.46 H new ATOM 1095 N ARG A 431 2.622 -3.437 -0.791 1.00 0.43 N ATOM 1096 CA ARG A 431 2.938 -2.038 -0.601 1.00 0.41 C ATOM 1097 C ARG A 431 2.195 -1.424 0.585 1.00 0.37 C ATOM 1098 O ARG A 431 2.727 -0.540 1.257 1.00 0.57 O ATOM 1099 CB ARG A 431 2.624 -1.318 -1.906 1.00 0.44 C ATOM 1100 CG ARG A 431 3.132 -2.094 -3.120 1.00 0.53 C ATOM 1101 CD ARG A 431 2.829 -1.372 -4.423 1.00 0.64 C ATOM 1102 NE ARG A 431 3.504 -1.989 -5.563 1.00 1.39 N ATOM 1103 CZ ARG A 431 3.312 -3.247 -5.955 1.00 2.05 C ATOM 1104 NH1 ARG A 431 2.458 -4.030 -5.308 1.00 2.55 N ATOM 1105 NH2 ARG A 431 3.975 -3.723 -6.999 1.00 2.84 N ATOM 0 H ARG A 431 1.956 -3.611 -1.544 1.00 0.43 H new ATOM 0 HA ARG A 431 3.994 -1.931 -0.355 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.547 -1.174 -1.991 1.00 0.44 H new ATOM 0 HB3 ARG A 431 3.078 -0.327 -1.892 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.208 -2.244 -3.030 1.00 0.53 H new ATOM 0 HG3 ARG A 431 2.672 -3.082 -3.137 1.00 0.53 H new ATOM 0 HD2 ARG A 431 1.753 -1.373 -4.596 1.00 0.64 H new ATOM 0 HD3 ARG A 431 3.138 -0.330 -4.340 1.00 0.64 H new ATOM 0 HE ARG A 431 4.164 -1.420 -6.092 1.00 1.39 H new ATOM 0 HH11 ARG A 431 1.943 -3.669 -4.505 1.00 2.55 H new ATOM 0 HH12 ARG A 431 2.316 -4.993 -5.614 1.00 2.55 H new ATOM 0 HH21 ARG A 431 4.632 -3.126 -7.502 1.00 2.84 H new ATOM 0 HH22 ARG A 431 3.829 -4.687 -7.300 1.00 2.84 H new ATOM 1119 N ILE A 432 0.981 -1.897 0.860 1.00 0.39 N ATOM 1120 CA ILE A 432 0.214 -1.378 1.991 1.00 0.36 C ATOM 1121 C ILE A 432 0.544 -2.160 3.261 1.00 0.38 C ATOM 1122 O ILE A 432 0.524 -3.390 3.264 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.309 -1.435 1.739 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.671 -0.617 0.498 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -2.062 -0.918 2.957 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -3.131 -0.711 0.111 1.00 0.46 C ATOM 0 H ILE A 432 0.513 -2.628 0.324 1.00 0.39 H new ATOM 0 HA ILE A 432 0.498 -0.333 2.113 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.599 -2.471 1.566 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -1.418 0.428 0.676 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -1.060 -0.954 -0.339 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -3.135 -0.963 2.768 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.820 -1.534 3.823 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.771 0.114 3.154 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.312 -0.105 -0.777 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.385 -1.750 -0.100 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.749 -0.346 0.931 1.00 0.46 H new ATOM 1138 N SER A 433 0.860 -1.434 4.332 1.00 0.34 N ATOM 1139 CA SER A 433 1.213 -2.051 5.608 1.00 0.38 C ATOM 1140 C SER A 433 1.167 -1.032 6.744 1.00 0.36 C ATOM 1141 O SER A 433 1.519 0.133 6.562 1.00 0.34 O ATOM 1142 CB SER A 433 2.611 -2.666 5.530 1.00 0.41 C ATOM 1143 OG SER A 433 2.637 -3.779 4.653 1.00 0.53 O ATOM 0 H SER A 433 0.879 -0.414 4.340 1.00 0.34 H new ATOM 0 HA SER A 433 0.482 -2.833 5.813 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.322 -1.914 5.188 1.00 0.41 H new ATOM 0 HB3 SER A 433 2.930 -2.977 6.525 1.00 0.41 H new ATOM 0 HG SER A 433 1.728 -3.969 4.339 1.00 0.53 H new ATOM 1149 N ASP A 434 0.729 -1.484 7.915 1.00 0.43 N ATOM 1150 CA ASP A 434 0.630 -0.621 9.090 1.00 0.48 C ATOM 1151 C ASP A 434 2.006 -0.308 9.680 1.00 0.48 C ATOM 1152 O ASP A 434 2.110 0.141 10.822 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.252 -1.278 10.154 1.00 0.60 C ATOM 1154 CG ASP A 434 0.307 -2.603 10.634 1.00 0.83 C ATOM 1155 OD1 ASP A 434 0.460 -3.521 9.801 1.00 1.12 O ATOM 1156 OD2 ASP A 434 0.593 -2.723 11.844 1.00 1.35 O ATOM 0 H ASP A 434 0.435 -2.447 8.077 1.00 0.43 H new ATOM 0 HA ASP A 434 0.179 0.319 8.771 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.356 -0.602 11.003 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.251 -1.435 9.747 1.00 0.60 H new ATOM 1161 N ASN A 435 3.061 -0.545 8.901 1.00 0.43 N ATOM 1162 CA ASN A 435 4.421 -0.282 9.362 1.00 0.47 C ATOM 1163 C ASN A 435 5.383 -0.135 8.184 1.00 0.39 C ATOM 1164 O ASN A 435 5.334 -0.907 7.227 1.00 0.38 O ATOM 1165 CB ASN A 435 4.893 -1.399 10.297 1.00 0.59 C ATOM 1166 CG ASN A 435 4.818 -2.770 9.654 1.00 1.26 C ATOM 1167 OD1 ASN A 435 5.489 -3.042 8.660 1.00 2.16 O ATOM 1168 ND2 ASN A 435 3.996 -3.645 10.223 1.00 1.81 N ATOM 0 H ASN A 435 3.000 -0.917 7.953 1.00 0.43 H new ATOM 0 HA ASN A 435 4.414 0.659 9.913 1.00 0.47 H new ATOM 0 HB2 ASN A 435 5.920 -1.201 10.603 1.00 0.59 H new ATOM 0 HB3 ASN A 435 4.284 -1.392 11.201 1.00 0.59 H new ATOM 0 HD21 ASN A 435 3.903 -4.584 9.836 1.00 1.81 H new ATOM 0 HD22 ASN A 435 3.458 -3.378 11.047 1.00 1.81 H new ATOM 1175 N ALA A 436 6.242 0.875 8.262 1.00 0.49 N ATOM 1176 CA ALA A 436 7.213 1.155 7.208 1.00 0.55 C ATOM 1177 C ALA A 436 8.302 0.086 7.127 1.00 0.55 C ATOM 1178 O ALA A 436 8.904 -0.111 6.072 1.00 0.54 O ATOM 1179 CB ALA A 436 7.840 2.522 7.428 1.00 0.75 C ATOM 0 H ALA A 436 6.286 1.519 9.051 1.00 0.49 H new ATOM 0 HA ALA A 436 6.676 1.146 6.259 1.00 0.55 H new ATOM 0 HB1 ALA A 436 8.563 2.722 6.637 1.00 0.75 H new ATOM 0 HB2 ALA A 436 7.063 3.286 7.411 1.00 0.75 H new ATOM 0 HB3 ALA A 436 8.345 2.540 8.394 1.00 0.75 H new ATOM 1185 N ASP A 437 8.564 -0.581 8.249 1.00 0.65 N ATOM 1186 CA ASP A 437 9.600 -1.614 8.309 1.00 0.75 C ATOM 1187 C ASP A 437 9.506 -2.582 7.128 1.00 0.71 C ATOM 1188 O ASP A 437 10.523 -2.977 6.558 1.00 0.78 O ATOM 1189 CB ASP A 437 9.496 -2.391 9.624 1.00 0.92 C ATOM 1190 CG ASP A 437 9.671 -1.501 10.840 1.00 1.02 C ATOM 1191 OD1 ASP A 437 9.882 -0.283 10.657 1.00 1.34 O ATOM 1192 OD2 ASP A 437 9.597 -2.018 11.974 1.00 1.34 O ATOM 0 H ASP A 437 8.074 -0.426 9.130 1.00 0.65 H new ATOM 0 HA ASP A 437 10.566 -1.112 8.256 1.00 0.75 H new ATOM 0 HB2 ASP A 437 8.525 -2.884 9.675 1.00 0.92 H new ATOM 0 HB3 ASP A 437 10.253 -3.175 9.640 1.00 0.92 H new ATOM 1197 N ASP A 438 8.285 -2.956 6.762 1.00 0.68 N ATOM 1198 CA ASP A 438 8.065 -3.873 5.646 1.00 0.73 C ATOM 1199 C ASP A 438 8.327 -3.185 4.315 1.00 0.73 C ATOM 1200 O ASP A 438 8.775 -3.812 3.354 1.00 1.35 O ATOM 1201 CB ASP A 438 6.637 -4.421 5.681 1.00 0.88 C ATOM 1202 CG ASP A 438 6.358 -5.232 6.932 1.00 1.08 C ATOM 1203 OD1 ASP A 438 7.280 -5.377 7.764 1.00 1.36 O ATOM 1204 OD2 ASP A 438 5.221 -5.724 7.079 1.00 1.56 O ATOM 0 H ASP A 438 7.431 -2.639 7.221 1.00 0.68 H new ATOM 0 HA ASP A 438 8.766 -4.702 5.747 1.00 0.73 H new ATOM 0 HB2 ASP A 438 5.931 -3.592 5.624 1.00 0.88 H new ATOM 0 HB3 ASP A 438 6.468 -5.044 4.803 1.00 0.88 H new ATOM 1209 N LEU A 439 8.031 -1.897 4.267 1.00 0.54 N ATOM 1210 CA LEU A 439 8.213 -1.109 3.058 1.00 0.53 C ATOM 1211 C LEU A 439 9.677 -0.728 2.842 1.00 0.61 C ATOM 1212 O LEU A 439 10.399 -1.402 2.108 1.00 0.86 O ATOM 1213 CB LEU A 439 7.332 0.139 3.112 1.00 0.52 C ATOM 1214 CG LEU A 439 5.831 -0.134 3.018 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.311 -0.811 4.267 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.064 1.149 2.771 1.00 1.10 C ATOM 0 H LEU A 439 7.660 -1.371 5.058 1.00 0.54 H new ATOM 0 HA LEU A 439 7.913 -1.723 2.209 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.533 0.669 4.043 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.618 0.805 2.298 1.00 0.52 H new ATOM 0 HG LEU A 439 5.677 -0.807 2.175 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.241 -0.990 4.165 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.826 -1.761 4.407 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.491 -0.170 5.130 1.00 1.12 H new ATOM 0 HD21 LEU A 439 3.998 0.929 2.708 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.243 1.844 3.591 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.398 1.598 1.836 1.00 1.10 H new ATOM 1228 N GLY A 440 10.110 0.358 3.478 1.00 0.59 N ATOM 1229 CA GLY A 440 11.484 0.804 3.331 1.00 0.77 C ATOM 1230 C GLY A 440 12.011 1.482 4.579 1.00 0.96 C ATOM 1231 O GLY A 440 12.892 2.339 4.500 1.00 1.36 O ATOM 0 H GLY A 440 9.535 0.936 4.091 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.116 -0.051 3.091 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.550 1.495 2.491 1.00 0.77 H new ATOM 1235 N GLY A 441 11.478 1.088 5.734 1.00 0.93 N ATOM 1236 CA GLY A 441 11.915 1.665 6.994 1.00 1.24 C ATOM 1237 C GLY A 441 11.957 3.176 6.959 1.00 1.14 C ATOM 1238 O GLY A 441 12.992 3.780 7.242 1.00 1.83 O ATOM 0 H GLY A 441 10.750 0.378 5.819 1.00 0.93 H new ATOM 0 HA2 GLY A 441 11.243 1.342 7.789 1.00 1.24 H new ATOM 0 HA3 GLY A 441 12.906 1.283 7.240 1.00 1.24 H new ATOM 1242 N ILE A 442 10.831 3.780 6.605 1.00 1.10 N ATOM 1243 CA ILE A 442 10.727 5.231 6.519 1.00 1.03 C ATOM 1244 C ILE A 442 11.674 5.767 5.448 1.00 1.05 C ATOM 1245 O ILE A 442 12.894 5.664 5.583 1.00 1.39 O ATOM 1246 CB ILE A 442 11.056 5.869 7.882 1.00 1.26 C ATOM 1247 CG1 ILE A 442 9.988 5.507 8.920 1.00 1.41 C ATOM 1248 CG2 ILE A 442 11.211 7.380 7.768 1.00 1.38 C ATOM 1249 CD1 ILE A 442 8.584 5.914 8.523 1.00 1.48 C ATOM 0 H ILE A 442 9.971 3.284 6.371 1.00 1.10 H new ATOM 0 HA ILE A 442 9.705 5.491 6.245 1.00 1.03 H new ATOM 0 HB ILE A 442 12.012 5.465 8.216 1.00 1.26 H new ATOM 0 HG12 ILE A 442 10.010 4.430 9.089 1.00 1.41 H new ATOM 0 HG13 ILE A 442 10.240 5.984 9.867 1.00 1.41 H new ATOM 0 HG21 ILE A 442 11.443 7.797 8.748 1.00 1.38 H new ATOM 0 HG22 ILE A 442 12.020 7.612 7.075 1.00 1.38 H new ATOM 0 HG23 ILE A 442 10.282 7.814 7.399 1.00 1.38 H new ATOM 0 HD11 ILE A 442 7.885 5.624 9.308 1.00 1.48 H new ATOM 0 HD12 ILE A 442 8.544 6.994 8.383 1.00 1.48 H new ATOM 0 HD13 ILE A 442 8.311 5.417 7.592 1.00 1.48 H new ATOM 1261 N THR A 443 11.116 6.328 4.373 1.00 1.13 N ATOM 1262 CA THR A 443 11.940 6.850 3.288 1.00 1.36 C ATOM 1263 C THR A 443 11.172 7.836 2.411 1.00 1.47 C ATOM 1264 O THR A 443 10.061 7.551 1.964 1.00 2.20 O ATOM 1265 CB THR A 443 12.467 5.703 2.402 1.00 2.21 C ATOM 1266 OG1 THR A 443 13.227 4.779 3.190 1.00 3.05 O ATOM 1267 CG2 THR A 443 13.332 6.234 1.271 1.00 2.78 C ATOM 0 H THR A 443 10.111 6.430 4.234 1.00 1.13 H new ATOM 0 HA THR A 443 12.775 7.374 3.754 1.00 1.36 H new ATOM 0 HB THR A 443 11.606 5.194 1.970 1.00 2.21 H new ATOM 0 HG1 THR A 443 13.465 5.196 4.044 1.00 3.05 H new ATOM 0 HG21 THR A 443 13.689 5.402 0.664 1.00 2.78 H new ATOM 0 HG22 THR A 443 12.744 6.910 0.650 1.00 2.78 H new ATOM 0 HG23 THR A 443 14.184 6.771 1.686 1.00 2.78 H new ATOM 1275 N VAL A 444 11.790 8.991 2.158 1.00 1.90 N ATOM 1276 CA VAL A 444 11.190 10.027 1.323 1.00 2.70 C ATOM 1277 C VAL A 444 9.750 10.308 1.740 1.00 3.02 C ATOM 1278 O VAL A 444 8.815 10.111 0.965 1.00 3.60 O ATOM 1279 CB VAL A 444 11.235 9.631 -0.166 1.00 3.53 C ATOM 1280 CG1 VAL A 444 10.744 10.770 -1.047 1.00 4.18 C ATOM 1281 CG2 VAL A 444 12.642 9.214 -0.563 1.00 4.02 C ATOM 0 H VAL A 444 12.712 9.231 2.523 1.00 1.90 H new ATOM 0 HA VAL A 444 11.775 10.936 1.463 1.00 2.70 H new ATOM 0 HB VAL A 444 10.568 8.781 -0.312 1.00 3.53 H new ATOM 0 HG11 VAL A 444 10.786 10.465 -2.093 1.00 4.18 H new ATOM 0 HG12 VAL A 444 9.716 11.018 -0.782 1.00 4.18 H new ATOM 0 HG13 VAL A 444 11.378 11.644 -0.898 1.00 4.18 H new ATOM 0 HG21 VAL A 444 12.656 8.938 -1.617 1.00 4.02 H new ATOM 0 HG22 VAL A 444 13.328 10.044 -0.397 1.00 4.02 H new ATOM 0 HG23 VAL A 444 12.952 8.361 0.040 1.00 4.02 H new ATOM 1291 N LEU A 445 9.576 10.760 2.975 1.00 3.13 N ATOM 1292 CA LEU A 445 8.247 11.059 3.492 1.00 3.83 C ATOM 1293 C LEU A 445 7.856 12.507 3.203 1.00 4.75 C ATOM 1294 O LEU A 445 8.645 13.427 3.419 1.00 4.99 O ATOM 1295 CB LEU A 445 8.171 10.782 4.998 1.00 3.87 C ATOM 1296 CG LEU A 445 8.442 9.333 5.419 1.00 3.48 C ATOM 1297 CD1 LEU A 445 7.555 8.363 4.649 1.00 3.82 C ATOM 1298 CD2 LEU A 445 9.906 8.983 5.222 1.00 3.70 C ATOM 0 H LEU A 445 10.335 10.927 3.635 1.00 3.13 H new ATOM 0 HA LEU A 445 7.541 10.404 2.982 1.00 3.83 H new ATOM 0 HB2 LEU A 445 8.887 11.429 5.505 1.00 3.87 H new ATOM 0 HB3 LEU A 445 7.180 11.065 5.352 1.00 3.87 H new ATOM 0 HG LEU A 445 8.203 9.242 6.479 1.00 3.48 H new ATOM 0 HD11 LEU A 445 7.769 7.343 4.968 1.00 3.82 H new ATOM 0 HD12 LEU A 445 6.508 8.593 4.846 1.00 3.82 H new ATOM 0 HD13 LEU A 445 7.753 8.458 3.581 1.00 3.82 H new ATOM 0 HD21 LEU A 445 10.077 7.951 5.527 1.00 3.70 H new ATOM 0 HD22 LEU A 445 10.170 9.100 4.171 1.00 3.70 H new ATOM 0 HD23 LEU A 445 10.523 9.647 5.827 1.00 3.70 H new ATOM 1310 N PRO A 446 6.626 12.722 2.708 1.00 5.56 N ATOM 1311 CA PRO A 446 6.121 14.062 2.385 1.00 6.59 C ATOM 1312 C PRO A 446 6.151 15.002 3.584 1.00 7.07 C ATOM 1313 O PRO A 446 5.871 14.597 4.712 1.00 7.26 O ATOM 1314 CB PRO A 446 4.672 13.810 1.951 1.00 7.40 C ATOM 1315 CG PRO A 446 4.630 12.375 1.554 1.00 6.97 C ATOM 1316 CD PRO A 446 5.632 11.673 2.423 1.00 5.82 C ATOM 0 HA PRO A 446 6.732 14.546 1.624 1.00 6.59 H new ATOM 0 HB2 PRO A 446 3.976 14.015 2.764 1.00 7.40 H new ATOM 0 HB3 PRO A 446 4.391 14.457 1.120 1.00 7.40 H new ATOM 0 HG2 PRO A 446 3.632 11.960 1.697 1.00 6.97 H new ATOM 0 HG3 PRO A 446 4.877 12.255 0.499 1.00 6.97 H new ATOM 0 HD2 PRO A 446 5.176 11.292 3.337 1.00 5.82 H new ATOM 0 HD3 PRO A 446 6.081 10.821 1.912 1.00 5.82 H new ATOM 1324 N ALA A 447 6.488 16.263 3.329 1.00 7.52 N ATOM 1325 CA ALA A 447 6.550 17.270 4.382 1.00 8.19 C ATOM 1326 C ALA A 447 6.667 18.671 3.786 1.00 8.83 C ATOM 1327 O ALA A 447 7.546 18.932 2.964 1.00 9.06 O ATOM 1328 CB ALA A 447 7.720 16.989 5.315 1.00 8.42 C ATOM 0 H ALA A 447 6.723 16.612 2.400 1.00 7.52 H new ATOM 0 HA ALA A 447 5.626 17.221 4.957 1.00 8.19 H new ATOM 0 HB1 ALA A 447 7.753 17.749 6.096 1.00 8.42 H new ATOM 0 HB2 ALA A 447 7.595 16.006 5.770 1.00 8.42 H new ATOM 0 HB3 ALA A 447 8.651 17.010 4.748 1.00 8.42 H new ATOM 1334 N PRO A 448 5.777 19.596 4.192 1.00 9.38 N ATOM 1335 CA PRO A 448 5.787 20.974 3.690 1.00 10.23 C ATOM 1336 C PRO A 448 6.984 21.773 4.204 1.00 10.87 C ATOM 1337 O PRO A 448 7.288 21.745 5.397 1.00 11.06 O ATOM 1338 CB PRO A 448 4.480 21.559 4.232 1.00 10.80 C ATOM 1339 CG PRO A 448 4.187 20.759 5.454 1.00 10.31 C ATOM 1340 CD PRO A 448 4.694 19.373 5.170 1.00 9.48 C ATOM 0 HA PRO A 448 5.868 21.010 2.604 1.00 10.23 H new ATOM 0 HB2 PRO A 448 4.588 22.618 4.468 1.00 10.80 H new ATOM 0 HB3 PRO A 448 3.675 21.475 3.501 1.00 10.80 H new ATOM 0 HG2 PRO A 448 4.681 21.184 6.327 1.00 10.31 H new ATOM 0 HG3 PRO A 448 3.118 20.748 5.667 1.00 10.31 H new ATOM 0 HD2 PRO A 448 5.063 18.888 6.074 1.00 9.48 H new ATOM 0 HD3 PRO A 448 3.910 18.735 4.762 1.00 9.48 H new ATOM 1348 N PRO A 449 7.681 22.501 3.310 1.00 11.41 N ATOM 1349 CA PRO A 449 8.845 23.308 3.690 1.00 12.23 C ATOM 1350 C PRO A 449 8.476 24.400 4.689 1.00 13.10 C ATOM 1351 O PRO A 449 7.521 25.147 4.474 1.00 13.50 O ATOM 1352 CB PRO A 449 9.311 23.929 2.365 1.00 12.72 C ATOM 1353 CG PRO A 449 8.689 23.092 1.300 1.00 12.39 C ATOM 1354 CD PRO A 449 7.391 22.598 1.870 1.00 11.49 C ATOM 0 HA PRO A 449 9.613 22.710 4.180 1.00 12.23 H new ATOM 0 HB2 PRO A 449 8.993 24.969 2.284 1.00 12.72 H new ATOM 0 HB3 PRO A 449 10.398 23.921 2.287 1.00 12.72 H new ATOM 0 HG2 PRO A 449 8.521 23.674 0.394 1.00 12.39 H new ATOM 0 HG3 PRO A 449 9.338 22.260 1.028 1.00 12.39 H new ATOM 0 HD2 PRO A 449 6.572 23.289 1.668 1.00 11.49 H new ATOM 0 HD3 PRO A 449 7.106 21.634 1.449 1.00 11.49 H new ATOM 1362 N LEU A 450 9.236 24.482 5.780 1.00 13.55 N ATOM 1363 CA LEU A 450 8.993 25.476 6.824 1.00 14.50 C ATOM 1364 C LEU A 450 7.640 25.247 7.495 1.00 14.96 C ATOM 1365 O LEU A 450 6.627 25.047 6.825 1.00 15.17 O ATOM 1366 CB LEU A 450 9.062 26.894 6.249 1.00 15.07 C ATOM 1367 CG LEU A 450 10.419 27.295 5.666 1.00 15.25 C ATOM 1368 CD1 LEU A 450 10.350 28.695 5.076 1.00 15.76 C ATOM 1369 CD2 LEU A 450 11.502 27.221 6.732 1.00 15.35 C ATOM 0 H LEU A 450 10.030 23.868 5.964 1.00 13.55 H new ATOM 0 HA LEU A 450 9.774 25.365 7.577 1.00 14.50 H new ATOM 0 HB2 LEU A 450 8.307 26.990 5.469 1.00 15.07 H new ATOM 0 HB3 LEU A 450 8.799 27.601 7.036 1.00 15.07 H new ATOM 0 HG LEU A 450 10.672 26.595 4.870 1.00 15.25 H new ATOM 0 HD11 LEU A 450 11.323 28.965 4.666 1.00 15.76 H new ATOM 0 HD12 LEU A 450 9.602 28.719 4.283 1.00 15.76 H new ATOM 0 HD13 LEU A 450 10.075 29.405 5.856 1.00 15.76 H new ATOM 0 HD21 LEU A 450 12.460 27.510 6.299 1.00 15.35 H new ATOM 0 HD22 LEU A 450 11.255 27.898 7.549 1.00 15.35 H new ATOM 0 HD23 LEU A 450 11.569 26.202 7.113 1.00 15.35 H new ATOM 1381 N ALA A 451 7.634 25.275 8.824 1.00 15.28 N ATOM 1382 CA ALA A 451 6.408 25.066 9.586 1.00 15.91 C ATOM 1383 C ALA A 451 5.368 26.140 9.269 1.00 16.47 C ATOM 1384 O ALA A 451 5.637 27.333 9.405 1.00 16.74 O ATOM 1385 CB ALA A 451 6.714 25.051 11.076 1.00 16.18 C ATOM 0 H ALA A 451 8.463 25.440 9.395 1.00 15.28 H new ATOM 0 HA ALA A 451 5.991 24.101 9.298 1.00 15.91 H new ATOM 0 HB1 ALA A 451 5.792 24.894 11.635 1.00 16.18 H new ATOM 0 HB2 ALA A 451 7.413 24.244 11.296 1.00 16.18 H new ATOM 0 HB3 ALA A 451 7.157 26.004 11.366 1.00 16.18 H new ATOM 1391 N PRO A 452 4.158 25.729 8.841 1.00 16.82 N ATOM 1392 CA PRO A 452 3.076 26.652 8.506 1.00 17.52 C ATOM 1393 C PRO A 452 2.360 27.179 9.747 1.00 18.21 C ATOM 1394 O PRO A 452 1.133 27.278 9.772 1.00 18.53 O ATOM 1395 CB PRO A 452 2.113 25.804 7.657 1.00 17.79 C ATOM 1396 CG PRO A 452 2.750 24.454 7.526 1.00 17.36 C ATOM 1397 CD PRO A 452 3.743 24.338 8.645 1.00 16.73 C ATOM 0 HA PRO A 452 3.450 27.536 7.989 1.00 17.52 H new ATOM 0 HB2 PRO A 452 1.136 25.729 8.135 1.00 17.79 H new ATOM 0 HB3 PRO A 452 1.955 26.257 6.678 1.00 17.79 H new ATOM 0 HG2 PRO A 452 2.001 23.664 7.589 1.00 17.36 H new ATOM 0 HG3 PRO A 452 3.242 24.350 6.559 1.00 17.36 H new ATOM 0 HD2 PRO A 452 3.294 23.917 9.545 1.00 16.73 H new ATOM 0 HD3 PRO A 452 4.583 23.697 8.378 1.00 16.73 H new ATOM 1405 N ASP A 453 3.134 27.513 10.776 1.00 18.57 N ATOM 1406 CA ASP A 453 2.575 28.026 12.024 1.00 19.36 C ATOM 1407 C ASP A 453 3.582 28.914 12.746 1.00 19.52 C ATOM 1408 O ASP A 453 4.763 28.575 12.849 1.00 19.55 O ATOM 1409 CB ASP A 453 2.159 26.871 12.938 1.00 19.71 C ATOM 1410 CG ASP A 453 1.060 26.016 12.337 1.00 20.25 C ATOM 1411 OD1 ASP A 453 -0.036 26.556 12.075 1.00 20.48 O ATOM 1412 OD2 ASP A 453 1.295 24.807 12.128 1.00 20.55 O ATOM 0 H ASP A 453 4.151 27.438 10.770 1.00 18.57 H new ATOM 0 HA ASP A 453 1.696 28.622 11.778 1.00 19.36 H new ATOM 0 HB2 ASP A 453 3.028 26.246 13.145 1.00 19.71 H new ATOM 0 HB3 ASP A 453 1.820 27.273 13.893 1.00 19.71 H new ATOM 1417 N GLN A 454 3.108 30.053 13.243 1.00 19.77 N ATOM 1418 CA GLN A 454 3.964 30.997 13.957 1.00 20.09 C ATOM 1419 C GLN A 454 3.140 32.135 14.552 1.00 20.37 C ATOM 1420 O GLN A 454 1.900 31.994 14.622 1.00 20.63 O ATOM 1421 CB GLN A 454 5.029 31.563 13.014 1.00 20.30 C ATOM 1422 CG GLN A 454 4.453 32.255 11.790 1.00 20.53 C ATOM 1423 CD GLN A 454 5.527 32.774 10.856 1.00 20.93 C ATOM 1424 OE1 GLN A 454 6.345 33.612 11.234 1.00 21.22 O ATOM 1425 NE2 GLN A 454 5.530 32.275 9.625 1.00 21.08 N ATOM 1426 OXT GLN A 454 3.740 33.159 14.943 1.00 20.45 O ATOM 0 H GLN A 454 2.134 30.345 13.164 1.00 19.77 H new ATOM 0 HA GLN A 454 4.454 30.463 14.771 1.00 20.09 H new ATOM 0 HB2 GLN A 454 5.649 32.272 13.563 1.00 20.30 H new ATOM 0 HB3 GLN A 454 5.682 30.753 12.689 1.00 20.30 H new ATOM 0 HG2 GLN A 454 3.813 31.557 11.250 1.00 20.53 H new ATOM 0 HG3 GLN A 454 3.822 33.085 12.109 1.00 20.53 H new ATOM 0 HE21 GLN A 454 4.833 31.582 9.354 1.00 21.08 H new ATOM 0 HE22 GLN A 454 6.230 32.585 8.951 1.00 21.08 H new TER 1435 GLN A 454