USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=17 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 -78:sc= 0.313 USER MOD Set 1.2: A 393 HIS : no HD1:sc= -0.95 X(o=-0.64,f=-0.8) USER MOD Set 2.1: A 366 MET CE :methyl 177:sc= -1.11 (180deg=-1.07) USER MOD Set 2.2: A 372 LYS NZ :NH3+ 179:sc= -0.743 (180deg=-0.716) USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HE2:sc= -0.718 K(o=-0.72,f=-4.6!) USER MOD Single : A 370 MET CE :methyl 159:sc= -0.146 (180deg=-0.754) USER MOD Single : A 371 GLN : amide:sc= -3.62 K(o=-3.6,f=-13!) USER MOD Single : A 376 SER OG : rot 50:sc= 0.503 USER MOD Single : A 378 ASN : amide:sc= -2.23! K(o=-2.2!,f=-0.65) USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 GLN : amide:sc= -0.0351 K(o=-0.035,f=-0.7) USER MOD Single : A 399 GLN : amide:sc= -1.13! K(o=-1.1!,f=0) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 61:sc= 0.0057 USER MOD Single : A 403 THR OG1 : rot -21:sc= 0.0679 USER MOD Single : A 405 ASN : amide:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 412 TYR OH : rot -15:sc= -3.85! USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-2.7!) USER MOD Single : A 416 TYR OH : rot 30:sc= 0.0163 USER MOD Single : A 420 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.012) USER MOD Single : A 430 HIS : no HD1:sc= -4.04! C(o=-4!,f=-6.5!) USER MOD Single : A 433 SER OG : rot -7:sc= 0.862 USER MOD Single : A 435 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.69) USER MOD Single : A 443 THR OG1 : rot -47:sc= 0.786 USER MOD Single : A 454 GLN : amide:sc= -1.19! K(o=-1.2!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 4.185 -16.409 -0.670 1.00 11.64 N ATOM 2 CA GLY A 363 3.471 -16.637 0.616 1.00 11.03 C ATOM 3 C GLY A 363 2.163 -15.876 0.694 1.00 10.23 C ATOM 4 O GLY A 363 1.397 -15.848 -0.270 1.00 10.21 O ATOM 0 HA2 GLY A 363 3.276 -17.703 0.736 1.00 11.03 H new ATOM 0 HA3 GLY A 363 4.113 -16.336 1.443 1.00 11.03 H new ATOM 10 N SER A 364 1.908 -15.258 1.844 1.00 9.80 N ATOM 11 CA SER A 364 0.684 -14.490 2.052 1.00 9.25 C ATOM 12 C SER A 364 -0.550 -15.353 1.805 1.00 8.36 C ATOM 13 O SER A 364 -1.496 -14.926 1.140 1.00 8.24 O ATOM 14 CB SER A 364 0.661 -13.267 1.132 1.00 9.60 C ATOM 15 OG SER A 364 1.767 -12.417 1.385 1.00 9.86 O ATOM 0 H SER A 364 2.535 -15.274 2.648 1.00 9.80 H new ATOM 0 HA SER A 364 0.667 -14.155 3.089 1.00 9.25 H new ATOM 0 HB2 SER A 364 0.678 -13.591 0.091 1.00 9.60 H new ATOM 0 HB3 SER A 364 -0.267 -12.715 1.279 1.00 9.60 H new ATOM 0 HG SER A 364 1.730 -11.644 0.783 1.00 9.86 H new ATOM 21 N HIS A 365 -0.534 -16.568 2.344 1.00 7.98 N ATOM 22 CA HIS A 365 -1.653 -17.492 2.183 1.00 7.35 C ATOM 23 C HIS A 365 -2.934 -16.883 2.745 1.00 6.30 C ATOM 24 O HIS A 365 -2.926 -16.280 3.819 1.00 6.44 O ATOM 25 CB HIS A 365 -1.346 -18.821 2.880 1.00 7.88 C ATOM 26 CG HIS A 365 -2.367 -19.885 2.624 1.00 7.65 C ATOM 27 ND1 HIS A 365 -3.692 -19.764 2.989 1.00 7.18 N ATOM 28 CD2 HIS A 365 -2.252 -21.098 2.032 1.00 8.07 C ATOM 29 CE1 HIS A 365 -4.347 -20.857 2.634 1.00 7.26 C ATOM 30 NE2 HIS A 365 -3.496 -21.680 2.051 1.00 7.79 N ATOM 0 H HIS A 365 0.241 -16.936 2.896 1.00 7.98 H new ATOM 0 HA HIS A 365 -1.798 -17.679 1.119 1.00 7.35 H new ATOM 0 HB2 HIS A 365 -0.371 -19.178 2.548 1.00 7.88 H new ATOM 0 HB3 HIS A 365 -1.274 -18.650 3.954 1.00 7.88 H new ATOM 0 HD1 HIS A 365 -4.103 -18.957 3.459 1.00 7.18 H new ATOM 0 HD2 HIS A 365 -1.350 -21.527 1.622 1.00 8.07 H new ATOM 0 HE1 HIS A 365 -5.399 -21.044 2.794 1.00 7.26 H new ATOM 39 N MET A 366 -4.031 -17.035 2.008 1.00 5.51 N ATOM 40 CA MET A 366 -5.317 -16.487 2.429 1.00 4.67 C ATOM 41 C MET A 366 -5.744 -17.052 3.780 1.00 4.56 C ATOM 42 O MET A 366 -5.879 -18.264 3.948 1.00 4.71 O ATOM 43 CB MET A 366 -6.390 -16.770 1.372 1.00 4.15 C ATOM 44 CG MET A 366 -6.199 -15.985 0.079 1.00 3.72 C ATOM 45 SD MET A 366 -4.660 -16.384 -0.770 1.00 3.31 S ATOM 46 CE MET A 366 -4.713 -15.226 -2.135 1.00 2.76 C ATOM 0 H MET A 366 -4.055 -17.532 1.118 1.00 5.51 H new ATOM 0 HA MET A 366 -5.202 -15.408 2.536 1.00 4.67 H new ATOM 0 HB2 MET A 366 -6.390 -17.836 1.143 1.00 4.15 H new ATOM 0 HB3 MET A 366 -7.369 -16.534 1.789 1.00 4.15 H new ATOM 0 HG2 MET A 366 -7.037 -16.186 -0.588 1.00 3.72 H new ATOM 0 HG3 MET A 366 -6.218 -14.918 0.302 1.00 3.72 H new ATOM 0 HE1 MET A 366 -3.799 -15.315 -2.723 1.00 2.76 H new ATOM 0 HE2 MET A 366 -5.574 -15.447 -2.766 1.00 2.76 H new ATOM 0 HE3 MET A 366 -4.798 -14.211 -1.748 1.00 2.76 H new ATOM 56 N ASP A 367 -5.956 -16.157 4.741 1.00 4.67 N ATOM 57 CA ASP A 367 -6.366 -16.546 6.086 1.00 4.80 C ATOM 58 C ASP A 367 -7.860 -16.862 6.139 1.00 4.50 C ATOM 59 O ASP A 367 -8.670 -16.164 5.529 1.00 4.10 O ATOM 60 CB ASP A 367 -6.036 -15.432 7.079 1.00 4.92 C ATOM 61 CG ASP A 367 -4.555 -15.107 7.112 1.00 5.55 C ATOM 62 OD1 ASP A 367 -3.755 -16.015 7.422 1.00 6.06 O ATOM 63 OD2 ASP A 367 -4.195 -13.946 6.827 1.00 5.80 O ATOM 0 H ASP A 367 -5.850 -15.151 4.611 1.00 4.67 H new ATOM 0 HA ASP A 367 -5.816 -17.447 6.357 1.00 4.80 H new ATOM 0 HB2 ASP A 367 -6.596 -14.535 6.814 1.00 4.92 H new ATOM 0 HB3 ASP A 367 -6.362 -15.729 8.076 1.00 4.92 H new ATOM 68 N PRO A 368 -8.247 -17.923 6.872 1.00 4.98 N ATOM 69 CA PRO A 368 -9.648 -18.324 7.003 1.00 5.12 C ATOM 70 C PRO A 368 -10.409 -17.476 8.022 1.00 5.15 C ATOM 71 O PRO A 368 -11.195 -17.996 8.814 1.00 5.66 O ATOM 72 CB PRO A 368 -9.547 -19.772 7.478 1.00 5.90 C ATOM 73 CG PRO A 368 -8.276 -19.825 8.257 1.00 6.16 C ATOM 74 CD PRO A 368 -7.346 -18.813 7.634 1.00 5.69 C ATOM 0 HA PRO A 368 -10.200 -18.199 6.071 1.00 5.12 H new ATOM 0 HB2 PRO A 368 -10.402 -20.047 8.095 1.00 5.90 H new ATOM 0 HB3 PRO A 368 -9.525 -20.465 6.637 1.00 5.90 H new ATOM 0 HG2 PRO A 368 -8.455 -19.592 9.307 1.00 6.16 H new ATOM 0 HG3 PRO A 368 -7.841 -20.824 8.222 1.00 6.16 H new ATOM 0 HD2 PRO A 368 -6.789 -18.263 8.392 1.00 5.69 H new ATOM 0 HD3 PRO A 368 -6.613 -19.291 6.984 1.00 5.69 H new ATOM 82 N LEU A 369 -10.172 -16.168 7.988 1.00 4.84 N ATOM 83 CA LEU A 369 -10.831 -15.238 8.898 1.00 5.12 C ATOM 84 C LEU A 369 -10.520 -13.802 8.488 1.00 4.61 C ATOM 85 O LEU A 369 -11.420 -12.972 8.360 1.00 4.91 O ATOM 86 CB LEU A 369 -10.379 -15.496 10.341 1.00 5.80 C ATOM 87 CG LEU A 369 -11.178 -14.766 11.428 1.00 6.34 C ATOM 88 CD1 LEU A 369 -10.901 -15.381 12.791 1.00 6.73 C ATOM 89 CD2 LEU A 369 -10.839 -13.282 11.450 1.00 6.94 C ATOM 0 H LEU A 369 -9.524 -15.726 7.335 1.00 4.84 H new ATOM 0 HA LEU A 369 -11.909 -15.392 8.844 1.00 5.12 H new ATOM 0 HB2 LEU A 369 -10.434 -16.567 10.533 1.00 5.80 H new ATOM 0 HB3 LEU A 369 -9.331 -15.209 10.431 1.00 5.80 H new ATOM 0 HG LEU A 369 -12.238 -14.874 11.197 1.00 6.34 H new ATOM 0 HD11 LEU A 369 -11.475 -14.852 13.552 1.00 6.73 H new ATOM 0 HD12 LEU A 369 -11.191 -16.432 12.782 1.00 6.73 H new ATOM 0 HD13 LEU A 369 -9.838 -15.300 13.017 1.00 6.73 H new ATOM 0 HD21 LEU A 369 -11.419 -12.788 12.229 1.00 6.94 H new ATOM 0 HD22 LEU A 369 -9.776 -13.155 11.653 1.00 6.94 H new ATOM 0 HD23 LEU A 369 -11.079 -12.840 10.483 1.00 6.94 H new ATOM 101 N MET A 370 -9.239 -13.525 8.273 1.00 4.12 N ATOM 102 CA MET A 370 -8.798 -12.198 7.861 1.00 3.87 C ATOM 103 C MET A 370 -8.484 -12.184 6.368 1.00 3.02 C ATOM 104 O MET A 370 -7.348 -11.931 5.963 1.00 3.06 O ATOM 105 CB MET A 370 -7.568 -11.772 8.669 1.00 4.63 C ATOM 106 CG MET A 370 -7.129 -10.340 8.405 1.00 5.03 C ATOM 107 SD MET A 370 -5.671 -9.871 9.360 1.00 5.63 S ATOM 108 CE MET A 370 -4.475 -11.060 8.758 1.00 5.52 C ATOM 0 H MET A 370 -8.485 -14.204 8.378 1.00 4.12 H new ATOM 0 HA MET A 370 -9.603 -11.488 8.053 1.00 3.87 H new ATOM 0 HB2 MET A 370 -7.785 -11.886 9.731 1.00 4.63 H new ATOM 0 HB3 MET A 370 -6.742 -12.444 8.438 1.00 4.63 H new ATOM 0 HG2 MET A 370 -6.917 -10.219 7.343 1.00 5.03 H new ATOM 0 HG3 MET A 370 -7.949 -9.663 8.645 1.00 5.03 H new ATOM 0 HE1 MET A 370 -3.467 -10.691 8.948 1.00 5.52 H new ATOM 0 HE2 MET A 370 -4.616 -12.011 9.272 1.00 5.52 H new ATOM 0 HE3 MET A 370 -4.612 -11.203 7.686 1.00 5.52 H new ATOM 118 N GLN A 371 -9.495 -12.473 5.550 1.00 2.80 N ATOM 119 CA GLN A 371 -9.323 -12.505 4.101 1.00 2.63 C ATOM 120 C GLN A 371 -8.680 -11.219 3.597 1.00 2.21 C ATOM 121 O GLN A 371 -9.340 -10.183 3.490 1.00 2.80 O ATOM 122 CB GLN A 371 -10.669 -12.714 3.395 1.00 3.46 C ATOM 123 CG GLN A 371 -11.246 -14.117 3.531 1.00 3.91 C ATOM 124 CD GLN A 371 -11.642 -14.466 4.951 1.00 4.54 C ATOM 125 OE1 GLN A 371 -10.793 -14.643 5.822 1.00 4.97 O ATOM 126 NE2 GLN A 371 -12.944 -14.566 5.193 1.00 5.04 N ATOM 0 H GLN A 371 -10.440 -12.688 5.867 1.00 2.80 H new ATOM 0 HA GLN A 371 -8.665 -13.343 3.869 1.00 2.63 H new ATOM 0 HB2 GLN A 371 -11.389 -11.999 3.794 1.00 3.46 H new ATOM 0 HB3 GLN A 371 -10.548 -12.486 2.336 1.00 3.46 H new ATOM 0 HG2 GLN A 371 -12.119 -14.208 2.885 1.00 3.91 H new ATOM 0 HG3 GLN A 371 -10.511 -14.841 3.178 1.00 3.91 H new ATOM 0 HE21 GLN A 371 -13.616 -14.411 4.441 1.00 5.04 H new ATOM 0 HE22 GLN A 371 -13.272 -14.798 6.131 1.00 5.04 H new ATOM 135 N LYS A 372 -7.393 -11.304 3.274 1.00 1.82 N ATOM 136 CA LYS A 372 -6.641 -10.166 2.763 1.00 1.77 C ATOM 137 C LYS A 372 -6.928 -8.894 3.557 1.00 1.50 C ATOM 138 O LYS A 372 -7.377 -7.891 3.000 1.00 1.89 O ATOM 139 CB LYS A 372 -6.968 -9.958 1.288 1.00 2.26 C ATOM 140 CG LYS A 372 -6.568 -11.135 0.415 1.00 2.93 C ATOM 141 CD LYS A 372 -6.827 -10.855 -1.054 1.00 3.98 C ATOM 142 CE LYS A 372 -6.492 -12.064 -1.911 1.00 4.77 C ATOM 143 NZ LYS A 372 -7.346 -13.234 -1.570 1.00 5.39 N ATOM 0 H LYS A 372 -6.845 -12.160 3.359 1.00 1.82 H new ATOM 0 HA LYS A 372 -5.579 -10.384 2.874 1.00 1.77 H new ATOM 0 HB2 LYS A 372 -8.038 -9.782 1.181 1.00 2.26 H new ATOM 0 HB3 LYS A 372 -6.460 -9.061 0.933 1.00 2.26 H new ATOM 0 HG2 LYS A 372 -5.511 -11.356 0.563 1.00 2.93 H new ATOM 0 HG3 LYS A 372 -7.124 -12.021 0.721 1.00 2.93 H new ATOM 0 HD2 LYS A 372 -7.873 -10.584 -1.196 1.00 3.98 H new ATOM 0 HD3 LYS A 372 -6.230 -10.002 -1.375 1.00 3.98 H new ATOM 0 HE2 LYS A 372 -6.623 -11.812 -2.963 1.00 4.77 H new ATOM 0 HE3 LYS A 372 -5.443 -12.327 -1.775 1.00 4.77 H new ATOM 0 HZ1 LYS A 372 -7.100 -14.035 -2.187 1.00 5.39 H new ATOM 0 HZ2 LYS A 372 -7.189 -13.501 -0.577 1.00 5.39 H new ATOM 0 HZ3 LYS A 372 -8.346 -12.985 -1.708 1.00 5.39 H new ATOM 157 N ILE A 373 -6.652 -8.944 4.859 1.00 1.42 N ATOM 158 CA ILE A 373 -6.862 -7.805 5.744 1.00 1.22 C ATOM 159 C ILE A 373 -8.336 -7.411 5.826 1.00 1.13 C ATOM 160 O ILE A 373 -9.014 -7.265 4.809 1.00 1.20 O ATOM 161 CB ILE A 373 -6.030 -6.594 5.285 1.00 1.16 C ATOM 162 CG1 ILE A 373 -4.537 -6.907 5.404 1.00 1.40 C ATOM 163 CG2 ILE A 373 -6.393 -5.353 6.090 1.00 1.26 C ATOM 164 CD1 ILE A 373 -3.637 -5.793 4.910 1.00 1.48 C ATOM 0 H ILE A 373 -6.279 -9.771 5.326 1.00 1.42 H new ATOM 0 HA ILE A 373 -6.535 -8.112 6.738 1.00 1.22 H new ATOM 0 HB ILE A 373 -6.258 -6.390 4.239 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -4.301 -7.116 6.447 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -4.319 -7.814 4.840 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -5.793 -4.510 5.749 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -7.450 -5.126 5.952 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -6.196 -5.534 7.147 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -2.594 -6.089 5.027 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -3.843 -5.598 3.858 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -3.825 -4.889 5.490 1.00 1.48 H new ATOM 176 N ASP A 374 -8.822 -7.238 7.051 1.00 1.16 N ATOM 177 CA ASP A 374 -10.209 -6.858 7.286 1.00 1.17 C ATOM 178 C ASP A 374 -10.361 -5.340 7.313 1.00 1.03 C ATOM 179 O ASP A 374 -10.472 -4.740 8.381 1.00 1.25 O ATOM 180 CB ASP A 374 -10.708 -7.456 8.603 1.00 1.40 C ATOM 181 CG ASP A 374 -10.703 -8.973 8.589 1.00 1.77 C ATOM 182 OD1 ASP A 374 -10.330 -9.556 7.549 1.00 2.04 O ATOM 183 OD2 ASP A 374 -11.071 -9.578 9.618 1.00 2.17 O ATOM 0 H ASP A 374 -8.271 -7.356 7.901 1.00 1.16 H new ATOM 0 HA ASP A 374 -10.810 -7.250 6.466 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -10.081 -7.101 9.421 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -11.719 -7.101 8.800 1.00 1.40 H new ATOM 188 N ILE A 375 -10.358 -4.725 6.134 1.00 0.84 N ATOM 189 CA ILE A 375 -10.491 -3.276 6.023 1.00 0.76 C ATOM 190 C ILE A 375 -11.650 -2.752 6.862 1.00 0.76 C ATOM 191 O ILE A 375 -11.541 -1.705 7.499 1.00 0.79 O ATOM 192 CB ILE A 375 -10.709 -2.837 4.563 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.505 -3.229 3.703 1.00 0.82 C ATOM 194 CG2 ILE A 375 -10.958 -1.336 4.499 1.00 0.84 C ATOM 195 CD1 ILE A 375 -9.683 -2.922 2.231 1.00 0.92 C ATOM 0 H ILE A 375 -10.265 -5.208 5.241 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.556 -2.856 6.394 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.587 -3.348 4.168 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.622 -2.706 4.070 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.316 -4.296 3.822 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.111 -1.036 3.462 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -11.845 -1.089 5.083 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.097 -0.807 4.906 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -8.790 -3.227 1.685 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -10.546 -3.466 1.848 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -9.841 -1.852 2.099 1.00 0.92 H new ATOM 207 N SER A 376 -12.759 -3.479 6.840 1.00 0.79 N ATOM 208 CA SER A 376 -13.951 -3.089 7.585 1.00 0.87 C ATOM 209 C SER A 376 -13.709 -3.117 9.090 1.00 0.96 C ATOM 210 O SER A 376 -14.155 -4.031 9.787 1.00 1.54 O ATOM 211 CB SER A 376 -15.120 -3.997 7.223 1.00 0.95 C ATOM 212 OG SER A 376 -14.823 -5.355 7.504 1.00 1.71 O ATOM 0 H SER A 376 -12.859 -4.346 6.312 1.00 0.79 H new ATOM 0 HA SER A 376 -14.194 -2.063 7.307 1.00 0.87 H new ATOM 0 HB2 SER A 376 -16.006 -3.693 7.781 1.00 0.95 H new ATOM 0 HB3 SER A 376 -15.356 -3.885 6.165 1.00 0.95 H new ATOM 0 HG SER A 376 -14.484 -5.433 8.420 1.00 1.71 H new ATOM 218 N GLU A 377 -13.007 -2.105 9.582 1.00 0.93 N ATOM 219 CA GLU A 377 -12.703 -1.991 10.999 1.00 1.03 C ATOM 220 C GLU A 377 -12.004 -0.673 11.282 1.00 0.87 C ATOM 221 O GLU A 377 -12.087 -0.136 12.387 1.00 0.93 O ATOM 222 CB GLU A 377 -11.820 -3.149 11.468 1.00 1.18 C ATOM 223 CG GLU A 377 -10.426 -3.142 10.861 1.00 1.28 C ATOM 224 CD GLU A 377 -9.552 -4.262 11.394 1.00 1.54 C ATOM 225 OE1 GLU A 377 -9.328 -4.307 12.623 1.00 1.90 O ATOM 226 OE2 GLU A 377 -9.092 -5.093 10.585 1.00 1.92 O ATOM 0 H GLU A 377 -12.635 -1.345 9.013 1.00 0.93 H new ATOM 0 HA GLU A 377 -13.645 -2.028 11.547 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -11.734 -3.111 12.554 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -12.310 -4.091 11.220 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -10.505 -3.232 9.778 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -9.949 -2.184 11.067 1.00 1.28 H new ATOM 233 N ASN A 378 -11.304 -0.165 10.275 1.00 0.71 N ATOM 234 CA ASN A 378 -10.573 1.091 10.414 1.00 0.61 C ATOM 235 C ASN A 378 -10.342 1.776 9.071 1.00 0.58 C ATOM 236 O ASN A 378 -9.201 1.977 8.652 1.00 0.59 O ATOM 237 CB ASN A 378 -9.235 0.853 11.116 1.00 0.62 C ATOM 238 CG ASN A 378 -9.351 0.821 12.628 1.00 1.15 C ATOM 239 OD1 ASN A 378 -8.639 0.071 13.297 1.00 1.16 O ATOM 240 ND2 ASN A 378 -10.215 1.666 13.184 1.00 2.14 N ATOM 0 H ASN A 378 -11.226 -0.601 9.356 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.189 1.755 11.020 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.814 -0.091 10.770 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -8.536 1.638 10.828 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -10.305 1.709 14.199 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -10.787 2.271 12.595 1.00 2.14 H new ATOM 247 N PRO A 379 -11.428 2.157 8.383 1.00 0.62 N ATOM 248 CA PRO A 379 -11.348 2.839 7.085 1.00 0.65 C ATOM 249 C PRO A 379 -10.453 4.078 7.128 1.00 0.61 C ATOM 250 O PRO A 379 -9.690 4.340 6.198 1.00 0.62 O ATOM 251 CB PRO A 379 -12.796 3.258 6.835 1.00 0.77 C ATOM 252 CG PRO A 379 -13.605 2.250 7.565 1.00 0.85 C ATOM 253 CD PRO A 379 -12.828 1.960 8.813 1.00 0.75 C ATOM 0 HA PRO A 379 -10.918 2.200 6.314 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.988 4.265 7.206 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -13.031 3.260 5.771 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.598 2.635 7.798 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.745 1.349 6.968 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -13.100 2.635 9.624 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -13.002 0.945 9.171 1.00 0.75 H new ATOM 261 N ASP A 380 -10.564 4.842 8.213 1.00 0.62 N ATOM 262 CA ASP A 380 -9.780 6.063 8.386 1.00 0.64 C ATOM 263 C ASP A 380 -8.306 5.757 8.637 1.00 0.55 C ATOM 264 O ASP A 380 -7.432 6.514 8.210 1.00 0.55 O ATOM 265 CB ASP A 380 -10.339 6.891 9.542 1.00 0.75 C ATOM 266 CG ASP A 380 -11.794 7.267 9.334 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.093 7.947 8.330 1.00 1.21 O ATOM 268 OD2 ASP A 380 -12.632 6.880 10.174 1.00 1.20 O ATOM 0 H ASP A 380 -11.193 4.635 8.989 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.853 6.633 7.460 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -10.241 6.327 10.470 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.745 7.798 9.656 1.00 0.75 H new ATOM 273 N LYS A 381 -8.038 4.656 9.337 1.00 0.51 N ATOM 274 CA LYS A 381 -6.666 4.259 9.654 1.00 0.47 C ATOM 275 C LYS A 381 -5.753 4.434 8.446 1.00 0.39 C ATOM 276 O LYS A 381 -6.066 3.983 7.345 1.00 0.37 O ATOM 277 CB LYS A 381 -6.632 2.804 10.128 1.00 0.50 C ATOM 278 CG LYS A 381 -5.230 2.269 10.380 1.00 0.52 C ATOM 279 CD LYS A 381 -5.268 0.825 10.858 1.00 0.59 C ATOM 280 CE LYS A 381 -3.870 0.234 10.971 1.00 0.67 C ATOM 281 NZ LYS A 381 -3.897 -1.170 11.465 1.00 1.66 N ATOM 0 H LYS A 381 -8.752 4.023 9.696 1.00 0.51 H new ATOM 0 HA LYS A 381 -6.304 4.905 10.454 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -7.213 2.718 11.046 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -7.120 2.178 9.381 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.643 2.336 9.464 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.730 2.888 11.125 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.764 0.775 11.827 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.861 0.228 10.166 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.383 0.266 9.996 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -3.272 0.845 11.647 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -2.925 -1.535 11.527 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -4.339 -1.198 12.406 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -4.446 -1.759 10.807 1.00 1.66 H new ATOM 295 N ILE A 382 -4.628 5.104 8.663 1.00 0.40 N ATOM 296 CA ILE A 382 -3.669 5.354 7.596 1.00 0.35 C ATOM 297 C ILE A 382 -2.767 4.147 7.363 1.00 0.34 C ATOM 298 O ILE A 382 -2.078 3.692 8.277 1.00 0.41 O ATOM 299 CB ILE A 382 -2.785 6.576 7.922 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.649 7.815 8.182 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.799 6.834 6.791 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.469 8.253 6.988 1.00 0.37 C ATOM 0 H ILE A 382 -4.358 5.484 9.570 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.247 5.550 6.693 1.00 0.35 H new ATOM 0 HB ILE A 382 -2.220 6.361 8.829 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.320 7.609 9.016 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -3.003 8.638 8.489 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.183 7.699 7.036 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.161 5.960 6.658 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.346 7.028 5.868 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.053 9.135 7.251 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -3.804 8.492 6.158 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.142 7.447 6.693 1.00 0.37 H new ATOM 314 N TYR A 383 -2.755 3.646 6.132 1.00 0.30 N ATOM 315 CA TYR A 383 -1.910 2.509 5.784 1.00 0.30 C ATOM 316 C TYR A 383 -0.674 2.991 5.033 1.00 0.28 C ATOM 317 O TYR A 383 -0.749 3.934 4.249 1.00 0.25 O ATOM 318 CB TYR A 383 -2.682 1.484 4.940 1.00 0.32 C ATOM 319 CG TYR A 383 -3.806 0.796 5.684 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.861 1.527 6.217 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.810 -0.583 5.859 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.887 0.904 6.902 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.833 -1.213 6.542 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.876 -0.477 7.039 1.00 0.52 C ATOM 325 OH TYR A 383 -6.889 -1.090 7.742 1.00 0.63 O ATOM 0 H TYR A 383 -3.318 4.007 5.362 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.599 2.018 6.706 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -3.093 1.986 4.064 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.985 0.729 4.577 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.879 2.600 6.094 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -3.000 -1.172 5.454 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.691 1.487 7.327 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.810 -2.283 6.684 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.742 -2.059 7.749 1.00 0.63 H new ATOM 335 N PHE A 384 0.460 2.349 5.282 1.00 0.31 N ATOM 336 CA PHE A 384 1.710 2.726 4.627 1.00 0.30 C ATOM 337 C PHE A 384 1.890 1.958 3.319 1.00 0.28 C ATOM 338 O PHE A 384 1.594 0.766 3.248 1.00 0.33 O ATOM 339 CB PHE A 384 2.900 2.476 5.559 1.00 0.40 C ATOM 340 CG PHE A 384 2.866 3.287 6.827 1.00 0.48 C ATOM 341 CD1 PHE A 384 1.838 3.131 7.746 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.871 4.202 7.104 1.00 0.57 C ATOM 343 CE1 PHE A 384 1.812 3.872 8.911 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.850 4.945 8.269 1.00 0.64 C ATOM 345 CZ PHE A 384 2.819 4.780 9.174 1.00 0.74 C ATOM 0 H PHE A 384 0.542 1.566 5.931 1.00 0.31 H new ATOM 0 HA PHE A 384 1.665 3.790 4.396 1.00 0.30 H new ATOM 0 HB2 PHE A 384 2.930 1.418 5.818 1.00 0.40 H new ATOM 0 HB3 PHE A 384 3.822 2.699 5.022 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.048 2.421 7.548 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.680 4.335 6.401 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.005 3.742 9.616 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.639 5.654 8.472 1.00 0.64 H new ATOM 0 HZ PHE A 384 2.801 5.360 10.085 1.00 0.74 H new ATOM 355 N ILE A 385 2.374 2.645 2.284 1.00 0.26 N ATOM 356 CA ILE A 385 2.581 2.012 0.984 1.00 0.27 C ATOM 357 C ILE A 385 3.966 2.333 0.429 1.00 0.24 C ATOM 358 O ILE A 385 4.393 3.487 0.435 1.00 0.30 O ATOM 359 CB ILE A 385 1.533 2.458 -0.061 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.123 2.490 0.535 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.577 1.533 -1.267 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.143 3.702 1.396 1.00 0.32 C ATOM 0 H ILE A 385 2.628 3.632 2.321 1.00 0.26 H new ATOM 0 HA ILE A 385 2.480 0.940 1.156 1.00 0.27 H new ATOM 0 HB ILE A 385 1.781 3.472 -0.376 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.605 2.464 -0.275 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.031 1.591 1.131 1.00 0.32 H new ATOM 0 HG21 ILE A 385 0.836 1.854 -1.999 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.569 1.568 -1.716 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.358 0.513 -0.951 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.161 3.657 1.784 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.562 3.719 2.227 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.022 4.606 0.799 1.00 0.32 H new ATOM 374 N ARG A 386 4.658 1.308 -0.060 1.00 0.29 N ATOM 375 CA ARG A 386 5.989 1.489 -0.630 1.00 0.30 C ATOM 376 C ARG A 386 5.898 1.767 -2.128 1.00 0.33 C ATOM 377 O ARG A 386 5.362 0.956 -2.885 1.00 0.42 O ATOM 378 CB ARG A 386 6.844 0.240 -0.390 1.00 0.38 C ATOM 379 CG ARG A 386 8.309 0.420 -0.764 1.00 0.50 C ATOM 380 CD ARG A 386 9.020 1.353 0.202 1.00 1.02 C ATOM 381 NE ARG A 386 10.378 1.681 -0.231 1.00 1.40 N ATOM 382 CZ ARG A 386 11.335 0.781 -0.457 1.00 1.86 C ATOM 383 NH1 ARG A 386 11.092 -0.514 -0.306 1.00 2.42 N ATOM 384 NH2 ARG A 386 12.542 1.181 -0.833 1.00 2.39 N ATOM 0 H ARG A 386 4.320 0.346 -0.073 1.00 0.29 H new ATOM 0 HA ARG A 386 6.456 2.343 -0.140 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.778 -0.038 0.662 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.431 -0.589 -0.965 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.806 -0.550 -0.767 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.381 0.819 -1.776 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.443 2.272 0.305 1.00 1.02 H new ATOM 0 HD3 ARG A 386 9.059 0.889 1.188 1.00 1.02 H new ATOM 0 HE ARG A 386 10.608 2.665 -0.369 1.00 1.40 H new ATOM 0 HH11 ARG A 386 10.167 -0.829 -0.015 1.00 2.42 H new ATOM 0 HH12 ARG A 386 11.831 -1.195 -0.481 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.737 2.176 -0.949 1.00 2.39 H new ATOM 0 HH22 ARG A 386 13.276 0.494 -1.006 1.00 2.39 H new ATOM 398 N ARG A 387 6.431 2.908 -2.554 1.00 0.41 N ATOM 399 CA ARG A 387 6.414 3.276 -3.968 1.00 0.51 C ATOM 400 C ARG A 387 7.435 2.455 -4.747 1.00 0.49 C ATOM 401 O ARG A 387 8.323 1.835 -4.160 1.00 0.47 O ATOM 402 CB ARG A 387 6.701 4.768 -4.144 1.00 0.63 C ATOM 403 CG ARG A 387 5.635 5.681 -3.556 1.00 0.84 C ATOM 404 CD ARG A 387 4.296 5.510 -4.256 1.00 0.94 C ATOM 405 NE ARG A 387 4.417 5.648 -5.707 1.00 1.32 N ATOM 406 CZ ARG A 387 3.402 5.490 -6.550 1.00 1.79 C ATOM 407 NH1 ARG A 387 2.197 5.177 -6.094 1.00 2.30 N ATOM 408 NH2 ARG A 387 3.593 5.639 -7.854 1.00 2.25 N ATOM 0 H ARG A 387 6.879 3.592 -1.944 1.00 0.41 H new ATOM 0 HA ARG A 387 5.419 3.064 -4.359 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.659 5.000 -3.679 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.803 4.984 -5.208 1.00 0.63 H new ATOM 0 HG2 ARG A 387 5.519 5.467 -2.493 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.959 6.718 -3.639 1.00 0.84 H new ATOM 0 HD2 ARG A 387 3.885 4.529 -4.018 1.00 0.94 H new ATOM 0 HD3 ARG A 387 3.592 6.251 -3.878 1.00 0.94 H new ATOM 0 HE ARG A 387 5.332 5.879 -6.094 1.00 1.32 H new ATOM 0 HH11 ARG A 387 2.046 5.057 -5.092 1.00 2.30 H new ATOM 0 HH12 ARG A 387 1.421 5.057 -6.745 1.00 2.30 H new ATOM 0 HH21 ARG A 387 4.519 5.875 -8.210 1.00 2.25 H new ATOM 0 HH22 ARG A 387 2.814 5.518 -8.501 1.00 2.25 H new ATOM 422 N GLU A 388 7.303 2.451 -6.069 1.00 0.64 N ATOM 423 CA GLU A 388 8.217 1.701 -6.925 1.00 0.69 C ATOM 424 C GLU A 388 9.645 2.208 -6.768 1.00 0.61 C ATOM 425 O GLU A 388 10.581 1.419 -6.630 1.00 0.63 O ATOM 426 CB GLU A 388 7.788 1.793 -8.393 1.00 0.88 C ATOM 427 CG GLU A 388 6.411 1.207 -8.676 1.00 1.58 C ATOM 428 CD GLU A 388 5.291 1.998 -8.028 1.00 2.20 C ATOM 429 OE1 GLU A 388 5.146 3.195 -8.351 1.00 2.82 O ATOM 430 OE2 GLU A 388 4.561 1.419 -7.196 1.00 2.65 O ATOM 0 H GLU A 388 6.574 2.957 -6.571 1.00 0.64 H new ATOM 0 HA GLU A 388 8.181 0.656 -6.616 1.00 0.69 H new ATOM 0 HB2 GLU A 388 7.795 2.840 -8.698 1.00 0.88 H new ATOM 0 HB3 GLU A 388 8.524 1.277 -9.009 1.00 0.88 H new ATOM 0 HG2 GLU A 388 6.250 1.174 -9.754 1.00 1.58 H new ATOM 0 HG3 GLU A 388 6.378 0.178 -8.317 1.00 1.58 H new ATOM 437 N ASP A 389 9.807 3.528 -6.774 1.00 0.65 N ATOM 438 CA ASP A 389 11.122 4.135 -6.614 1.00 0.69 C ATOM 439 C ASP A 389 11.711 3.757 -5.260 1.00 0.64 C ATOM 440 O ASP A 389 12.899 3.955 -5.005 1.00 0.91 O ATOM 441 CB ASP A 389 11.035 5.658 -6.753 1.00 0.81 C ATOM 442 CG ASP A 389 10.099 6.287 -5.738 1.00 0.80 C ATOM 443 OD1 ASP A 389 9.513 5.539 -4.927 1.00 1.06 O ATOM 444 OD2 ASP A 389 9.952 7.527 -5.752 1.00 1.23 O ATOM 0 H ASP A 389 9.044 4.196 -6.888 1.00 0.65 H new ATOM 0 HA ASP A 389 11.777 3.758 -7.400 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.031 6.087 -6.637 1.00 0.81 H new ATOM 0 HB3 ASP A 389 10.695 5.908 -7.758 1.00 0.81 H new ATOM 449 N GLY A 390 10.859 3.207 -4.401 1.00 0.55 N ATOM 450 CA GLY A 390 11.284 2.796 -3.078 1.00 0.53 C ATOM 451 C GLY A 390 11.118 3.895 -2.047 1.00 0.55 C ATOM 452 O GLY A 390 11.989 4.099 -1.200 1.00 1.03 O ATOM 0 H GLY A 390 9.873 3.038 -4.601 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.708 1.923 -2.770 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.330 2.491 -3.114 1.00 0.53 H new ATOM 456 N THR A 391 9.996 4.603 -2.120 1.00 0.57 N ATOM 457 CA THR A 391 9.710 5.687 -1.188 1.00 0.54 C ATOM 458 C THR A 391 8.413 5.437 -0.427 1.00 0.41 C ATOM 459 O THR A 391 7.330 5.454 -1.010 1.00 0.44 O ATOM 460 CB THR A 391 9.622 7.039 -1.914 1.00 0.71 C ATOM 461 OG1 THR A 391 8.571 7.008 -2.886 1.00 0.98 O ATOM 462 CG2 THR A 391 10.941 7.364 -2.593 1.00 0.88 C ATOM 0 H THR A 391 9.268 4.445 -2.817 1.00 0.57 H new ATOM 0 HA THR A 391 10.536 5.719 -0.477 1.00 0.54 H new ATOM 0 HB THR A 391 9.406 7.813 -1.178 1.00 0.71 H new ATOM 0 HG1 THR A 391 8.875 6.523 -3.681 1.00 0.98 H new ATOM 0 HG21 THR A 391 10.861 8.324 -3.102 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.732 7.414 -1.845 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.177 6.587 -3.320 1.00 0.88 H new ATOM 470 N VAL A 392 8.528 5.209 0.878 1.00 0.37 N ATOM 471 CA VAL A 392 7.358 4.958 1.711 1.00 0.33 C ATOM 472 C VAL A 392 6.505 6.216 1.836 1.00 0.32 C ATOM 473 O VAL A 392 7.024 7.308 2.070 1.00 0.41 O ATOM 474 CB VAL A 392 7.757 4.481 3.121 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.523 4.185 3.959 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.658 3.258 3.038 1.00 0.52 C ATOM 0 H VAL A 392 9.416 5.193 1.379 1.00 0.37 H new ATOM 0 HA VAL A 392 6.783 4.171 1.224 1.00 0.33 H new ATOM 0 HB VAL A 392 8.313 5.282 3.608 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.828 3.850 4.950 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.920 5.089 4.051 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.935 3.404 3.477 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.929 2.937 4.044 1.00 0.52 H new ATOM 0 HG22 VAL A 392 8.131 2.451 2.529 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.561 3.509 2.482 1.00 0.52 H new ATOM 486 N HIS A 393 5.195 6.055 1.673 1.00 0.29 N ATOM 487 CA HIS A 393 4.265 7.177 1.759 1.00 0.31 C ATOM 488 C HIS A 393 2.903 6.720 2.276 1.00 0.27 C ATOM 489 O HIS A 393 2.394 5.672 1.877 1.00 0.26 O ATOM 490 CB HIS A 393 4.107 7.847 0.391 1.00 0.37 C ATOM 491 CG HIS A 393 5.337 8.563 -0.073 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.952 9.557 0.658 1.00 1.92 N ATOM 493 CD2 HIS A 393 6.071 8.423 -1.203 1.00 0.94 C ATOM 494 CE1 HIS A 393 7.009 9.997 -0.001 1.00 2.43 C ATOM 495 NE2 HIS A 393 7.103 9.326 -1.133 1.00 1.82 N ATOM 0 H HIS A 393 4.753 5.156 1.480 1.00 0.29 H new ATOM 0 HA HIS A 393 4.676 7.900 2.463 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.838 7.090 -0.346 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.280 8.556 0.436 1.00 0.37 H new ATOM 0 HD2 HIS A 393 5.880 7.730 -2.009 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.682 10.774 0.331 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.825 9.457 -1.841 1.00 1.82 H new ATOM 504 N ARG A 394 2.322 7.515 3.171 1.00 0.29 N ATOM 505 CA ARG A 394 1.021 7.201 3.755 1.00 0.28 C ATOM 506 C ARG A 394 -0.066 7.120 2.689 1.00 0.26 C ATOM 507 O ARG A 394 0.024 7.758 1.640 1.00 0.32 O ATOM 508 CB ARG A 394 0.640 8.245 4.804 1.00 0.35 C ATOM 509 CG ARG A 394 1.618 8.329 5.963 1.00 0.42 C ATOM 510 CD ARG A 394 1.104 9.250 7.057 1.00 0.52 C ATOM 511 NE ARG A 394 0.862 10.605 6.569 1.00 1.34 N ATOM 512 CZ ARG A 394 0.382 11.587 7.327 1.00 2.01 C ATOM 513 NH1 ARG A 394 0.097 11.366 8.604 1.00 2.41 N ATOM 514 NH2 ARG A 394 0.186 12.793 6.809 1.00 2.96 N ATOM 0 H ARG A 394 2.734 8.385 3.509 1.00 0.29 H new ATOM 0 HA ARG A 394 1.103 6.224 4.232 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.573 9.222 4.325 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.351 8.012 5.193 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.785 7.333 6.373 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.581 8.691 5.603 1.00 0.42 H new ATOM 0 HD2 ARG A 394 0.180 8.843 7.468 1.00 0.52 H new ATOM 0 HD3 ARG A 394 1.828 9.283 7.872 1.00 0.52 H new ATOM 0 HE ARG A 394 1.073 10.810 5.592 1.00 1.34 H new ATOM 0 HH11 ARG A 394 0.246 10.441 9.007 1.00 2.41 H new ATOM 0 HH12 ARG A 394 -0.271 12.121 9.183 1.00 2.41 H new ATOM 0 HH21 ARG A 394 0.403 12.968 5.828 1.00 2.96 H new ATOM 0 HH22 ARG A 394 -0.182 13.545 7.392 1.00 2.96 H new ATOM 528 N GLY A 395 -1.096 6.326 2.972 1.00 0.23 N ATOM 529 CA GLY A 395 -2.195 6.165 2.038 1.00 0.25 C ATOM 530 C GLY A 395 -3.356 5.397 2.642 1.00 0.23 C ATOM 531 O GLY A 395 -3.175 4.290 3.150 1.00 0.26 O ATOM 0 H GLY A 395 -1.188 5.790 3.835 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.541 7.147 1.714 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -1.840 5.643 1.149 1.00 0.25 H new ATOM 535 N GLN A 396 -4.552 5.978 2.586 1.00 0.29 N ATOM 536 CA GLN A 396 -5.740 5.329 3.132 1.00 0.34 C ATOM 537 C GLN A 396 -6.277 4.262 2.188 1.00 0.35 C ATOM 538 O GLN A 396 -6.489 4.519 1.007 1.00 0.46 O ATOM 539 CB GLN A 396 -6.848 6.349 3.412 1.00 0.43 C ATOM 540 CG GLN A 396 -6.595 7.213 4.634 1.00 0.50 C ATOM 541 CD GLN A 396 -7.842 7.948 5.091 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.905 7.348 5.247 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.711 9.245 5.334 1.00 0.61 N ATOM 0 H GLN A 396 -4.723 6.893 2.170 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.438 4.857 4.067 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -6.963 6.994 2.541 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.791 5.819 3.543 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -6.226 6.588 5.447 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.812 7.937 4.408 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -6.811 9.702 5.191 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.511 9.785 5.664 1.00 0.61 H new ATOM 552 N VAL A 397 -6.523 3.073 2.724 1.00 0.33 N ATOM 553 CA VAL A 397 -7.069 1.980 1.934 1.00 0.33 C ATOM 554 C VAL A 397 -8.576 1.885 2.163 1.00 0.33 C ATOM 555 O VAL A 397 -9.039 1.859 3.304 1.00 0.37 O ATOM 556 CB VAL A 397 -6.356 0.643 2.258 1.00 0.38 C ATOM 557 CG1 VAL A 397 -7.313 -0.407 2.799 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.635 0.120 1.032 1.00 0.83 C ATOM 0 H VAL A 397 -6.353 2.842 3.703 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.892 2.184 0.878 1.00 0.33 H new ATOM 0 HB VAL A 397 -5.628 0.848 3.043 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.764 -1.325 3.010 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.774 -0.041 3.716 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -8.087 -0.609 2.059 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -5.139 -0.820 1.275 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -6.354 -0.046 0.230 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.892 0.849 0.708 1.00 0.83 H new ATOM 568 N LEU A 398 -9.339 1.893 1.076 1.00 0.36 N ATOM 569 CA LEU A 398 -10.790 1.868 1.167 1.00 0.40 C ATOM 570 C LEU A 398 -11.391 0.591 0.584 1.00 0.41 C ATOM 571 O LEU A 398 -12.264 -0.026 1.196 1.00 0.47 O ATOM 572 CB LEU A 398 -11.362 3.088 0.441 1.00 0.46 C ATOM 573 CG LEU A 398 -10.693 4.430 0.772 1.00 0.49 C ATOM 574 CD1 LEU A 398 -10.641 4.658 2.275 1.00 1.16 C ATOM 575 CD2 LEU A 398 -9.300 4.516 0.164 1.00 1.45 C ATOM 0 H LEU A 398 -8.975 1.917 0.123 1.00 0.36 H new ATOM 0 HA LEU A 398 -11.055 1.893 2.224 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -11.285 2.919 -0.633 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.424 3.164 0.676 1.00 0.46 H new ATOM 0 HG LEU A 398 -11.301 5.220 0.330 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.162 5.615 2.481 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -11.654 4.664 2.677 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -10.069 3.858 2.745 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -8.852 5.477 0.416 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -8.680 3.712 0.560 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -9.369 4.421 -0.920 1.00 1.45 H new ATOM 587 N GLN A 399 -10.943 0.208 -0.607 1.00 0.39 N ATOM 588 CA GLN A 399 -11.467 -0.984 -1.270 1.00 0.43 C ATOM 589 C GLN A 399 -10.350 -1.928 -1.699 1.00 0.38 C ATOM 590 O GLN A 399 -9.169 -1.626 -1.536 1.00 0.35 O ATOM 591 CB GLN A 399 -12.300 -0.587 -2.488 1.00 0.49 C ATOM 592 CG GLN A 399 -13.469 0.327 -2.156 1.00 0.60 C ATOM 593 CD GLN A 399 -14.295 0.708 -3.374 1.00 1.36 C ATOM 594 OE1 GLN A 399 -15.271 1.450 -3.261 1.00 2.08 O ATOM 595 NE2 GLN A 399 -13.913 0.206 -4.545 1.00 2.04 N ATOM 0 H GLN A 399 -10.222 0.702 -1.132 1.00 0.39 H new ATOM 0 HA GLN A 399 -12.096 -1.509 -0.551 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.655 -0.089 -3.212 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.680 -1.489 -2.967 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -14.113 -0.167 -1.428 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -13.091 1.233 -1.683 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -13.098 -0.405 -4.596 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -14.435 0.432 -5.392 1.00 2.04 H new ATOM 604 N SER A 400 -10.741 -3.077 -2.246 1.00 0.42 N ATOM 605 CA SER A 400 -9.782 -4.076 -2.701 1.00 0.41 C ATOM 606 C SER A 400 -10.457 -5.114 -3.596 1.00 0.47 C ATOM 607 O SER A 400 -11.596 -5.513 -3.348 1.00 0.54 O ATOM 608 CB SER A 400 -9.125 -4.765 -1.504 1.00 0.47 C ATOM 609 OG SER A 400 -10.088 -5.435 -0.708 1.00 0.56 O ATOM 0 H SER A 400 -11.717 -3.338 -2.384 1.00 0.42 H new ATOM 0 HA SER A 400 -9.014 -3.567 -3.284 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.379 -5.478 -1.855 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.599 -4.026 -0.899 1.00 0.47 H new ATOM 0 HG SER A 400 -9.642 -5.868 0.049 1.00 0.56 H new ATOM 615 N ARG A 401 -9.748 -5.548 -4.636 1.00 0.51 N ATOM 616 CA ARG A 401 -10.279 -6.539 -5.568 1.00 0.60 C ATOM 617 C ARG A 401 -9.182 -7.496 -6.023 1.00 0.73 C ATOM 618 O ARG A 401 -8.073 -7.075 -6.349 1.00 0.86 O ATOM 619 CB ARG A 401 -10.900 -5.850 -6.785 1.00 0.65 C ATOM 620 CG ARG A 401 -9.893 -5.083 -7.626 1.00 0.72 C ATOM 621 CD ARG A 401 -10.554 -4.407 -8.817 1.00 0.91 C ATOM 622 NE ARG A 401 -9.584 -3.690 -9.641 1.00 1.02 N ATOM 623 CZ ARG A 401 -9.901 -3.024 -10.747 1.00 1.25 C ATOM 624 NH1 ARG A 401 -11.161 -2.979 -11.162 1.00 1.55 N ATOM 625 NH2 ARG A 401 -8.958 -2.400 -11.438 1.00 1.43 N ATOM 0 H ARG A 401 -8.804 -5.229 -4.854 1.00 0.51 H new ATOM 0 HA ARG A 401 -11.050 -7.110 -5.050 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.386 -6.600 -7.409 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.677 -5.164 -6.447 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -9.400 -4.332 -7.009 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -9.119 -5.765 -7.978 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -11.063 -5.156 -9.424 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -11.315 -3.712 -8.464 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.606 -3.701 -9.351 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -11.890 -3.456 -10.632 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -11.400 -2.467 -12.011 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -7.989 -2.431 -11.121 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -9.201 -1.889 -12.287 1.00 1.43 H new ATOM 639 N THR A 402 -9.497 -8.786 -6.037 1.00 0.82 N ATOM 640 CA THR A 402 -8.539 -9.805 -6.447 1.00 0.99 C ATOM 641 C THR A 402 -8.462 -9.945 -7.963 1.00 1.16 C ATOM 642 O THR A 402 -8.358 -11.056 -8.479 1.00 1.79 O ATOM 643 CB THR A 402 -8.891 -11.172 -5.837 1.00 1.14 C ATOM 644 OG1 THR A 402 -10.270 -11.479 -6.074 1.00 1.38 O ATOM 645 CG2 THR A 402 -8.603 -11.184 -4.347 1.00 1.29 C ATOM 0 H THR A 402 -10.411 -9.151 -5.768 1.00 0.82 H new ATOM 0 HA THR A 402 -7.567 -9.477 -6.079 1.00 0.99 H new ATOM 0 HB THR A 402 -8.272 -11.931 -6.315 1.00 1.14 H new ATOM 0 HG1 THR A 402 -10.436 -11.515 -7.039 1.00 1.38 H new ATOM 0 HG21 THR A 402 -8.859 -12.160 -3.935 1.00 1.29 H new ATOM 0 HG22 THR A 402 -7.544 -10.986 -4.179 1.00 1.29 H new ATOM 0 HG23 THR A 402 -9.199 -10.415 -3.855 1.00 1.29 H new ATOM 653 N THR A 403 -8.504 -8.820 -8.675 1.00 1.43 N ATOM 654 CA THR A 403 -8.432 -8.835 -10.135 1.00 1.62 C ATOM 655 C THR A 403 -9.450 -9.826 -10.713 1.00 1.84 C ATOM 656 O THR A 403 -10.271 -10.377 -9.978 1.00 1.85 O ATOM 657 CB THR A 403 -7.013 -9.206 -10.613 1.00 1.77 C ATOM 658 OG1 THR A 403 -6.040 -8.576 -9.772 1.00 1.78 O ATOM 659 CG2 THR A 403 -6.780 -8.764 -12.051 1.00 1.95 C ATOM 0 H THR A 403 -8.587 -7.889 -8.266 1.00 1.43 H new ATOM 0 HA THR A 403 -8.669 -7.833 -10.492 1.00 1.62 H new ATOM 0 HB THR A 403 -6.915 -10.290 -10.560 1.00 1.77 H new ATOM 0 HG1 THR A 403 -6.448 -7.811 -9.315 1.00 1.78 H new ATOM 0 HG21 THR A 403 -5.771 -9.040 -12.358 1.00 1.95 H new ATOM 0 HG22 THR A 403 -7.504 -9.252 -12.704 1.00 1.95 H new ATOM 0 HG23 THR A 403 -6.898 -7.683 -12.123 1.00 1.95 H new ATOM 667 N GLU A 404 -9.401 -10.052 -12.023 1.00 2.08 N ATOM 668 CA GLU A 404 -10.322 -10.982 -12.664 1.00 2.34 C ATOM 669 C GLU A 404 -10.219 -12.363 -12.021 1.00 2.30 C ATOM 670 O GLU A 404 -11.227 -12.956 -11.638 1.00 2.37 O ATOM 671 CB GLU A 404 -10.030 -11.076 -14.163 1.00 2.72 C ATOM 672 CG GLU A 404 -10.143 -9.746 -14.891 1.00 2.91 C ATOM 673 CD GLU A 404 -9.862 -9.866 -16.376 1.00 3.42 C ATOM 674 OE1 GLU A 404 -10.588 -10.621 -17.057 1.00 3.87 O ATOM 675 OE2 GLU A 404 -8.918 -9.205 -16.858 1.00 3.79 O ATOM 0 H GLU A 404 -8.737 -9.607 -12.657 1.00 2.08 H new ATOM 0 HA GLU A 404 -11.337 -10.608 -12.529 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -9.025 -11.474 -14.304 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -10.721 -11.788 -14.615 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -11.145 -9.341 -14.747 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -9.445 -9.034 -14.450 1.00 2.91 H new ATOM 682 N ASN A 405 -8.991 -12.864 -11.892 1.00 2.26 N ATOM 683 CA ASN A 405 -8.755 -14.169 -11.280 1.00 2.30 C ATOM 684 C ASN A 405 -8.703 -14.048 -9.761 1.00 2.07 C ATOM 685 O ASN A 405 -7.833 -13.372 -9.218 1.00 2.40 O ATOM 686 CB ASN A 405 -7.442 -14.768 -11.790 1.00 2.43 C ATOM 687 CG ASN A 405 -7.146 -16.122 -11.173 1.00 2.67 C ATOM 688 OD1 ASN A 405 -7.930 -17.061 -11.306 1.00 3.16 O ATOM 689 ND2 ASN A 405 -6.010 -16.228 -10.495 1.00 2.73 N ATOM 0 H ASN A 405 -8.146 -12.386 -12.203 1.00 2.26 H new ATOM 0 HA ASN A 405 -9.580 -14.826 -11.556 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -7.489 -14.868 -12.874 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -6.623 -14.084 -11.568 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -5.757 -17.115 -10.059 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -5.390 -15.423 -10.410 1.00 2.73 H new ATOM 696 N ALA A 406 -9.628 -14.710 -9.077 1.00 1.82 N ATOM 697 CA ALA A 406 -9.668 -14.667 -7.620 1.00 1.67 C ATOM 698 C ALA A 406 -9.071 -15.932 -7.011 1.00 1.85 C ATOM 699 O ALA A 406 -9.794 -16.815 -6.550 1.00 2.18 O ATOM 700 CB ALA A 406 -11.089 -14.452 -7.129 1.00 1.72 C ATOM 0 H ALA A 406 -10.357 -15.280 -9.505 1.00 1.82 H new ATOM 0 HA ALA A 406 -9.060 -13.823 -7.294 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -11.097 -14.423 -6.039 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -11.470 -13.509 -7.520 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -11.721 -15.270 -7.475 1.00 1.72 H new ATOM 706 N ALA A 407 -7.744 -16.009 -7.018 1.00 1.91 N ATOM 707 CA ALA A 407 -7.037 -17.160 -6.469 1.00 2.19 C ATOM 708 C ALA A 407 -5.587 -16.806 -6.168 1.00 2.37 C ATOM 709 O ALA A 407 -4.770 -17.678 -5.873 1.00 2.77 O ATOM 710 CB ALA A 407 -7.101 -18.325 -7.443 1.00 2.38 C ATOM 0 H ALA A 407 -7.135 -15.285 -7.399 1.00 1.91 H new ATOM 0 HA ALA A 407 -7.521 -17.451 -5.536 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -6.570 -19.180 -7.024 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -8.142 -18.595 -7.619 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -6.637 -18.037 -8.386 1.00 2.38 H new ATOM 716 N ALA A 408 -5.283 -15.514 -6.245 1.00 2.15 N ATOM 717 CA ALA A 408 -3.939 -15.012 -5.987 1.00 2.35 C ATOM 718 C ALA A 408 -3.892 -13.487 -6.113 1.00 2.05 C ATOM 719 O ALA A 408 -3.412 -12.802 -5.210 1.00 1.99 O ATOM 720 CB ALA A 408 -2.933 -15.657 -6.935 1.00 2.76 C ATOM 0 H ALA A 408 -5.958 -14.789 -6.487 1.00 2.15 H new ATOM 0 HA ALA A 408 -3.670 -15.278 -4.965 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -1.936 -15.269 -6.726 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -2.939 -16.738 -6.792 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -3.204 -15.426 -7.965 1.00 2.76 H new ATOM 726 N PRO A 409 -4.391 -12.930 -7.239 1.00 1.99 N ATOM 727 CA PRO A 409 -4.399 -11.481 -7.470 1.00 1.80 C ATOM 728 C PRO A 409 -5.128 -10.710 -6.383 1.00 1.41 C ATOM 729 O PRO A 409 -6.009 -11.246 -5.716 1.00 1.86 O ATOM 730 CB PRO A 409 -5.123 -11.330 -8.812 1.00 2.10 C ATOM 731 CG PRO A 409 -4.953 -12.646 -9.482 1.00 2.49 C ATOM 732 CD PRO A 409 -4.979 -13.662 -8.379 1.00 2.27 C ATOM 0 HA PRO A 409 -3.388 -11.074 -7.467 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -6.177 -11.092 -8.669 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -4.692 -10.524 -9.406 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -5.752 -12.827 -10.201 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -4.013 -12.688 -10.032 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -5.993 -13.997 -8.163 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -4.397 -14.548 -8.633 1.00 2.27 H new ATOM 740 N ASP A 410 -4.746 -9.446 -6.212 1.00 0.92 N ATOM 741 CA ASP A 410 -5.355 -8.580 -5.208 1.00 0.79 C ATOM 742 C ASP A 410 -4.751 -7.177 -5.253 1.00 0.68 C ATOM 743 O ASP A 410 -3.531 -7.011 -5.254 1.00 0.93 O ATOM 744 CB ASP A 410 -5.199 -9.182 -3.807 1.00 1.18 C ATOM 745 CG ASP A 410 -3.753 -9.470 -3.442 1.00 1.62 C ATOM 746 OD1 ASP A 410 -2.872 -9.261 -4.303 1.00 1.99 O ATOM 747 OD2 ASP A 410 -3.499 -9.896 -2.296 1.00 2.14 O ATOM 0 H ASP A 410 -4.012 -8.998 -6.761 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.418 -8.501 -5.436 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -5.623 -8.496 -3.074 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -5.774 -10.106 -3.749 1.00 1.18 H new ATOM 752 N GLU A 411 -5.621 -6.172 -5.284 1.00 0.54 N ATOM 753 CA GLU A 411 -5.195 -4.776 -5.322 1.00 0.45 C ATOM 754 C GLU A 411 -6.045 -3.948 -4.369 1.00 0.40 C ATOM 755 O GLU A 411 -7.264 -4.106 -4.318 1.00 0.42 O ATOM 756 CB GLU A 411 -5.298 -4.203 -6.740 1.00 0.49 C ATOM 757 CG GLU A 411 -4.353 -4.850 -7.742 1.00 0.58 C ATOM 758 CD GLU A 411 -4.816 -6.219 -8.203 1.00 1.47 C ATOM 759 OE1 GLU A 411 -5.933 -6.625 -7.820 1.00 2.10 O ATOM 760 OE2 GLU A 411 -4.059 -6.892 -8.933 1.00 2.08 O ATOM 0 H GLU A 411 -6.633 -6.300 -5.284 1.00 0.54 H new ATOM 0 HA GLU A 411 -4.151 -4.732 -5.012 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.322 -4.321 -7.094 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -5.094 -3.133 -6.704 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -4.251 -4.197 -8.609 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -3.364 -4.940 -7.293 1.00 0.58 H new ATOM 767 N TYR A 412 -5.398 -3.082 -3.596 1.00 0.38 N ATOM 768 CA TYR A 412 -6.106 -2.257 -2.626 1.00 0.35 C ATOM 769 C TYR A 412 -6.107 -0.783 -3.025 1.00 0.33 C ATOM 770 O TYR A 412 -5.059 -0.206 -3.309 1.00 0.34 O ATOM 771 CB TYR A 412 -5.462 -2.396 -1.242 1.00 0.39 C ATOM 772 CG TYR A 412 -5.365 -3.818 -0.727 1.00 0.45 C ATOM 773 CD1 TYR A 412 -4.702 -4.793 -1.460 1.00 0.50 C ATOM 774 CD2 TYR A 412 -5.950 -4.189 0.479 1.00 0.53 C ATOM 775 CE1 TYR A 412 -4.623 -6.096 -1.007 1.00 0.58 C ATOM 776 CE2 TYR A 412 -5.872 -5.489 0.940 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.164 -6.416 0.244 1.00 0.62 C ATOM 778 OH TYR A 412 -5.134 -7.734 0.646 1.00 0.72 O ATOM 0 H TYR A 412 -4.389 -2.934 -3.622 1.00 0.38 H new ATOM 0 HA TYR A 412 -7.137 -2.608 -2.599 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.460 -1.968 -1.278 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -6.036 -1.804 -0.529 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.240 -4.529 -2.400 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.474 -3.448 1.065 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.150 -6.857 -1.610 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -6.374 -5.768 1.854 1.00 0.61 H new ATOM 0 HH TYR A 412 -4.940 -8.307 -0.125 1.00 0.72 H new ATOM 788 N TYR A 413 -7.290 -0.172 -3.005 1.00 0.33 N ATOM 789 CA TYR A 413 -7.425 1.244 -3.321 1.00 0.32 C ATOM 790 C TYR A 413 -6.693 2.049 -2.256 1.00 0.32 C ATOM 791 O TYR A 413 -6.721 1.678 -1.086 1.00 0.40 O ATOM 792 CB TYR A 413 -8.901 1.641 -3.353 1.00 0.36 C ATOM 793 CG TYR A 413 -9.151 3.042 -3.874 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.531 3.497 -5.032 1.00 0.40 C ATOM 795 CD2 TYR A 413 -10.011 3.905 -3.209 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.760 4.773 -5.511 1.00 0.44 C ATOM 797 CE2 TYR A 413 -10.247 5.183 -3.683 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.619 5.611 -4.832 1.00 0.46 C ATOM 799 OH TYR A 413 -9.851 6.882 -5.306 1.00 0.51 O ATOM 0 H TYR A 413 -8.167 -0.637 -2.773 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.995 1.445 -4.302 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.444 0.930 -3.976 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.310 1.560 -2.346 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.859 2.842 -5.567 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.504 3.573 -2.307 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -8.269 5.112 -6.411 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.920 5.842 -3.155 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.481 7.342 -4.713 1.00 0.51 H new ATOM 809 N VAL A 414 -6.021 3.127 -2.639 1.00 0.33 N ATOM 810 CA VAL A 414 -5.281 3.905 -1.655 1.00 0.33 C ATOM 811 C VAL A 414 -5.229 5.400 -1.970 1.00 0.29 C ATOM 812 O VAL A 414 -4.553 5.834 -2.904 1.00 0.38 O ATOM 813 CB VAL A 414 -3.846 3.361 -1.505 1.00 0.39 C ATOM 814 CG1 VAL A 414 -3.137 3.326 -2.850 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.060 4.187 -0.501 1.00 1.15 C ATOM 0 H VAL A 414 -5.973 3.475 -3.596 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.827 3.796 -0.718 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.908 2.339 -1.130 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -2.127 2.939 -2.719 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.687 2.680 -3.535 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.089 4.334 -3.262 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.051 3.786 -0.411 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.010 5.222 -0.841 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.555 4.147 0.470 1.00 1.15 H new ATOM 825 N HIS A 415 -5.924 6.185 -1.147 1.00 0.33 N ATOM 826 CA HIS A 415 -5.939 7.634 -1.291 1.00 0.32 C ATOM 827 C HIS A 415 -4.749 8.229 -0.542 1.00 0.32 C ATOM 828 O HIS A 415 -4.843 8.516 0.653 1.00 0.34 O ATOM 829 CB HIS A 415 -7.244 8.213 -0.737 1.00 0.37 C ATOM 830 CG HIS A 415 -7.395 9.685 -0.968 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.456 10.245 -2.227 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.493 10.718 -0.095 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.583 11.556 -2.119 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.609 11.868 -0.836 1.00 0.62 N ATOM 0 H HIS A 415 -6.486 5.836 -0.371 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.870 7.887 -2.349 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -8.085 7.694 -1.196 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.293 8.015 0.334 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -7.410 9.728 -3.105 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -7.482 10.649 0.983 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.654 12.254 -2.940 1.00 0.60 H new ATOM 843 N TYR A 416 -3.626 8.389 -1.236 1.00 0.37 N ATOM 844 CA TYR A 416 -2.417 8.925 -0.616 1.00 0.40 C ATOM 845 C TYR A 416 -2.693 10.248 0.088 1.00 0.45 C ATOM 846 O TYR A 416 -3.262 11.171 -0.495 1.00 0.57 O ATOM 847 CB TYR A 416 -1.311 9.111 -1.657 1.00 0.46 C ATOM 848 CG TYR A 416 -0.881 7.827 -2.328 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.691 7.216 -3.275 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.331 7.226 -2.016 1.00 0.51 C ATOM 851 CE1 TYR A 416 -1.306 6.042 -3.892 1.00 0.59 C ATOM 852 CE2 TYR A 416 0.724 6.051 -2.629 1.00 0.54 C ATOM 853 CZ TYR A 416 -0.085 5.464 -3.558 1.00 0.57 C ATOM 854 OH TYR A 416 0.288 4.292 -4.176 1.00 0.65 O ATOM 0 H TYR A 416 -3.527 8.156 -2.224 1.00 0.37 H new ATOM 0 HA TYR A 416 -2.085 8.203 0.130 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.656 9.810 -2.419 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.445 9.566 -1.176 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.638 7.666 -3.534 1.00 0.53 H new ATOM 0 HD2 TYR A 416 0.978 7.684 -1.282 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.946 5.577 -4.627 1.00 0.59 H new ATOM 0 HE2 TYR A 416 1.670 5.598 -2.373 1.00 0.54 H new ATOM 0 HH TYR A 416 -0.100 4.258 -5.075 1.00 0.65 H new ATOM 864 N VAL A 417 -2.278 10.329 1.350 1.00 0.45 N ATOM 865 CA VAL A 417 -2.472 11.534 2.145 1.00 0.55 C ATOM 866 C VAL A 417 -1.529 12.643 1.701 1.00 0.66 C ATOM 867 O VAL A 417 -0.317 12.446 1.619 1.00 1.34 O ATOM 868 CB VAL A 417 -2.253 11.255 3.645 1.00 0.68 C ATOM 869 CG1 VAL A 417 -2.432 12.525 4.465 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.201 10.169 4.123 1.00 1.01 C ATOM 0 H VAL A 417 -1.805 9.572 1.843 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.502 11.856 1.989 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.229 10.907 3.784 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -2.272 12.302 5.520 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -1.710 13.274 4.139 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -3.442 12.910 4.324 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.035 9.982 5.184 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.231 10.491 3.968 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.018 9.253 3.561 1.00 1.01 H new ATOM 880 N GLY A 418 -2.094 13.811 1.426 1.00 0.71 N ATOM 881 CA GLY A 418 -1.294 14.947 0.996 1.00 0.82 C ATOM 882 C GLY A 418 -0.870 14.858 -0.461 1.00 0.72 C ATOM 883 O GLY A 418 -0.959 15.842 -1.197 1.00 0.76 O ATOM 0 H GLY A 418 -3.095 13.995 1.493 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -1.864 15.864 1.147 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.405 15.017 1.624 1.00 0.82 H new ATOM 887 N LEU A 419 -0.408 13.682 -0.879 1.00 0.66 N ATOM 888 CA LEU A 419 0.031 13.475 -2.256 1.00 0.60 C ATOM 889 C LEU A 419 -1.101 13.743 -3.242 1.00 0.59 C ATOM 890 O LEU A 419 -2.274 13.538 -2.928 1.00 0.76 O ATOM 891 CB LEU A 419 0.567 12.052 -2.447 1.00 0.58 C ATOM 892 CG LEU A 419 1.928 11.770 -1.802 1.00 0.78 C ATOM 893 CD1 LEU A 419 1.833 11.796 -0.285 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.475 10.434 -2.279 1.00 1.40 C ATOM 0 H LEU A 419 -0.328 12.858 -0.283 1.00 0.66 H new ATOM 0 HA LEU A 419 0.835 14.184 -2.455 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.161 11.350 -2.040 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.642 11.850 -3.516 1.00 0.58 H new ATOM 0 HG LEU A 419 2.616 12.558 -2.108 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.814 11.593 0.145 1.00 1.60 H new ATOM 0 HD12 LEU A 419 1.491 12.778 0.041 1.00 1.60 H new ATOM 0 HD13 LEU A 419 1.126 11.036 0.048 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.442 10.249 -1.811 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.782 9.639 -2.006 1.00 1.40 H new ATOM 0 HD23 LEU A 419 2.594 10.455 -3.362 1.00 1.40 H new ATOM 906 N ASN A 420 -0.737 14.211 -4.433 1.00 0.61 N ATOM 907 CA ASN A 420 -1.688 14.521 -5.471 1.00 0.63 C ATOM 908 C ASN A 420 -2.594 13.334 -5.782 1.00 0.56 C ATOM 909 O ASN A 420 -2.142 12.191 -5.854 1.00 0.56 O ATOM 910 CB ASN A 420 -0.918 14.938 -6.713 1.00 0.75 C ATOM 911 CG ASN A 420 -0.132 16.217 -6.505 1.00 1.57 C ATOM 912 OD1 ASN A 420 -0.702 17.269 -6.211 1.00 2.53 O ATOM 913 ND2 ASN A 420 1.185 16.134 -6.656 1.00 1.98 N ATOM 0 H ASN A 420 0.233 14.383 -4.696 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.333 15.331 -5.132 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -0.235 14.138 -6.999 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -1.615 15.074 -7.540 1.00 0.75 H new ATOM 0 HD21 ASN A 420 1.766 16.962 -6.528 1.00 1.98 H new ATOM 0 HD22 ASN A 420 1.615 15.242 -6.900 1.00 1.98 H new ATOM 920 N ARG A 421 -3.880 13.622 -5.958 1.00 0.62 N ATOM 921 CA ARG A 421 -4.871 12.595 -6.256 1.00 0.67 C ATOM 922 C ARG A 421 -4.459 11.758 -7.468 1.00 0.66 C ATOM 923 O ARG A 421 -4.770 10.570 -7.541 1.00 0.69 O ATOM 924 CB ARG A 421 -6.249 13.226 -6.498 1.00 0.87 C ATOM 925 CG ARG A 421 -6.389 13.951 -7.833 1.00 1.09 C ATOM 926 CD ARG A 421 -5.462 15.152 -7.939 1.00 1.51 C ATOM 927 NE ARG A 421 -5.667 15.894 -9.179 1.00 2.25 N ATOM 928 CZ ARG A 421 -4.975 16.980 -9.512 1.00 3.00 C ATOM 929 NH1 ARG A 421 -4.033 17.444 -8.701 1.00 3.28 N ATOM 930 NH2 ARG A 421 -5.223 17.602 -10.655 1.00 3.98 N ATOM 0 H ARG A 421 -4.262 14.566 -5.899 1.00 0.62 H new ATOM 0 HA ARG A 421 -4.931 11.935 -5.390 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -7.007 12.445 -6.442 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.458 13.931 -5.693 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.174 13.256 -8.645 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -7.421 14.279 -7.959 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -5.628 15.814 -7.089 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -4.426 14.816 -7.884 1.00 1.51 H new ATOM 0 HE ARG A 421 -6.381 15.561 -9.827 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -3.838 16.968 -7.820 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -3.503 18.277 -8.958 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -5.946 17.248 -11.282 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -4.691 18.435 -10.908 1.00 3.98 H new ATOM 944 N ARG A 422 -3.763 12.382 -8.416 1.00 0.71 N ATOM 945 CA ARG A 422 -3.321 11.682 -9.619 1.00 0.83 C ATOM 946 C ARG A 422 -2.516 10.437 -9.249 1.00 0.72 C ATOM 947 O ARG A 422 -2.651 9.389 -9.880 1.00 0.77 O ATOM 948 CB ARG A 422 -2.507 12.622 -10.522 1.00 1.01 C ATOM 949 CG ARG A 422 -1.180 13.080 -9.932 1.00 1.19 C ATOM 950 CD ARG A 422 -0.058 12.100 -10.245 1.00 1.49 C ATOM 951 NE ARG A 422 0.143 11.946 -11.685 1.00 2.09 N ATOM 952 CZ ARG A 422 1.057 11.142 -12.222 1.00 2.79 C ATOM 953 NH1 ARG A 422 1.851 10.419 -11.444 1.00 3.07 N ATOM 954 NH2 ARG A 422 1.177 11.061 -13.540 1.00 3.71 N ATOM 0 H ARG A 422 -3.494 13.365 -8.375 1.00 0.71 H new ATOM 0 HA ARG A 422 -4.200 11.360 -10.177 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -2.313 12.117 -11.468 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -3.111 13.501 -10.747 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -0.926 14.063 -10.328 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -1.279 13.187 -8.852 1.00 1.19 H new ATOM 0 HD2 ARG A 422 0.867 12.447 -9.784 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -0.289 11.130 -9.805 1.00 1.49 H new ATOM 0 HE ARG A 422 -0.452 12.486 -12.314 1.00 2.09 H new ATOM 0 HH11 ARG A 422 1.762 10.478 -10.430 1.00 3.07 H new ATOM 0 HH12 ARG A 422 2.550 9.804 -11.860 1.00 3.07 H new ATOM 0 HH21 ARG A 422 0.569 11.615 -14.143 1.00 3.71 H new ATOM 0 HH22 ARG A 422 1.878 10.445 -13.951 1.00 3.71 H new ATOM 968 N LEU A 423 -1.694 10.555 -8.210 1.00 0.65 N ATOM 969 CA LEU A 423 -0.882 9.436 -7.740 1.00 0.62 C ATOM 970 C LEU A 423 -1.770 8.323 -7.193 1.00 0.52 C ATOM 971 O LEU A 423 -1.461 7.139 -7.331 1.00 0.53 O ATOM 972 CB LEU A 423 0.085 9.899 -6.645 1.00 0.69 C ATOM 973 CG LEU A 423 1.166 10.883 -7.094 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.962 11.376 -5.897 1.00 1.31 C ATOM 975 CD2 LEU A 423 2.091 10.229 -8.109 1.00 1.49 C ATOM 0 H LEU A 423 -1.572 11.416 -7.676 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.311 9.054 -8.586 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.494 10.362 -5.846 1.00 0.69 H new ATOM 0 HB3 LEU A 423 0.571 9.021 -6.219 1.00 0.69 H new ATOM 0 HG LEU A 423 0.681 11.737 -7.566 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.728 12.076 -6.232 1.00 1.31 H new ATOM 0 HD12 LEU A 423 1.294 11.878 -5.197 1.00 1.31 H new ATOM 0 HD13 LEU A 423 2.436 10.529 -5.402 1.00 1.31 H new ATOM 0 HD21 LEU A 423 2.855 10.943 -8.418 1.00 1.49 H new ATOM 0 HD22 LEU A 423 2.569 9.359 -7.658 1.00 1.49 H new ATOM 0 HD23 LEU A 423 1.513 9.916 -8.979 1.00 1.49 H new ATOM 987 N ASP A 424 -2.868 8.722 -6.559 1.00 0.49 N ATOM 988 CA ASP A 424 -3.811 7.778 -5.968 1.00 0.50 C ATOM 989 C ASP A 424 -4.298 6.757 -6.990 1.00 0.45 C ATOM 990 O ASP A 424 -4.589 7.096 -8.138 1.00 0.49 O ATOM 991 CB ASP A 424 -5.002 8.534 -5.379 1.00 0.66 C ATOM 992 CG ASP A 424 -4.576 9.585 -4.373 1.00 0.81 C ATOM 993 OD1 ASP A 424 -3.365 9.675 -4.088 1.00 0.97 O ATOM 994 OD2 ASP A 424 -5.453 10.319 -3.869 1.00 1.20 O ATOM 0 H ASP A 424 -3.128 9.701 -6.441 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.292 7.237 -5.177 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.561 9.011 -6.184 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -5.677 7.826 -4.898 1.00 0.66 H new ATOM 999 N GLY A 425 -4.387 5.504 -6.556 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.842 4.438 -7.427 1.00 0.50 C ATOM 1001 C GLY A 425 -4.875 3.100 -6.715 1.00 0.45 C ATOM 1002 O GLY A 425 -5.226 3.027 -5.538 1.00 0.70 O ATOM 0 H GLY A 425 -4.150 5.207 -5.609 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.838 4.675 -7.800 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -4.184 4.372 -8.294 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.500 2.041 -7.423 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.483 0.704 -6.841 1.00 0.44 C ATOM 1008 C TRP A 426 -3.052 0.252 -6.571 1.00 0.45 C ATOM 1009 O TRP A 426 -2.145 0.520 -7.360 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.202 -0.290 -7.754 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.646 0.053 -7.965 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.143 1.073 -8.724 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.778 -0.607 -7.387 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.516 1.078 -8.665 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.929 0.059 -7.849 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -7.930 -1.698 -6.527 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.213 -0.333 -7.481 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.205 -2.084 -6.160 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.333 -1.403 -6.636 1.00 0.59 C ATOM 0 H TRP A 426 -4.204 2.082 -8.398 1.00 0.50 H new ATOM 0 HA TRP A 426 -5.014 0.738 -5.889 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.696 -0.321 -8.719 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.130 -1.289 -7.324 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.545 1.773 -9.288 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -9.128 1.734 -9.150 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.066 -2.230 -6.156 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -11.084 0.189 -7.849 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.334 -2.925 -5.495 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.316 -1.729 -6.330 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.854 -0.414 -5.439 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.529 -0.884 -5.047 1.00 0.46 C ATOM 1032 C VAL A 427 -1.553 -2.336 -4.586 1.00 0.51 C ATOM 1033 O VAL A 427 -2.487 -2.772 -3.912 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.957 -0.017 -3.913 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.633 1.379 -4.413 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.939 0.054 -2.759 1.00 0.85 C ATOM 0 H VAL A 427 -3.595 -0.641 -4.775 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.897 -0.807 -5.931 1.00 0.46 H new ATOM 0 HB VAL A 427 -0.034 -0.478 -3.562 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.230 1.974 -3.594 1.00 0.89 H new ATOM 0 HG12 VAL A 427 0.104 1.317 -5.213 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.540 1.850 -4.791 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -1.521 0.671 -1.963 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.875 0.492 -3.104 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -2.127 -0.950 -2.379 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.511 -3.076 -4.948 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.413 -4.471 -4.560 1.00 0.65 C ATOM 1048 C GLY A 428 -0.283 -4.649 -3.059 1.00 0.79 C ATOM 1049 O GLY A 428 0.245 -3.779 -2.367 1.00 1.72 O ATOM 0 H GLY A 428 0.271 -2.733 -5.506 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.296 -5.005 -4.911 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.449 -4.922 -5.052 1.00 0.65 H new ATOM 1053 N ARG A 429 -0.771 -5.781 -2.560 1.00 0.54 N ATOM 1054 CA ARG A 429 -0.715 -6.089 -1.131 1.00 0.54 C ATOM 1055 C ARG A 429 0.704 -5.928 -0.584 1.00 0.49 C ATOM 1056 O ARG A 429 0.897 -5.462 0.539 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.211 -7.520 -0.890 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.087 -7.990 0.552 1.00 0.83 C ATOM 1059 CD ARG A 429 -1.908 -7.131 1.501 1.00 0.85 C ATOM 1060 NE ARG A 429 -1.816 -7.597 2.883 1.00 1.20 N ATOM 1061 CZ ARG A 429 -0.708 -7.530 3.618 1.00 1.26 C ATOM 1062 NH1 ARG A 429 0.385 -6.956 3.131 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -0.698 -8.022 4.848 1.00 1.65 N ATOM 0 H ARG A 429 -1.213 -6.505 -3.127 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.360 -5.386 -0.605 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.256 -7.586 -1.193 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -0.650 -8.200 -1.531 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.415 -9.027 0.625 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.040 -7.965 0.853 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.564 -6.098 1.444 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -2.951 -7.138 1.185 1.00 0.85 H new ATOM 0 HE ARG A 429 -2.651 -7.998 3.310 1.00 1.20 H new ATOM 0 HH11 ARG A 429 0.379 -6.564 2.190 1.00 1.73 H new ATOM 0 HH12 ARG A 429 1.231 -6.907 3.698 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -1.539 -8.452 5.232 1.00 1.65 H new ATOM 0 HH22 ARG A 429 0.151 -7.971 5.411 1.00 1.65 H new ATOM 1077 N HIS A 430 1.688 -6.324 -1.383 1.00 0.49 N ATOM 1078 CA HIS A 430 3.092 -6.238 -0.984 1.00 0.53 C ATOM 1079 C HIS A 430 3.526 -4.805 -0.684 1.00 0.47 C ATOM 1080 O HIS A 430 4.432 -4.583 0.121 1.00 0.49 O ATOM 1081 CB HIS A 430 3.992 -6.838 -2.063 1.00 0.65 C ATOM 1082 CG HIS A 430 3.668 -6.383 -3.453 1.00 0.77 C ATOM 1083 ND1 HIS A 430 3.771 -5.071 -3.864 1.00 1.20 N ATOM 1084 CD2 HIS A 430 3.243 -7.081 -4.535 1.00 1.47 C ATOM 1085 CE1 HIS A 430 3.425 -4.982 -5.137 1.00 1.31 C ATOM 1086 NE2 HIS A 430 3.102 -6.186 -5.566 1.00 1.46 N ATOM 0 H HIS A 430 1.541 -6.710 -2.316 1.00 0.49 H new ATOM 0 HA HIS A 430 3.194 -6.811 -0.063 1.00 0.53 H new ATOM 0 HB2 HIS A 430 5.028 -6.582 -1.841 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.916 -7.925 -2.021 1.00 0.65 H new ATOM 0 HD2 HIS A 430 3.051 -8.143 -4.578 1.00 1.47 H new ATOM 0 HE1 HIS A 430 3.410 -4.077 -5.726 1.00 1.31 H new ATOM 0 HE2 HIS A 430 2.797 -6.415 -6.512 1.00 1.46 H new ATOM 1095 N ARG A 431 2.894 -3.838 -1.336 1.00 0.43 N ATOM 1096 CA ARG A 431 3.243 -2.435 -1.135 1.00 0.41 C ATOM 1097 C ARG A 431 2.649 -1.890 0.161 1.00 0.37 C ATOM 1098 O ARG A 431 3.265 -1.061 0.831 1.00 0.57 O ATOM 1099 CB ARG A 431 2.769 -1.591 -2.319 1.00 0.44 C ATOM 1100 CG ARG A 431 3.428 -1.966 -3.633 1.00 0.53 C ATOM 1101 CD ARG A 431 2.961 -1.068 -4.769 1.00 0.64 C ATOM 1102 NE ARG A 431 3.565 -1.437 -6.048 1.00 1.39 N ATOM 1103 CZ ARG A 431 4.873 -1.384 -6.295 1.00 2.05 C ATOM 1104 NH1 ARG A 431 5.716 -0.962 -5.361 1.00 2.55 N ATOM 1105 NH2 ARG A 431 5.338 -1.749 -7.483 1.00 2.84 N ATOM 0 H ARG A 431 2.141 -3.996 -2.005 1.00 0.43 H new ATOM 0 HA ARG A 431 4.329 -2.375 -1.062 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.689 -1.696 -2.421 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.968 -0.540 -2.109 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.511 -1.893 -3.532 1.00 0.53 H new ATOM 0 HG3 ARG A 431 3.200 -3.005 -3.872 1.00 0.53 H new ATOM 0 HD2 ARG A 431 1.876 -1.124 -4.852 1.00 0.64 H new ATOM 0 HD3 ARG A 431 3.210 -0.032 -4.537 1.00 0.64 H new ATOM 0 HE ARG A 431 2.948 -1.754 -6.796 1.00 1.39 H new ATOM 0 HH11 ARG A 431 5.364 -0.676 -4.448 1.00 2.55 H new ATOM 0 HH12 ARG A 431 6.716 -0.924 -5.557 1.00 2.55 H new ATOM 0 HH21 ARG A 431 4.694 -2.070 -8.206 1.00 2.84 H new ATOM 0 HH22 ARG A 431 6.339 -1.709 -7.673 1.00 2.84 H new ATOM 1119 N ILE A 432 1.451 -2.346 0.508 1.00 0.39 N ATOM 1120 CA ILE A 432 0.787 -1.882 1.722 1.00 0.36 C ATOM 1121 C ILE A 432 1.164 -2.726 2.933 1.00 0.38 C ATOM 1122 O ILE A 432 1.262 -3.951 2.850 1.00 0.44 O ATOM 1123 CB ILE A 432 -0.744 -1.888 1.564 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.154 -0.961 0.420 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.415 -1.468 2.865 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.645 -0.919 0.178 1.00 0.46 C ATOM 0 H ILE A 432 0.922 -3.032 -0.030 1.00 0.39 H new ATOM 0 HA ILE A 432 1.128 -0.860 1.885 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.071 -2.900 1.326 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -0.801 0.047 0.637 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.655 -1.284 -0.494 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.497 -1.478 2.736 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.138 -2.163 3.658 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.091 -0.463 3.134 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -2.861 -0.241 -0.648 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.002 -1.919 -0.071 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.150 -0.567 1.078 1.00 0.46 H new ATOM 1138 N SER A 433 1.363 -2.051 4.062 1.00 0.34 N ATOM 1139 CA SER A 433 1.720 -2.713 5.313 1.00 0.38 C ATOM 1140 C SER A 433 1.484 -1.776 6.495 1.00 0.36 C ATOM 1141 O SER A 433 1.775 -0.583 6.419 1.00 0.34 O ATOM 1142 CB SER A 433 3.185 -3.159 5.288 1.00 0.41 C ATOM 1143 OG SER A 433 3.417 -4.107 4.260 1.00 0.53 O ATOM 0 H SER A 433 1.282 -1.037 4.136 1.00 0.34 H new ATOM 0 HA SER A 433 1.088 -3.594 5.425 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.829 -2.292 5.138 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.452 -3.592 6.252 1.00 0.41 H new ATOM 0 HG SER A 433 2.563 -4.368 3.857 1.00 0.53 H new ATOM 1149 N ASP A 434 0.951 -2.323 7.583 1.00 0.43 N ATOM 1150 CA ASP A 434 0.670 -1.534 8.780 1.00 0.48 C ATOM 1151 C ASP A 434 1.950 -1.226 9.557 1.00 0.48 C ATOM 1152 O ASP A 434 1.899 -0.841 10.725 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.326 -2.269 9.678 1.00 0.60 C ATOM 1154 CG ASP A 434 0.225 -3.581 10.200 1.00 0.83 C ATOM 1155 OD1 ASP A 434 0.558 -4.456 9.373 1.00 1.12 O ATOM 1156 OD2 ASP A 434 0.324 -3.734 11.435 1.00 1.35 O ATOM 0 H ASP A 434 0.705 -3.310 7.662 1.00 0.43 H new ATOM 0 HA ASP A 434 0.233 -0.588 8.461 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.593 -1.630 10.520 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.242 -2.460 9.120 1.00 0.60 H new ATOM 1161 N ASN A 435 3.096 -1.396 8.901 1.00 0.43 N ATOM 1162 CA ASN A 435 4.387 -1.133 9.529 1.00 0.47 C ATOM 1163 C ASN A 435 5.395 -0.633 8.500 1.00 0.39 C ATOM 1164 O ASN A 435 5.550 -1.222 7.428 1.00 0.38 O ATOM 1165 CB ASN A 435 4.916 -2.396 10.211 1.00 0.59 C ATOM 1166 CG ASN A 435 4.024 -2.860 11.347 1.00 1.26 C ATOM 1167 OD1 ASN A 435 3.805 -2.132 12.316 1.00 2.16 O ATOM 1168 ND2 ASN A 435 3.503 -4.077 11.234 1.00 1.81 N ATOM 0 H ASN A 435 3.156 -1.715 7.934 1.00 0.43 H new ATOM 0 HA ASN A 435 4.247 -0.358 10.283 1.00 0.47 H new ATOM 0 HB2 ASN A 435 5.004 -3.194 9.473 1.00 0.59 H new ATOM 0 HB3 ASN A 435 5.918 -2.205 10.595 1.00 0.59 H new ATOM 0 HD21 ASN A 435 2.895 -4.442 11.967 1.00 1.81 H new ATOM 0 HD22 ASN A 435 3.711 -4.647 10.414 1.00 1.81 H new ATOM 1175 N ALA A 436 6.069 0.464 8.829 1.00 0.49 N ATOM 1176 CA ALA A 436 7.057 1.062 7.937 1.00 0.55 C ATOM 1177 C ALA A 436 8.307 0.197 7.811 1.00 0.55 C ATOM 1178 O ALA A 436 8.895 0.100 6.734 1.00 0.54 O ATOM 1179 CB ALA A 436 7.426 2.453 8.422 1.00 0.75 C ATOM 0 H ALA A 436 5.948 0.960 9.712 1.00 0.49 H new ATOM 0 HA ALA A 436 6.607 1.133 6.947 1.00 0.55 H new ATOM 0 HB1 ALA A 436 8.164 2.889 7.749 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.535 3.080 8.440 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.844 2.389 9.426 1.00 0.75 H new ATOM 1185 N ASP A 437 8.715 -0.418 8.918 1.00 0.65 N ATOM 1186 CA ASP A 437 9.907 -1.263 8.930 1.00 0.75 C ATOM 1187 C ASP A 437 9.872 -2.284 7.795 1.00 0.71 C ATOM 1188 O ASP A 437 10.888 -2.538 7.147 1.00 0.78 O ATOM 1189 CB ASP A 437 10.032 -1.983 10.275 1.00 0.92 C ATOM 1190 CG ASP A 437 10.131 -1.018 11.439 1.00 1.02 C ATOM 1191 OD1 ASP A 437 11.084 -0.209 11.461 1.00 1.34 O ATOM 1192 OD2 ASP A 437 9.257 -1.069 12.329 1.00 1.34 O ATOM 0 H ASP A 437 8.239 -0.348 9.817 1.00 0.65 H new ATOM 0 HA ASP A 437 10.775 -0.620 8.784 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.169 -2.633 10.418 1.00 0.92 H new ATOM 0 HB3 ASP A 437 10.914 -2.623 10.261 1.00 0.92 H new ATOM 1197 N ASP A 438 8.699 -2.859 7.557 1.00 0.68 N ATOM 1198 CA ASP A 438 8.534 -3.847 6.496 1.00 0.73 C ATOM 1199 C ASP A 438 8.145 -3.177 5.180 1.00 0.73 C ATOM 1200 O ASP A 438 7.189 -3.592 4.524 1.00 1.35 O ATOM 1201 CB ASP A 438 7.477 -4.882 6.892 1.00 0.88 C ATOM 1202 CG ASP A 438 7.852 -5.641 8.148 1.00 1.08 C ATOM 1203 OD1 ASP A 438 8.023 -4.995 9.204 1.00 1.56 O ATOM 1204 OD2 ASP A 438 7.974 -6.882 8.079 1.00 1.36 O ATOM 0 H ASP A 438 7.849 -2.659 8.083 1.00 0.68 H new ATOM 0 HA ASP A 438 9.489 -4.352 6.354 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.522 -4.381 7.046 1.00 0.88 H new ATOM 0 HB3 ASP A 438 7.339 -5.587 6.073 1.00 0.88 H new ATOM 1209 N LEU A 439 8.886 -2.138 4.800 1.00 0.54 N ATOM 1210 CA LEU A 439 8.607 -1.415 3.563 1.00 0.53 C ATOM 1211 C LEU A 439 9.891 -0.913 2.905 1.00 0.61 C ATOM 1212 O LEU A 439 10.435 -1.571 2.019 1.00 0.86 O ATOM 1213 CB LEU A 439 7.660 -0.245 3.837 1.00 0.52 C ATOM 1214 CG LEU A 439 6.235 -0.638 4.230 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.417 0.599 4.560 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.573 -1.432 3.114 1.00 1.10 C ATOM 0 H LEU A 439 9.681 -1.780 5.329 1.00 0.54 H new ATOM 0 HA LEU A 439 8.128 -2.109 2.872 1.00 0.53 H new ATOM 0 HB2 LEU A 439 8.084 0.366 4.634 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.614 0.381 2.946 1.00 0.52 H new ATOM 0 HG LEU A 439 6.283 -1.269 5.118 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.405 0.303 4.838 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.881 1.131 5.391 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.377 1.252 3.688 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.560 -1.703 3.412 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.535 -0.826 2.209 1.00 1.10 H new ATOM 0 HD23 LEU A 439 6.149 -2.337 2.921 1.00 1.10 H new ATOM 1228 N GLY A 440 10.372 0.254 3.334 1.00 0.59 N ATOM 1229 CA GLY A 440 11.584 0.806 2.757 1.00 0.77 C ATOM 1230 C GLY A 440 12.144 1.969 3.554 1.00 0.96 C ATOM 1231 O GLY A 440 12.609 2.953 2.977 1.00 1.36 O ATOM 0 H GLY A 440 9.946 0.822 4.066 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.338 0.022 2.691 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.377 1.136 1.739 1.00 0.77 H new ATOM 1235 N GLY A 441 12.109 1.856 4.878 1.00 0.93 N ATOM 1236 CA GLY A 441 12.627 2.914 5.728 1.00 1.24 C ATOM 1237 C GLY A 441 11.832 4.200 5.619 1.00 1.14 C ATOM 1238 O GLY A 441 11.356 4.554 4.542 1.00 1.83 O ATOM 0 H GLY A 441 11.731 1.051 5.378 1.00 0.93 H new ATOM 0 HA2 GLY A 441 12.622 2.576 6.764 1.00 1.24 H new ATOM 0 HA3 GLY A 441 13.666 3.111 5.462 1.00 1.24 H new ATOM 1242 N ILE A 442 11.696 4.905 6.738 1.00 1.10 N ATOM 1243 CA ILE A 442 10.964 6.165 6.761 1.00 1.03 C ATOM 1244 C ILE A 442 11.594 7.165 5.798 1.00 1.05 C ATOM 1245 O ILE A 442 12.497 7.912 6.176 1.00 1.39 O ATOM 1246 CB ILE A 442 10.938 6.776 8.178 1.00 1.26 C ATOM 1247 CG1 ILE A 442 10.307 5.797 9.173 1.00 1.41 C ATOM 1248 CG2 ILE A 442 10.183 8.099 8.176 1.00 1.38 C ATOM 1249 CD1 ILE A 442 8.859 5.471 8.877 1.00 1.48 C ATOM 0 H ILE A 442 12.083 4.625 7.639 1.00 1.10 H new ATOM 0 HA ILE A 442 9.940 5.952 6.453 1.00 1.03 H new ATOM 0 HB ILE A 442 11.965 6.968 8.489 1.00 1.26 H new ATOM 0 HG12 ILE A 442 10.885 4.873 9.174 1.00 1.41 H new ATOM 0 HG13 ILE A 442 10.377 6.218 10.176 1.00 1.41 H new ATOM 0 HG21 ILE A 442 10.175 8.515 9.184 1.00 1.38 H new ATOM 0 HG22 ILE A 442 10.675 8.798 7.499 1.00 1.38 H new ATOM 0 HG23 ILE A 442 9.158 7.933 7.844 1.00 1.38 H new ATOM 0 HD11 ILE A 442 8.483 4.772 9.625 1.00 1.48 H new ATOM 0 HD12 ILE A 442 8.267 6.386 8.905 1.00 1.48 H new ATOM 0 HD13 ILE A 442 8.783 5.020 7.888 1.00 1.48 H new ATOM 1261 N THR A 443 11.114 7.162 4.552 1.00 1.13 N ATOM 1262 CA THR A 443 11.618 8.057 3.509 1.00 1.36 C ATOM 1263 C THR A 443 13.129 8.213 3.586 1.00 1.47 C ATOM 1264 O THR A 443 13.673 9.311 3.451 1.00 2.20 O ATOM 1265 CB THR A 443 10.948 9.436 3.574 1.00 2.21 C ATOM 1266 OG1 THR A 443 11.408 10.261 2.498 1.00 3.05 O ATOM 1267 CG2 THR A 443 11.220 10.127 4.901 1.00 2.78 C ATOM 0 H THR A 443 10.368 6.541 4.239 1.00 1.13 H new ATOM 0 HA THR A 443 11.366 7.595 2.554 1.00 1.36 H new ATOM 0 HB THR A 443 9.872 9.284 3.484 1.00 2.21 H new ATOM 0 HG1 THR A 443 12.385 10.208 2.440 1.00 3.05 H new ATOM 0 HG21 THR A 443 10.730 11.101 4.911 1.00 2.78 H new ATOM 0 HG22 THR A 443 10.831 9.516 5.716 1.00 2.78 H new ATOM 0 HG23 THR A 443 12.294 10.260 5.029 1.00 2.78 H new ATOM 1275 N VAL A 444 13.793 7.095 3.813 1.00 1.90 N ATOM 1276 CA VAL A 444 15.249 7.071 3.925 1.00 2.70 C ATOM 1277 C VAL A 444 15.920 6.844 2.571 1.00 3.02 C ATOM 1278 O VAL A 444 16.782 5.977 2.425 1.00 3.60 O ATOM 1279 CB VAL A 444 15.721 5.991 4.922 1.00 3.53 C ATOM 1280 CG1 VAL A 444 17.200 6.158 5.239 1.00 4.18 C ATOM 1281 CG2 VAL A 444 14.890 6.035 6.196 1.00 4.02 C ATOM 0 H VAL A 444 13.349 6.184 3.925 1.00 1.90 H new ATOM 0 HA VAL A 444 15.546 8.051 4.298 1.00 2.70 H new ATOM 0 HB VAL A 444 15.581 5.015 4.457 1.00 3.53 H new ATOM 0 HG11 VAL A 444 17.511 5.386 5.943 1.00 4.18 H new ATOM 0 HG12 VAL A 444 17.781 6.067 4.321 1.00 4.18 H new ATOM 0 HG13 VAL A 444 17.369 7.141 5.680 1.00 4.18 H new ATOM 0 HG21 VAL A 444 15.239 5.266 6.885 1.00 4.02 H new ATOM 0 HG22 VAL A 444 14.992 7.014 6.663 1.00 4.02 H new ATOM 0 HG23 VAL A 444 13.842 5.856 5.953 1.00 4.02 H new ATOM 1291 N LEU A 445 15.524 7.638 1.587 1.00 3.13 N ATOM 1292 CA LEU A 445 16.091 7.539 0.248 1.00 3.83 C ATOM 1293 C LEU A 445 16.977 8.745 -0.067 1.00 4.75 C ATOM 1294 O LEU A 445 16.719 9.856 0.396 1.00 4.99 O ATOM 1295 CB LEU A 445 14.993 7.391 -0.815 1.00 3.87 C ATOM 1296 CG LEU A 445 13.626 8.000 -0.477 1.00 3.48 C ATOM 1297 CD1 LEU A 445 12.910 7.173 0.578 1.00 3.82 C ATOM 1298 CD2 LEU A 445 13.760 9.449 -0.030 1.00 3.70 C ATOM 0 H LEU A 445 14.811 8.360 1.690 1.00 3.13 H new ATOM 0 HA LEU A 445 16.710 6.642 0.224 1.00 3.83 H new ATOM 0 HB2 LEU A 445 15.350 7.845 -1.739 1.00 3.87 H new ATOM 0 HB3 LEU A 445 14.853 6.329 -1.015 1.00 3.87 H new ATOM 0 HG LEU A 445 13.025 7.987 -1.386 1.00 3.48 H new ATOM 0 HD11 LEU A 445 11.943 7.625 0.801 1.00 3.82 H new ATOM 0 HD12 LEU A 445 12.760 6.160 0.206 1.00 3.82 H new ATOM 0 HD13 LEU A 445 13.513 7.140 1.486 1.00 3.82 H new ATOM 0 HD21 LEU A 445 12.774 9.851 0.202 1.00 3.70 H new ATOM 0 HD22 LEU A 445 14.390 9.499 0.858 1.00 3.70 H new ATOM 0 HD23 LEU A 445 14.212 10.036 -0.829 1.00 3.70 H new ATOM 1310 N PRO A 446 18.048 8.536 -0.858 1.00 5.56 N ATOM 1311 CA PRO A 446 18.983 9.604 -1.233 1.00 6.59 C ATOM 1312 C PRO A 446 18.278 10.828 -1.812 1.00 7.07 C ATOM 1313 O PRO A 446 17.235 10.711 -2.455 1.00 7.26 O ATOM 1314 CB PRO A 446 19.867 8.947 -2.296 1.00 7.40 C ATOM 1315 CG PRO A 446 19.813 7.493 -1.985 1.00 6.97 C ATOM 1316 CD PRO A 446 18.435 7.236 -1.443 1.00 5.82 C ATOM 0 HA PRO A 446 19.533 9.978 -0.370 1.00 6.59 H new ATOM 0 HB2 PRO A 446 19.497 9.151 -3.301 1.00 7.40 H new ATOM 0 HB3 PRO A 446 20.889 9.324 -2.250 1.00 7.40 H new ATOM 0 HG2 PRO A 446 19.999 6.896 -2.878 1.00 6.97 H new ATOM 0 HG3 PRO A 446 20.576 7.221 -1.256 1.00 6.97 H new ATOM 0 HD2 PRO A 446 17.745 6.928 -2.229 1.00 5.82 H new ATOM 0 HD3 PRO A 446 18.439 6.444 -0.694 1.00 5.82 H new ATOM 1324 N ALA A 447 18.859 12.002 -1.577 1.00 7.52 N ATOM 1325 CA ALA A 447 18.295 13.254 -2.068 1.00 8.19 C ATOM 1326 C ALA A 447 19.368 14.337 -2.158 1.00 8.83 C ATOM 1327 O ALA A 447 20.258 14.407 -1.310 1.00 9.06 O ATOM 1328 CB ALA A 447 17.155 13.710 -1.169 1.00 8.42 C ATOM 0 H ALA A 447 19.724 12.111 -1.047 1.00 7.52 H new ATOM 0 HA ALA A 447 17.903 13.081 -3.070 1.00 8.19 H new ATOM 0 HB1 ALA A 447 16.744 14.646 -1.548 1.00 8.42 H new ATOM 0 HB2 ALA A 447 16.374 12.949 -1.157 1.00 8.42 H new ATOM 0 HB3 ALA A 447 17.529 13.862 -0.156 1.00 8.42 H new ATOM 1334 N PRO A 448 19.307 15.192 -3.198 1.00 9.38 N ATOM 1335 CA PRO A 448 20.287 16.268 -3.402 1.00 10.23 C ATOM 1336 C PRO A 448 20.536 17.093 -2.140 1.00 10.87 C ATOM 1337 O PRO A 448 19.595 17.562 -1.498 1.00 11.06 O ATOM 1338 CB PRO A 448 19.637 17.130 -4.485 1.00 10.80 C ATOM 1339 CG PRO A 448 18.794 16.179 -5.260 1.00 10.31 C ATOM 1340 CD PRO A 448 18.286 15.171 -4.265 1.00 9.48 C ATOM 0 HA PRO A 448 21.267 15.876 -3.673 1.00 10.23 H new ATOM 0 HB2 PRO A 448 19.037 17.929 -4.050 1.00 10.80 H new ATOM 0 HB3 PRO A 448 20.387 17.604 -5.119 1.00 10.80 H new ATOM 0 HG2 PRO A 448 17.968 16.697 -5.747 1.00 10.31 H new ATOM 0 HG3 PRO A 448 19.374 15.694 -6.046 1.00 10.31 H new ATOM 0 HD2 PRO A 448 17.302 15.444 -3.884 1.00 9.48 H new ATOM 0 HD3 PRO A 448 18.191 14.181 -4.710 1.00 9.48 H new ATOM 1348 N PRO A 449 21.818 17.280 -1.769 1.00 11.41 N ATOM 1349 CA PRO A 449 22.200 18.051 -0.581 1.00 12.23 C ATOM 1350 C PRO A 449 22.079 19.557 -0.796 1.00 13.10 C ATOM 1351 O PRO A 449 22.221 20.045 -1.917 1.00 13.50 O ATOM 1352 CB PRO A 449 23.660 17.659 -0.370 1.00 12.72 C ATOM 1353 CG PRO A 449 24.164 17.353 -1.737 1.00 12.39 C ATOM 1354 CD PRO A 449 23.001 16.753 -2.482 1.00 11.49 C ATOM 0 HA PRO A 449 21.554 17.837 0.270 1.00 12.23 H new ATOM 0 HB2 PRO A 449 24.226 18.469 0.090 1.00 12.72 H new ATOM 0 HB3 PRO A 449 23.748 16.795 0.288 1.00 12.72 H new ATOM 0 HG2 PRO A 449 24.521 18.256 -2.233 1.00 12.39 H new ATOM 0 HG3 PRO A 449 25.003 16.658 -1.697 1.00 12.39 H new ATOM 0 HD2 PRO A 449 23.001 17.050 -3.531 1.00 11.49 H new ATOM 0 HD3 PRO A 449 23.030 15.664 -2.459 1.00 11.49 H new ATOM 1362 N LEU A 450 21.822 20.286 0.291 1.00 13.55 N ATOM 1363 CA LEU A 450 21.687 21.741 0.236 1.00 14.50 C ATOM 1364 C LEU A 450 20.465 22.159 -0.575 1.00 14.96 C ATOM 1365 O LEU A 450 20.069 21.482 -1.525 1.00 15.17 O ATOM 1366 CB LEU A 450 22.948 22.389 -0.352 1.00 15.07 C ATOM 1367 CG LEU A 450 24.209 22.310 0.519 1.00 15.25 C ATOM 1368 CD1 LEU A 450 23.953 22.910 1.893 1.00 15.76 C ATOM 1369 CD2 LEU A 450 24.695 20.874 0.643 1.00 15.35 C ATOM 0 H LEU A 450 21.703 19.890 1.223 1.00 13.55 H new ATOM 0 HA LEU A 450 21.556 22.090 1.260 1.00 14.50 H new ATOM 0 HB2 LEU A 450 23.162 21.918 -1.311 1.00 15.07 H new ATOM 0 HB3 LEU A 450 22.734 23.439 -0.553 1.00 15.07 H new ATOM 0 HG LEU A 450 24.992 22.891 0.032 1.00 15.25 H new ATOM 0 HD11 LEU A 450 24.860 22.843 2.494 1.00 15.76 H new ATOM 0 HD12 LEU A 450 23.665 23.956 1.785 1.00 15.76 H new ATOM 0 HD13 LEU A 450 23.150 22.361 2.386 1.00 15.76 H new ATOM 0 HD21 LEU A 450 25.590 20.845 1.265 1.00 15.35 H new ATOM 0 HD22 LEU A 450 23.916 20.264 1.100 1.00 15.35 H new ATOM 0 HD23 LEU A 450 24.929 20.482 -0.347 1.00 15.35 H new ATOM 1381 N ALA A 451 19.869 23.282 -0.186 1.00 15.28 N ATOM 1382 CA ALA A 451 18.690 23.802 -0.867 1.00 15.91 C ATOM 1383 C ALA A 451 18.536 25.300 -0.614 1.00 16.47 C ATOM 1384 O ALA A 451 18.742 25.772 0.505 1.00 16.74 O ATOM 1385 CB ALA A 451 17.445 23.056 -0.413 1.00 16.18 C ATOM 0 H ALA A 451 20.185 23.850 0.600 1.00 15.28 H new ATOM 0 HA ALA A 451 18.817 23.648 -1.939 1.00 15.91 H new ATOM 0 HB1 ALA A 451 16.573 23.455 -0.930 1.00 16.18 H new ATOM 0 HB2 ALA A 451 17.551 21.996 -0.645 1.00 16.18 H new ATOM 0 HB3 ALA A 451 17.318 23.181 0.662 1.00 16.18 H new ATOM 1391 N PRO A 452 18.176 26.072 -1.657 1.00 16.82 N ATOM 1392 CA PRO A 452 18.003 27.524 -1.542 1.00 17.52 C ATOM 1393 C PRO A 452 16.691 27.914 -0.863 1.00 18.21 C ATOM 1394 O PRO A 452 16.020 28.855 -1.287 1.00 18.53 O ATOM 1395 CB PRO A 452 18.011 27.987 -2.999 1.00 17.79 C ATOM 1396 CG PRO A 452 17.474 26.827 -3.765 1.00 17.36 C ATOM 1397 CD PRO A 452 17.918 25.591 -3.028 1.00 16.73 C ATOM 0 HA PRO A 452 18.777 27.979 -0.924 1.00 17.52 H new ATOM 0 HB2 PRO A 452 17.392 28.874 -3.137 1.00 17.79 H new ATOM 0 HB3 PRO A 452 19.018 28.247 -3.327 1.00 17.79 H new ATOM 0 HG2 PRO A 452 16.387 26.873 -3.828 1.00 17.36 H new ATOM 0 HG3 PRO A 452 17.853 26.827 -4.787 1.00 17.36 H new ATOM 0 HD2 PRO A 452 17.149 24.819 -3.043 1.00 16.73 H new ATOM 0 HD3 PRO A 452 18.813 25.158 -3.475 1.00 16.73 H new ATOM 1405 N ASP A 453 16.332 27.191 0.194 1.00 18.57 N ATOM 1406 CA ASP A 453 15.104 27.468 0.932 1.00 19.36 C ATOM 1407 C ASP A 453 15.256 28.741 1.771 1.00 19.52 C ATOM 1408 O ASP A 453 15.813 29.734 1.301 1.00 19.55 O ATOM 1409 CB ASP A 453 14.744 26.270 1.816 1.00 19.71 C ATOM 1410 CG ASP A 453 15.777 26.015 2.898 1.00 20.25 C ATOM 1411 OD1 ASP A 453 16.955 25.784 2.552 1.00 20.55 O ATOM 1412 OD2 ASP A 453 15.407 26.046 4.091 1.00 20.48 O ATOM 0 H ASP A 453 16.875 26.408 0.559 1.00 18.57 H new ATOM 0 HA ASP A 453 14.294 27.630 0.221 1.00 19.36 H new ATOM 0 HB2 ASP A 453 13.773 26.443 2.279 1.00 19.71 H new ATOM 0 HB3 ASP A 453 14.647 25.380 1.194 1.00 19.71 H new ATOM 1417 N GLN A 454 14.764 28.710 3.012 1.00 19.77 N ATOM 1418 CA GLN A 454 14.856 29.861 3.906 1.00 20.09 C ATOM 1419 C GLN A 454 14.196 31.090 3.283 1.00 20.37 C ATOM 1420 O GLN A 454 12.968 31.248 3.449 1.00 20.63 O ATOM 1421 CB GLN A 454 16.321 30.160 4.242 1.00 20.30 C ATOM 1422 CG GLN A 454 16.505 31.313 5.218 1.00 20.53 C ATOM 1423 CD GLN A 454 17.964 31.601 5.533 1.00 20.93 C ATOM 1424 OE1 GLN A 454 18.271 32.504 6.313 1.00 21.22 O ATOM 1425 NE2 GLN A 454 18.875 30.840 4.932 1.00 21.08 N ATOM 1426 OXT GLN A 454 14.911 31.885 2.637 1.00 20.45 O ATOM 0 H GLN A 454 14.298 27.899 3.418 1.00 19.77 H new ATOM 0 HA GLN A 454 14.326 29.618 4.827 1.00 20.09 H new ATOM 0 HB2 GLN A 454 16.778 29.264 4.663 1.00 20.30 H new ATOM 0 HB3 GLN A 454 16.856 30.388 3.320 1.00 20.30 H new ATOM 0 HG2 GLN A 454 16.045 32.210 4.802 1.00 20.53 H new ATOM 0 HG3 GLN A 454 15.978 31.085 6.144 1.00 20.53 H new ATOM 0 HE21 GLN A 454 18.581 30.102 4.292 1.00 21.08 H new ATOM 0 HE22 GLN A 454 19.867 30.995 5.111 1.00 21.08 H new TER 1435 GLN A 454