USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1002 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 2 GLN : amide:sc= -3.63 K(o=-12,f=-10) USER MOD Set 1.2: A 115 ASN : amide:sc= -8.82! C(o=-12!,f=-12!) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -6.77! C(o=-6.8!,f=-5.5!) USER MOD Single : A 11 CYS SG : rot 32:sc= 0.308 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0646 X(o=-0.065,f=-0.065) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 70:sc= 0.174 USER MOD Single : A 44 GLN : amide:sc=-0.00275 X(o=-0.0027,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 49 GLN : amide:sc= 0.0368 K(o=0.037,f=-4.6!) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 68 SER OG : rot 54:sc= 0.46 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 35:sc= 0.6 USER MOD Single : A 81 THR OG1 : rot -160:sc= 0.0337 USER MOD Single : A 89 THR OG1 : rot 120:sc= -1.8 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0876 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 151:sc= -5.41! USER MOD Single : A 97 THR OG1 : rot 33:sc= 0.417 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 174:sc= 0.0839 (180deg=0.0274) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 123 ASN : amide:sc= -0.402 K(o=-0.4,f=-2.7!) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 26.566 2.182 -8.853 0.50 0.00 N ATOM 2 CA ARG A 1 27.419 3.290 -8.332 0.50 0.00 C ATOM 3 C ARG A 1 26.599 4.579 -8.221 0.50 0.00 C ATOM 4 O ARG A 1 26.584 5.395 -9.122 0.50 0.00 O ATOM 5 CB ARG A 1 28.534 3.451 -9.367 0.50 0.00 C ATOM 6 CG ARG A 1 29.803 2.762 -8.862 0.50 0.00 C ATOM 7 CD ARG A 1 30.869 2.784 -9.961 0.50 0.00 C ATOM 8 NE ARG A 1 31.754 1.625 -9.662 0.50 0.00 N ATOM 9 CZ ARG A 1 32.980 1.826 -9.263 0.50 0.00 C ATOM 10 NH1 ARG A 1 33.962 1.770 -10.120 0.50 0.00 N ATOM 11 NH2 ARG A 1 33.224 2.082 -8.007 0.50 0.00 N ATOM 0 H1 ARG A 1 27.132 1.312 -8.924 0.50 0.00 H new ATOM 0 H2 ARG A 1 25.768 2.024 -8.205 0.50 0.00 H new ATOM 0 H3 ARG A 1 26.202 2.437 -9.794 0.50 0.00 H new ATOM 0 HA ARG A 1 27.813 3.077 -7.338 0.50 0.00 H new ATOM 0 HB2 ARG A 1 28.226 3.018 -10.319 0.50 0.00 H new ATOM 0 HB3 ARG A 1 28.728 4.508 -9.546 0.50 0.00 H new ATOM 0 HG2 ARG A 1 30.174 3.268 -7.971 0.50 0.00 H new ATOM 0 HG3 ARG A 1 29.582 1.734 -8.576 0.50 0.00 H new ATOM 0 HD2 ARG A 1 30.419 2.692 -10.949 0.50 0.00 H new ATOM 0 HD3 ARG A 1 31.427 3.720 -9.951 0.50 0.00 H new ATOM 0 HE ARG A 1 31.402 0.674 -9.769 0.50 0.00 H new ATOM 0 HH11 ARG A 1 33.771 1.569 -11.102 0.50 0.00 H new ATOM 0 HH12 ARG A 1 34.920 1.927 -9.808 0.50 0.00 H new ATOM 0 HH21 ARG A 1 32.456 2.125 -7.337 0.50 0.00 H new ATOM 0 HH22 ARG A 1 34.182 2.239 -7.695 0.50 0.00 H new ATOM 27 N GLN A 2 25.918 4.767 -7.122 0.50 0.00 N ATOM 28 CA GLN A 2 25.098 6.001 -6.952 0.50 0.00 C ATOM 29 C GLN A 2 25.086 6.431 -5.479 0.50 0.00 C ATOM 30 O GLN A 2 25.981 6.110 -4.722 0.50 0.00 O ATOM 31 CB GLN A 2 23.692 5.609 -7.417 0.50 0.00 C ATOM 32 CG GLN A 2 23.154 4.486 -6.529 0.50 0.00 C ATOM 33 CD GLN A 2 21.665 4.283 -6.801 0.50 0.00 C ATOM 34 OE1 GLN A 2 21.287 3.746 -7.824 0.50 0.00 O ATOM 35 NE2 GLN A 2 20.794 4.694 -5.920 0.50 0.00 N ATOM 0 H GLN A 2 25.894 4.119 -6.335 0.50 0.00 H new ATOM 0 HA GLN A 2 25.492 6.843 -7.521 0.50 0.00 H new ATOM 0 HB2 GLN A 2 23.029 6.473 -7.371 0.50 0.00 H new ATOM 0 HB3 GLN A 2 23.719 5.283 -8.457 0.50 0.00 H new ATOM 0 HG2 GLN A 2 23.698 3.562 -6.725 0.50 0.00 H new ATOM 0 HG3 GLN A 2 23.311 4.733 -5.479 0.50 0.00 H new ATOM 0 HE21 GLN A 2 21.111 5.145 -5.061 0.50 0.00 H new ATOM 0 HE22 GLN A 2 19.797 4.565 -6.090 0.50 0.00 H new ATOM 44 N GLU A 3 24.076 7.152 -5.071 0.50 0.00 N ATOM 45 CA GLU A 3 23.995 7.603 -3.651 0.50 0.00 C ATOM 46 C GLU A 3 23.236 6.571 -2.810 0.50 0.00 C ATOM 47 O GLU A 3 22.384 5.868 -3.317 0.50 0.00 O ATOM 48 CB GLU A 3 23.228 8.925 -3.699 0.50 0.00 C ATOM 49 CG GLU A 3 24.217 10.087 -3.816 0.50 0.00 C ATOM 50 CD GLU A 3 24.540 10.336 -5.290 0.50 0.00 C ATOM 51 OE1 GLU A 3 25.376 9.623 -5.821 0.50 0.00 O ATOM 52 OE2 GLU A 3 23.947 11.236 -5.863 0.50 0.00 O ATOM 0 H GLU A 3 23.300 7.449 -5.663 0.50 0.00 H new ATOM 0 HA GLU A 3 24.979 7.719 -3.197 0.50 0.00 H new ATOM 0 HB2 GLU A 3 22.544 8.930 -4.547 0.50 0.00 H new ATOM 0 HB3 GLU A 3 22.622 9.039 -2.800 0.50 0.00 H new ATOM 0 HG2 GLU A 3 23.793 10.986 -3.369 0.50 0.00 H new ATOM 0 HG3 GLU A 3 25.130 9.858 -3.266 0.50 0.00 H new ATOM 59 N PRO A 4 23.568 6.511 -1.544 0.50 0.00 N ATOM 60 CA PRO A 4 22.904 5.551 -0.624 0.50 0.00 C ATOM 61 C PRO A 4 21.410 5.876 -0.497 0.50 0.00 C ATOM 62 O PRO A 4 21.035 7.021 -0.346 0.50 0.00 O ATOM 63 CB PRO A 4 23.640 5.755 0.700 0.50 0.00 C ATOM 64 CG PRO A 4 24.206 7.132 0.603 0.50 0.00 C ATOM 65 CD PRO A 4 24.570 7.322 -0.844 0.50 0.00 C ATOM 0 HA PRO A 4 22.951 4.518 -0.968 0.50 0.00 H new ATOM 0 HB2 PRO A 4 22.963 5.663 1.549 0.50 0.00 H new ATOM 0 HB3 PRO A 4 24.425 5.012 0.837 0.50 0.00 H new ATOM 0 HG2 PRO A 4 23.479 7.878 0.925 0.50 0.00 H new ATOM 0 HG3 PRO A 4 25.081 7.242 1.244 0.50 0.00 H new ATOM 0 HD2 PRO A 4 24.519 8.370 -1.139 0.50 0.00 H new ATOM 0 HD3 PRO A 4 25.584 6.981 -1.054 0.50 0.00 H new ATOM 73 N PRO A 5 20.603 4.846 -0.576 0.50 0.00 N ATOM 74 CA PRO A 5 19.130 5.020 -0.484 0.50 0.00 C ATOM 75 C PRO A 5 18.714 5.390 0.942 0.50 0.00 C ATOM 76 O PRO A 5 19.392 5.073 1.897 0.50 0.00 O ATOM 77 CB PRO A 5 18.589 3.644 -0.860 0.50 0.00 C ATOM 78 CG PRO A 5 19.692 2.697 -0.523 0.50 0.00 C ATOM 79 CD PRO A 5 20.977 3.437 -0.754 0.50 0.00 C ATOM 0 HA PRO A 5 18.755 5.819 -1.124 0.50 0.00 H new ATOM 0 HB2 PRO A 5 17.682 3.410 -0.303 0.50 0.00 H new ATOM 0 HB3 PRO A 5 18.334 3.595 -1.919 0.50 0.00 H new ATOM 0 HG2 PRO A 5 19.616 2.366 0.513 0.50 0.00 H new ATOM 0 HG3 PRO A 5 19.641 1.805 -1.147 0.50 0.00 H new ATOM 0 HD2 PRO A 5 21.747 3.134 -0.044 0.50 0.00 H new ATOM 0 HD3 PRO A 5 21.373 3.251 -1.752 0.50 0.00 H new ATOM 87 N LYS A 6 17.597 6.053 1.086 0.50 0.00 N ATOM 88 CA LYS A 6 17.122 6.444 2.445 0.50 0.00 C ATOM 89 C LYS A 6 15.691 6.987 2.372 0.50 0.00 C ATOM 90 O LYS A 6 15.244 7.457 1.343 0.50 0.00 O ATOM 91 CB LYS A 6 18.086 7.539 2.906 0.50 0.00 C ATOM 92 CG LYS A 6 18.933 7.018 4.068 0.50 0.00 C ATOM 93 CD LYS A 6 18.073 6.935 5.331 0.50 0.00 C ATOM 94 CE LYS A 6 18.971 7.023 6.567 0.50 0.00 C ATOM 95 NZ LYS A 6 18.099 7.583 7.637 0.50 0.00 N ATOM 0 H LYS A 6 16.991 6.341 0.318 0.50 0.00 H new ATOM 0 HA LYS A 6 17.107 5.599 3.133 0.50 0.00 H new ATOM 0 HB2 LYS A 6 18.730 7.843 2.080 0.50 0.00 H new ATOM 0 HB3 LYS A 6 17.528 8.422 3.216 0.50 0.00 H new ATOM 0 HG2 LYS A 6 19.337 6.035 3.825 0.50 0.00 H new ATOM 0 HG3 LYS A 6 19.783 7.679 4.237 0.50 0.00 H new ATOM 0 HD2 LYS A 6 17.343 7.744 5.340 0.50 0.00 H new ATOM 0 HD3 LYS A 6 17.513 6.000 5.341 0.50 0.00 H new ATOM 0 HE2 LYS A 6 19.357 6.042 6.845 0.50 0.00 H new ATOM 0 HE3 LYS A 6 19.833 7.665 6.384 0.50 0.00 H new ATOM 0 HZ1 LYS A 6 18.645 7.673 8.518 0.50 0.00 H new ATOM 0 HZ2 LYS A 6 17.752 8.520 7.347 0.50 0.00 H new ATOM 0 HZ3 LYS A 6 17.291 6.948 7.794 0.50 0.00 H new ATOM 109 N ILE A 7 14.974 6.924 3.461 0.50 0.00 N ATOM 110 CA ILE A 7 13.572 7.432 3.474 0.50 0.00 C ATOM 111 C ILE A 7 13.546 8.952 3.701 0.50 0.00 C ATOM 112 O ILE A 7 12.498 9.543 3.867 0.50 0.00 O ATOM 113 CB ILE A 7 12.896 6.692 4.636 0.50 0.00 C ATOM 114 CG1 ILE A 7 13.087 5.180 4.465 0.50 0.00 C ATOM 115 CG2 ILE A 7 11.399 7.007 4.653 0.50 0.00 C ATOM 116 CD1 ILE A 7 12.599 4.749 3.076 0.50 0.00 C ATOM 0 H ILE A 7 15.301 6.540 4.348 0.50 0.00 H new ATOM 0 HA ILE A 7 13.062 7.257 2.527 0.50 0.00 H new ATOM 0 HB ILE A 7 13.348 7.017 5.573 0.50 0.00 H new ATOM 0 HG12 ILE A 7 14.139 4.921 4.588 0.50 0.00 H new ATOM 0 HG13 ILE A 7 12.534 4.645 5.237 0.50 0.00 H new ATOM 0 HG21 ILE A 7 10.925 6.478 5.480 0.50 0.00 H new ATOM 0 HG22 ILE A 7 11.254 8.080 4.778 0.50 0.00 H new ATOM 0 HG23 ILE A 7 10.949 6.687 3.713 0.50 0.00 H new ATOM 0 HD11 ILE A 7 12.737 3.674 2.959 0.50 0.00 H new ATOM 0 HD12 ILE A 7 11.542 4.993 2.970 0.50 0.00 H new ATOM 0 HD13 ILE A 7 13.171 5.273 2.311 0.50 0.00 H new ATOM 128 N HIS A 8 14.688 9.592 3.702 0.50 0.00 N ATOM 129 CA HIS A 8 14.714 11.071 3.910 0.50 0.00 C ATOM 130 C HIS A 8 14.882 11.786 2.564 0.50 0.00 C ATOM 131 O HIS A 8 15.055 11.158 1.537 0.50 0.00 O ATOM 132 CB HIS A 8 15.905 11.336 4.844 0.50 0.00 C ATOM 133 CG HIS A 8 17.209 11.108 4.122 0.50 0.00 C ATOM 134 ND1 HIS A 8 18.139 10.176 4.554 0.50 0.00 N ATOM 135 CD2 HIS A 8 17.755 11.693 3.007 0.50 0.00 C ATOM 136 CE1 HIS A 8 19.187 10.228 3.711 0.50 0.00 C ATOM 137 NE2 HIS A 8 19.004 11.135 2.749 0.50 0.00 N ATOM 0 H HIS A 8 15.600 9.156 3.568 0.50 0.00 H new ATOM 0 HA HIS A 8 13.788 11.446 4.347 0.50 0.00 H new ATOM 0 HB2 HIS A 8 15.863 12.360 5.214 0.50 0.00 H new ATOM 0 HB3 HIS A 8 15.845 10.681 5.713 0.50 0.00 H new ATOM 0 HD2 HIS A 8 17.287 12.469 2.419 0.50 0.00 H new ATOM 0 HE1 HIS A 8 20.069 9.611 3.802 0.50 0.00 H new ATOM 0 HE2 HIS A 8 19.642 11.369 1.988 0.50 0.00 H new ATOM 145 N LEU A 9 14.827 13.092 2.559 0.50 0.00 N ATOM 146 CA LEU A 9 14.977 13.837 1.268 0.50 0.00 C ATOM 147 C LEU A 9 16.238 14.723 1.288 0.50 0.00 C ATOM 148 O LEU A 9 17.338 14.235 1.115 0.50 0.00 O ATOM 149 CB LEU A 9 13.692 14.676 1.081 0.50 0.00 C ATOM 150 CG LEU A 9 12.954 14.891 2.410 0.50 0.00 C ATOM 151 CD1 LEU A 9 13.779 15.800 3.317 0.50 0.00 C ATOM 152 CD2 LEU A 9 11.600 15.548 2.134 0.50 0.00 C ATOM 0 H LEU A 9 14.686 13.674 3.385 0.50 0.00 H new ATOM 0 HA LEU A 9 15.103 13.149 0.432 0.50 0.00 H new ATOM 0 HB2 LEU A 9 13.949 15.642 0.647 0.50 0.00 H new ATOM 0 HB3 LEU A 9 13.030 14.175 0.374 0.50 0.00 H new ATOM 0 HG LEU A 9 12.806 13.929 2.901 0.50 0.00 H new ATOM 0 HD11 LEU A 9 13.251 15.950 4.259 0.50 0.00 H new ATOM 0 HD12 LEU A 9 14.747 15.338 3.513 0.50 0.00 H new ATOM 0 HD13 LEU A 9 13.929 16.763 2.828 0.50 0.00 H new ATOM 0 HD21 LEU A 9 11.072 15.703 3.075 0.50 0.00 H new ATOM 0 HD22 LEU A 9 11.755 16.509 1.643 0.50 0.00 H new ATOM 0 HD23 LEU A 9 11.007 14.901 1.487 0.50 0.00 H new ATOM 164 N ASP A 10 16.102 16.015 1.473 0.50 0.00 N ATOM 165 CA ASP A 10 17.307 16.895 1.474 0.50 0.00 C ATOM 166 C ASP A 10 17.710 17.274 2.902 0.50 0.00 C ATOM 167 O ASP A 10 18.856 17.586 3.163 0.50 0.00 O ATOM 168 CB ASP A 10 16.886 18.138 0.691 0.50 0.00 C ATOM 169 CG ASP A 10 17.173 17.927 -0.797 0.50 0.00 C ATOM 170 OD1 ASP A 10 18.337 17.950 -1.163 0.50 0.00 O ATOM 171 OD2 ASP A 10 16.226 17.746 -1.543 0.50 0.00 O ATOM 0 H ASP A 10 15.213 16.493 1.622 0.50 0.00 H new ATOM 0 HA ASP A 10 18.171 16.399 1.032 0.50 0.00 H new ATOM 0 HB2 ASP A 10 15.825 18.334 0.843 0.50 0.00 H new ATOM 0 HB3 ASP A 10 17.427 19.011 1.056 0.50 0.00 H new ATOM 176 N CYS A 11 16.788 17.258 3.829 0.50 0.00 N ATOM 177 CA CYS A 11 17.151 17.629 5.231 0.50 0.00 C ATOM 178 C CYS A 11 16.319 16.842 6.261 0.50 0.00 C ATOM 179 O CYS A 11 16.862 16.019 6.971 0.50 0.00 O ATOM 180 CB CYS A 11 16.882 19.133 5.332 0.50 0.00 C ATOM 181 SG CYS A 11 18.414 20.047 5.014 0.50 0.00 S ATOM 0 H CYS A 11 15.811 17.007 3.680 0.50 0.00 H new ATOM 0 HA CYS A 11 18.191 17.387 5.451 0.50 0.00 H new ATOM 0 HB2 CYS A 11 16.117 19.425 4.613 0.50 0.00 H new ATOM 0 HB3 CYS A 11 16.499 19.379 6.323 0.50 0.00 H new ATOM 0 HG CYS A 11 19.142 19.390 4.161 0.50 0.00 H new ATOM 187 N PRO A 12 15.032 17.111 6.332 0.50 0.00 N ATOM 188 CA PRO A 12 14.177 16.396 7.314 0.50 0.00 C ATOM 189 C PRO A 12 14.004 14.922 6.912 0.50 0.00 C ATOM 190 O PRO A 12 14.815 14.085 7.258 0.50 0.00 O ATOM 191 CB PRO A 12 12.854 17.160 7.267 0.50 0.00 C ATOM 192 CG PRO A 12 12.826 17.804 5.919 0.50 0.00 C ATOM 193 CD PRO A 12 14.258 18.075 5.533 0.50 0.00 C ATOM 0 HA PRO A 12 14.601 16.372 8.318 0.50 0.00 H new ATOM 0 HB2 PRO A 12 12.006 16.489 7.401 0.50 0.00 H new ATOM 0 HB3 PRO A 12 12.800 17.905 8.061 0.50 0.00 H new ATOM 0 HG2 PRO A 12 12.346 17.152 5.189 0.50 0.00 H new ATOM 0 HG3 PRO A 12 12.251 18.730 5.945 0.50 0.00 H new ATOM 0 HD2 PRO A 12 14.418 17.927 4.465 0.50 0.00 H new ATOM 0 HD3 PRO A 12 14.545 19.102 5.759 0.50 0.00 H new ATOM 201 N GLY A 13 12.967 14.593 6.185 0.50 0.00 N ATOM 202 CA GLY A 13 12.767 13.173 5.772 0.50 0.00 C ATOM 203 C GLY A 13 11.499 12.621 6.425 0.50 0.00 C ATOM 204 O GLY A 13 11.510 11.565 7.025 0.50 0.00 O ATOM 0 H GLY A 13 12.253 15.245 5.861 0.50 0.00 H new ATOM 0 HA2 GLY A 13 12.687 13.107 4.687 0.50 0.00 H new ATOM 0 HA3 GLY A 13 13.629 12.574 6.065 0.50 0.00 H new ATOM 208 N ARG A 14 10.406 13.327 6.311 0.50 0.00 N ATOM 209 CA ARG A 14 9.137 12.842 6.927 0.50 0.00 C ATOM 210 C ARG A 14 8.179 12.330 5.846 0.50 0.00 C ATOM 211 O ARG A 14 7.345 13.059 5.348 0.50 0.00 O ATOM 212 CB ARG A 14 8.546 14.065 7.630 0.50 0.00 C ATOM 213 CG ARG A 14 8.961 14.057 9.102 0.50 0.00 C ATOM 214 CD ARG A 14 8.636 15.414 9.732 0.50 0.00 C ATOM 215 NE ARG A 14 9.772 15.689 10.654 0.50 0.00 N ATOM 216 CZ ARG A 14 9.571 15.735 11.943 0.50 0.00 C ATOM 217 NH1 ARG A 14 9.701 16.864 12.584 0.50 0.00 N ATOM 218 NH2 ARG A 14 9.241 14.650 12.590 0.50 0.00 N ATOM 0 H ARG A 14 10.337 14.218 5.819 0.50 0.00 H new ATOM 0 HA ARG A 14 9.305 12.015 7.616 0.50 0.00 H new ATOM 0 HB2 ARG A 14 8.894 14.978 7.148 0.50 0.00 H new ATOM 0 HB3 ARG A 14 7.459 14.055 7.547 0.50 0.00 H new ATOM 0 HG2 ARG A 14 8.438 13.263 9.634 0.50 0.00 H new ATOM 0 HG3 ARG A 14 10.028 13.850 9.189 0.50 0.00 H new ATOM 0 HD2 ARG A 14 8.546 16.191 8.973 0.50 0.00 H new ATOM 0 HD3 ARG A 14 7.689 15.383 10.270 0.50 0.00 H new ATOM 0 HE ARG A 14 10.708 15.842 10.278 0.50 0.00 H new ATOM 0 HH11 ARG A 14 9.960 17.711 12.078 0.50 0.00 H new ATOM 0 HH12 ARG A 14 9.544 16.900 13.591 0.50 0.00 H new ATOM 0 HH21 ARG A 14 9.141 13.768 12.088 0.50 0.00 H new ATOM 0 HH22 ARG A 14 9.084 14.685 13.597 0.50 0.00 H new ATOM 232 N ILE A 15 8.293 11.079 5.485 0.50 0.00 N ATOM 233 CA ILE A 15 7.387 10.516 4.440 0.50 0.00 C ATOM 234 C ILE A 15 6.028 10.167 5.067 0.50 0.00 C ATOM 235 O ILE A 15 5.941 9.272 5.883 0.50 0.00 O ATOM 236 CB ILE A 15 8.106 9.257 3.930 0.50 0.00 C ATOM 237 CG1 ILE A 15 9.086 9.659 2.825 0.50 0.00 C ATOM 238 CG2 ILE A 15 7.093 8.249 3.367 0.50 0.00 C ATOM 239 CD1 ILE A 15 9.882 8.435 2.362 0.50 0.00 C ATOM 0 H ILE A 15 8.974 10.423 5.868 0.50 0.00 H new ATOM 0 HA ILE A 15 7.188 11.216 3.628 0.50 0.00 H new ATOM 0 HB ILE A 15 8.639 8.791 4.759 0.50 0.00 H new ATOM 0 HG12 ILE A 15 8.542 10.089 1.984 0.50 0.00 H new ATOM 0 HG13 ILE A 15 9.766 10.428 3.192 0.50 0.00 H new ATOM 0 HG21 ILE A 15 7.620 7.364 3.011 0.50 0.00 H new ATOM 0 HG22 ILE A 15 6.391 7.963 4.150 0.50 0.00 H new ATOM 0 HG23 ILE A 15 6.548 8.704 2.540 0.50 0.00 H new ATOM 0 HD11 ILE A 15 10.577 8.729 1.576 0.50 0.00 H new ATOM 0 HD12 ILE A 15 10.439 8.024 3.204 0.50 0.00 H new ATOM 0 HD13 ILE A 15 9.197 7.680 1.977 0.50 0.00 H new ATOM 251 N PRO A 16 5.006 10.882 4.663 0.50 0.00 N ATOM 252 CA PRO A 16 3.647 10.625 5.201 0.50 0.00 C ATOM 253 C PRO A 16 3.098 9.306 4.651 0.50 0.00 C ATOM 254 O PRO A 16 2.082 9.276 3.985 0.50 0.00 O ATOM 255 CB PRO A 16 2.828 11.810 4.694 0.50 0.00 C ATOM 256 CG PRO A 16 3.550 12.281 3.473 0.50 0.00 C ATOM 257 CD PRO A 16 5.010 11.980 3.686 0.50 0.00 C ATOM 0 HA PRO A 16 3.626 10.535 6.287 0.50 0.00 H new ATOM 0 HB2 PRO A 16 1.806 11.512 4.459 0.50 0.00 H new ATOM 0 HB3 PRO A 16 2.766 12.598 5.445 0.50 0.00 H new ATOM 0 HG2 PRO A 16 3.177 11.773 2.584 0.50 0.00 H new ATOM 0 HG3 PRO A 16 3.394 13.349 3.320 0.50 0.00 H new ATOM 0 HD2 PRO A 16 5.497 11.686 2.756 0.50 0.00 H new ATOM 0 HD3 PRO A 16 5.546 12.850 4.065 0.50 0.00 H new ATOM 265 N ASP A 17 3.768 8.216 4.920 0.50 0.00 N ATOM 266 CA ASP A 17 3.294 6.893 4.411 0.50 0.00 C ATOM 267 C ASP A 17 1.922 6.545 5.001 0.50 0.00 C ATOM 268 O ASP A 17 1.812 5.772 5.931 0.50 0.00 O ATOM 269 CB ASP A 17 4.348 5.882 4.876 0.50 0.00 C ATOM 270 CG ASP A 17 4.660 6.095 6.363 0.50 0.00 C ATOM 271 OD1 ASP A 17 3.784 6.557 7.074 0.50 0.00 O ATOM 272 OD2 ASP A 17 5.772 5.798 6.762 0.50 0.00 O ATOM 0 H ASP A 17 4.625 8.184 5.472 0.50 0.00 H new ATOM 0 HA ASP A 17 3.178 6.894 3.327 0.50 0.00 H new ATOM 0 HB2 ASP A 17 3.986 4.867 4.714 0.50 0.00 H new ATOM 0 HB3 ASP A 17 5.257 5.995 4.285 0.50 0.00 H new ATOM 277 N THR A 18 0.877 7.104 4.461 0.50 0.00 N ATOM 278 CA THR A 18 -0.490 6.800 4.978 0.50 0.00 C ATOM 279 C THR A 18 -1.480 6.697 3.816 0.50 0.00 C ATOM 280 O THR A 18 -2.097 7.671 3.431 0.50 0.00 O ATOM 281 CB THR A 18 -0.845 7.980 5.885 0.50 0.00 C ATOM 282 OG1 THR A 18 -2.195 7.858 6.311 0.50 0.00 O ATOM 283 CG2 THR A 18 -0.667 9.289 5.116 0.50 0.00 C ATOM 0 H THR A 18 0.908 7.761 3.681 0.50 0.00 H new ATOM 0 HA THR A 18 -0.528 5.852 5.514 0.50 0.00 H new ATOM 0 HB THR A 18 -0.188 7.981 6.755 0.50 0.00 H new ATOM 0 HG1 THR A 18 -2.424 8.612 6.893 0.50 0.00 H new ATOM 0 HG21 THR A 18 -0.920 10.129 5.763 0.50 0.00 H new ATOM 0 HG22 THR A 18 0.369 9.382 4.790 0.50 0.00 H new ATOM 0 HG23 THR A 18 -1.323 9.292 4.245 0.50 0.00 H new ATOM 291 N ILE A 19 -1.638 5.531 3.250 0.50 0.00 N ATOM 292 CA ILE A 19 -2.590 5.388 2.110 0.50 0.00 C ATOM 293 C ILE A 19 -4.019 5.202 2.632 0.50 0.00 C ATOM 294 O ILE A 19 -4.312 4.268 3.351 0.50 0.00 O ATOM 295 CB ILE A 19 -2.118 4.150 1.338 0.50 0.00 C ATOM 296 CG1 ILE A 19 -2.924 4.028 0.044 0.50 0.00 C ATOM 297 CG2 ILE A 19 -2.321 2.889 2.184 0.50 0.00 C ATOM 298 CD1 ILE A 19 -2.590 5.202 -0.883 0.50 0.00 C ATOM 0 H ILE A 19 -1.153 4.677 3.525 0.50 0.00 H new ATOM 0 HA ILE A 19 -2.604 6.272 1.472 0.50 0.00 H new ATOM 0 HB ILE A 19 -1.058 4.255 1.108 0.50 0.00 H new ATOM 0 HG12 ILE A 19 -2.695 3.084 -0.451 0.50 0.00 H new ATOM 0 HG13 ILE A 19 -3.991 4.020 0.268 0.50 0.00 H new ATOM 0 HG21 ILE A 19 -1.982 2.017 1.625 0.50 0.00 H new ATOM 0 HG22 ILE A 19 -1.747 2.974 3.107 0.50 0.00 H new ATOM 0 HG23 ILE A 19 -3.379 2.778 2.423 0.50 0.00 H new ATOM 0 HD11 ILE A 19 -3.165 5.113 -1.804 0.50 0.00 H new ATOM 0 HD12 ILE A 19 -2.841 6.140 -0.387 0.50 0.00 H new ATOM 0 HD13 ILE A 19 -1.526 5.189 -1.117 0.50 0.00 H new ATOM 310 N VAL A 20 -4.910 6.087 2.277 0.50 0.00 N ATOM 311 CA VAL A 20 -6.315 5.963 2.756 0.50 0.00 C ATOM 312 C VAL A 20 -7.281 5.955 1.569 0.50 0.00 C ATOM 313 O VAL A 20 -7.153 6.735 0.647 0.50 0.00 O ATOM 314 CB VAL A 20 -6.549 7.196 3.628 0.50 0.00 C ATOM 315 CG1 VAL A 20 -7.947 7.128 4.236 0.50 0.00 C ATOM 316 CG2 VAL A 20 -5.508 7.236 4.751 0.50 0.00 C ATOM 0 H VAL A 20 -4.725 6.890 1.676 0.50 0.00 H new ATOM 0 HA VAL A 20 -6.481 5.037 3.307 0.50 0.00 H new ATOM 0 HB VAL A 20 -6.458 8.094 3.017 0.50 0.00 H new ATOM 0 HG11 VAL A 20 -8.116 8.007 4.859 0.50 0.00 H new ATOM 0 HG12 VAL A 20 -8.690 7.100 3.439 0.50 0.00 H new ATOM 0 HG13 VAL A 20 -8.035 6.229 4.846 0.50 0.00 H new ATOM 0 HG21 VAL A 20 -5.676 8.116 5.372 0.50 0.00 H new ATOM 0 HG22 VAL A 20 -5.598 6.338 5.362 0.50 0.00 H new ATOM 0 HG23 VAL A 20 -4.508 7.283 4.319 0.50 0.00 H new ATOM 326 N VAL A 21 -8.249 5.079 1.591 0.50 0.00 N ATOM 327 CA VAL A 21 -9.229 5.016 0.469 0.50 0.00 C ATOM 328 C VAL A 21 -10.655 5.037 1.020 0.50 0.00 C ATOM 329 O VAL A 21 -10.911 4.586 2.117 0.50 0.00 O ATOM 330 CB VAL A 21 -8.947 3.686 -0.235 0.50 0.00 C ATOM 331 CG1 VAL A 21 -8.988 2.543 0.782 0.50 0.00 C ATOM 332 CG2 VAL A 21 -10.002 3.440 -1.317 0.50 0.00 C ATOM 0 H VAL A 21 -8.404 4.403 2.339 0.50 0.00 H new ATOM 0 HA VAL A 21 -9.134 5.862 -0.211 0.50 0.00 H new ATOM 0 HB VAL A 21 -7.959 3.729 -0.693 0.50 0.00 H new ATOM 0 HG11 VAL A 21 -8.787 1.599 0.276 0.50 0.00 H new ATOM 0 HG12 VAL A 21 -8.233 2.712 1.550 0.50 0.00 H new ATOM 0 HG13 VAL A 21 -9.974 2.504 1.245 0.50 0.00 H new ATOM 0 HG21 VAL A 21 -9.798 2.493 -1.816 0.50 0.00 H new ATOM 0 HG22 VAL A 21 -10.991 3.404 -0.860 0.50 0.00 H new ATOM 0 HG23 VAL A 21 -9.970 4.249 -2.047 0.50 0.00 H new ATOM 342 N VAL A 22 -11.584 5.549 0.262 0.50 0.00 N ATOM 343 CA VAL A 22 -12.997 5.589 0.740 0.50 0.00 C ATOM 344 C VAL A 22 -13.726 4.321 0.288 0.50 0.00 C ATOM 345 O VAL A 22 -14.755 4.375 -0.355 0.50 0.00 O ATOM 346 CB VAL A 22 -13.609 6.835 0.099 0.50 0.00 C ATOM 347 CG1 VAL A 22 -15.075 6.962 0.520 0.50 0.00 C ATOM 348 CG2 VAL A 22 -12.840 8.075 0.560 0.50 0.00 C ATOM 0 H VAL A 22 -11.428 5.941 -0.667 0.50 0.00 H new ATOM 0 HA VAL A 22 -13.071 5.631 1.827 0.50 0.00 H new ATOM 0 HB VAL A 22 -13.549 6.750 -0.986 0.50 0.00 H new ATOM 0 HG11 VAL A 22 -15.509 7.851 0.062 0.50 0.00 H new ATOM 0 HG12 VAL A 22 -15.625 6.080 0.193 0.50 0.00 H new ATOM 0 HG13 VAL A 22 -15.136 7.046 1.605 0.50 0.00 H new ATOM 0 HG21 VAL A 22 -13.276 8.964 0.104 0.50 0.00 H new ATOM 0 HG22 VAL A 22 -12.900 8.158 1.645 0.50 0.00 H new ATOM 0 HG23 VAL A 22 -11.796 7.988 0.260 0.50 0.00 H new ATOM 358 N ALA A 23 -13.189 3.180 0.632 0.50 0.00 N ATOM 359 CA ALA A 23 -13.821 1.882 0.246 0.50 0.00 C ATOM 360 C ALA A 23 -14.229 1.876 -1.234 0.50 0.00 C ATOM 361 O ALA A 23 -15.380 2.074 -1.570 0.50 0.00 O ATOM 362 CB ALA A 23 -15.049 1.761 1.145 0.50 0.00 C ATOM 0 H ALA A 23 -12.328 3.091 1.171 0.50 0.00 H new ATOM 0 HA ALA A 23 -13.132 1.046 0.370 0.50 0.00 H new ATOM 0 HB1 ALA A 23 -15.572 0.830 0.924 0.50 0.00 H new ATOM 0 HB2 ALA A 23 -14.737 1.763 2.189 0.50 0.00 H new ATOM 0 HB3 ALA A 23 -15.716 2.604 0.965 0.50 0.00 H new ATOM 368 N GLY A 24 -13.295 1.636 -2.118 0.50 0.00 N ATOM 369 CA GLY A 24 -13.628 1.597 -3.574 0.50 0.00 C ATOM 370 C GLY A 24 -13.702 3.018 -4.140 0.50 0.00 C ATOM 371 O GLY A 24 -14.672 3.389 -4.774 0.50 0.00 O ATOM 0 H GLY A 24 -12.315 1.465 -1.894 0.50 0.00 H new ATOM 0 HA2 GLY A 24 -12.873 1.023 -4.111 0.50 0.00 H new ATOM 0 HA3 GLY A 24 -14.581 1.089 -3.723 0.50 0.00 H new ATOM 375 N ASN A 25 -12.689 3.816 -3.925 0.50 0.00 N ATOM 376 CA ASN A 25 -12.714 5.210 -4.463 0.50 0.00 C ATOM 377 C ASN A 25 -11.335 5.606 -5.002 0.50 0.00 C ATOM 378 O ASN A 25 -10.355 4.919 -4.793 0.50 0.00 O ATOM 379 CB ASN A 25 -13.097 6.085 -3.269 0.50 0.00 C ATOM 380 CG ASN A 25 -14.423 6.793 -3.556 0.50 0.00 C ATOM 381 OD1 ASN A 25 -15.480 6.220 -3.388 0.50 0.00 O ATOM 382 ND2 ASN A 25 -14.411 8.025 -3.987 0.50 0.00 N ATOM 0 H ASN A 25 -11.849 3.565 -3.403 0.50 0.00 H new ATOM 0 HA ASN A 25 -13.414 5.317 -5.292 0.50 0.00 H new ATOM 0 HB2 ASN A 25 -13.186 5.474 -2.371 0.50 0.00 H new ATOM 0 HB3 ASN A 25 -12.315 6.820 -3.078 0.50 0.00 H new ATOM 0 HD21 ASN A 25 -15.289 8.506 -4.182 0.50 0.00 H new ATOM 0 HD22 ASN A 25 -13.523 8.507 -4.128 0.50 0.00 H new ATOM 389 N LYS A 26 -11.256 6.718 -5.687 0.50 0.00 N ATOM 390 CA LYS A 26 -9.944 7.173 -6.237 0.50 0.00 C ATOM 391 C LYS A 26 -9.055 7.688 -5.102 0.50 0.00 C ATOM 392 O LYS A 26 -9.438 8.566 -4.355 0.50 0.00 O ATOM 393 CB LYS A 26 -10.288 8.308 -7.203 0.50 0.00 C ATOM 394 CG LYS A 26 -10.372 7.759 -8.628 0.50 0.00 C ATOM 395 CD LYS A 26 -10.572 8.917 -9.610 0.50 0.00 C ATOM 396 CE LYS A 26 -9.833 8.615 -10.916 0.50 0.00 C ATOM 397 NZ LYS A 26 -8.579 9.416 -10.844 0.50 0.00 N ATOM 0 H LYS A 26 -12.045 7.332 -5.889 0.50 0.00 H new ATOM 0 HA LYS A 26 -9.401 6.369 -6.734 0.50 0.00 H new ATOM 0 HB2 LYS A 26 -11.237 8.764 -6.921 0.50 0.00 H new ATOM 0 HB3 LYS A 26 -9.530 9.089 -7.147 0.50 0.00 H new ATOM 0 HG2 LYS A 26 -9.461 7.213 -8.873 0.50 0.00 H new ATOM 0 HG3 LYS A 26 -11.198 7.053 -8.709 0.50 0.00 H new ATOM 0 HD2 LYS A 26 -11.634 9.061 -9.806 0.50 0.00 H new ATOM 0 HD3 LYS A 26 -10.199 9.844 -9.175 0.50 0.00 H new ATOM 0 HE2 LYS A 26 -9.617 7.551 -11.010 0.50 0.00 H new ATOM 0 HE3 LYS A 26 -10.432 8.896 -11.782 0.50 0.00 H new ATOM 0 HZ1 LYS A 26 -8.018 9.261 -11.706 0.50 0.00 H new ATOM 0 HZ2 LYS A 26 -8.816 10.425 -10.762 0.50 0.00 H new ATOM 0 HZ3 LYS A 26 -8.026 9.122 -10.014 0.50 0.00 H new ATOM 411 N LEU A 27 -7.874 7.145 -4.960 0.50 0.00 N ATOM 412 CA LEU A 27 -6.973 7.605 -3.864 0.50 0.00 C ATOM 413 C LEU A 27 -5.578 7.932 -4.415 0.50 0.00 C ATOM 414 O LEU A 27 -5.071 7.260 -5.291 0.50 0.00 O ATOM 415 CB LEU A 27 -6.927 6.422 -2.882 0.50 0.00 C ATOM 416 CG LEU A 27 -5.590 6.388 -2.127 0.50 0.00 C ATOM 417 CD1 LEU A 27 -5.352 7.727 -1.423 0.50 0.00 C ATOM 418 CD2 LEU A 27 -5.628 5.269 -1.086 0.50 0.00 C ATOM 0 H LEU A 27 -7.496 6.406 -5.553 0.50 0.00 H new ATOM 0 HA LEU A 27 -7.326 8.517 -3.383 0.50 0.00 H new ATOM 0 HB2 LEU A 27 -7.749 6.503 -2.171 0.50 0.00 H new ATOM 0 HB3 LEU A 27 -7.066 5.487 -3.425 0.50 0.00 H new ATOM 0 HG LEU A 27 -4.782 6.208 -2.836 0.50 0.00 H new ATOM 0 HD11 LEU A 27 -4.402 7.694 -0.890 0.50 0.00 H new ATOM 0 HD12 LEU A 27 -5.326 8.527 -2.163 0.50 0.00 H new ATOM 0 HD13 LEU A 27 -6.159 7.914 -0.715 0.50 0.00 H new ATOM 0 HD21 LEU A 27 -4.681 5.241 -0.547 0.50 0.00 H new ATOM 0 HD22 LEU A 27 -6.440 5.454 -0.383 0.50 0.00 H new ATOM 0 HD23 LEU A 27 -5.790 4.313 -1.585 0.50 0.00 H new ATOM 430 N ARG A 28 -4.957 8.957 -3.891 0.50 0.00 N ATOM 431 CA ARG A 28 -3.591 9.336 -4.359 0.50 0.00 C ATOM 432 C ARG A 28 -2.653 9.469 -3.153 0.50 0.00 C ATOM 433 O ARG A 28 -3.041 9.951 -2.108 0.50 0.00 O ATOM 434 CB ARG A 28 -3.769 10.686 -5.053 0.50 0.00 C ATOM 435 CG ARG A 28 -4.261 10.466 -6.486 0.50 0.00 C ATOM 436 CD ARG A 28 -5.281 11.548 -6.849 0.50 0.00 C ATOM 437 NE ARG A 28 -4.533 12.832 -6.754 0.50 0.00 N ATOM 438 CZ ARG A 28 -4.901 13.740 -5.891 0.50 0.00 C ATOM 439 NH1 ARG A 28 -6.129 14.183 -5.894 0.50 0.00 N ATOM 440 NH2 ARG A 28 -4.042 14.205 -5.025 0.50 0.00 N ATOM 0 H ARG A 28 -5.340 9.551 -3.155 0.50 0.00 H new ATOM 0 HA ARG A 28 -3.156 8.594 -5.028 0.50 0.00 H new ATOM 0 HB2 ARG A 28 -4.484 11.298 -4.502 0.50 0.00 H new ATOM 0 HB3 ARG A 28 -2.824 11.229 -5.062 0.50 0.00 H new ATOM 0 HG2 ARG A 28 -3.420 10.497 -7.179 0.50 0.00 H new ATOM 0 HG3 ARG A 28 -4.714 9.479 -6.578 0.50 0.00 H new ATOM 0 HD2 ARG A 28 -5.677 11.396 -7.853 0.50 0.00 H new ATOM 0 HD3 ARG A 28 -6.130 11.535 -6.166 0.50 0.00 H new ATOM 0 HE ARG A 28 -3.733 13.002 -7.363 0.50 0.00 H new ATOM 0 HH11 ARG A 28 -6.801 13.820 -6.570 0.50 0.00 H new ATOM 0 HH12 ARG A 28 -6.417 14.892 -5.220 0.50 0.00 H new ATOM 0 HH21 ARG A 28 -3.082 13.859 -5.022 0.50 0.00 H new ATOM 0 HH22 ARG A 28 -4.330 14.914 -4.351 0.50 0.00 H new ATOM 454 N LEU A 29 -1.425 9.043 -3.287 0.50 0.00 N ATOM 455 CA LEU A 29 -0.470 9.144 -2.142 0.50 0.00 C ATOM 456 C LEU A 29 0.884 9.667 -2.629 0.50 0.00 C ATOM 457 O LEU A 29 1.383 9.253 -3.656 0.50 0.00 O ATOM 458 CB LEU A 29 -0.340 7.712 -1.615 0.50 0.00 C ATOM 459 CG LEU A 29 0.622 7.673 -0.424 0.50 0.00 C ATOM 460 CD1 LEU A 29 0.180 8.682 0.640 0.50 0.00 C ATOM 461 CD2 LEU A 29 0.622 6.271 0.187 0.50 0.00 C ATOM 0 H LEU A 29 -1.042 8.630 -4.137 0.50 0.00 H new ATOM 0 HA LEU A 29 -0.814 9.833 -1.371 0.50 0.00 H new ATOM 0 HB2 LEU A 29 -1.318 7.337 -1.314 0.50 0.00 H new ATOM 0 HB3 LEU A 29 0.023 7.057 -2.407 0.50 0.00 H new ATOM 0 HG LEU A 29 1.624 7.927 -0.770 0.50 0.00 H new ATOM 0 HD11 LEU A 29 0.870 8.647 1.483 0.50 0.00 H new ATOM 0 HD12 LEU A 29 0.179 9.685 0.213 0.50 0.00 H new ATOM 0 HD13 LEU A 29 -0.824 8.433 0.983 0.50 0.00 H new ATOM 0 HD21 LEU A 29 1.307 6.243 1.035 0.50 0.00 H new ATOM 0 HD22 LEU A 29 -0.384 6.021 0.525 0.50 0.00 H new ATOM 0 HD23 LEU A 29 0.943 5.548 -0.562 0.50 0.00 H new ATOM 473 N ASP A 30 1.476 10.580 -1.905 0.50 0.00 N ATOM 474 CA ASP A 30 2.793 11.137 -2.335 0.50 0.00 C ATOM 475 C ASP A 30 3.787 11.151 -1.166 0.50 0.00 C ATOM 476 O ASP A 30 3.500 11.659 -0.100 0.50 0.00 O ATOM 477 CB ASP A 30 2.486 12.566 -2.787 0.50 0.00 C ATOM 478 CG ASP A 30 1.437 12.542 -3.901 0.50 0.00 C ATOM 479 OD1 ASP A 30 1.520 11.667 -4.746 0.50 0.00 O ATOM 480 OD2 ASP A 30 0.568 13.398 -3.889 0.50 0.00 O ATOM 0 H ASP A 30 1.105 10.964 -1.036 0.50 0.00 H new ATOM 0 HA ASP A 30 3.248 10.540 -3.125 0.50 0.00 H new ATOM 0 HB2 ASP A 30 2.122 13.154 -1.944 0.50 0.00 H new ATOM 0 HB3 ASP A 30 3.396 13.049 -3.142 0.50 0.00 H new ATOM 485 N VAL A 31 4.958 10.605 -1.367 0.50 0.00 N ATOM 486 CA VAL A 31 5.982 10.590 -0.281 0.50 0.00 C ATOM 487 C VAL A 31 7.392 10.677 -0.894 0.50 0.00 C ATOM 488 O VAL A 31 7.798 9.799 -1.630 0.50 0.00 O ATOM 489 CB VAL A 31 5.783 9.256 0.447 0.50 0.00 C ATOM 490 CG1 VAL A 31 4.494 9.313 1.271 0.50 0.00 C ATOM 491 CG2 VAL A 31 5.682 8.113 -0.566 0.50 0.00 C ATOM 0 H VAL A 31 5.250 10.167 -2.241 0.50 0.00 H new ATOM 0 HA VAL A 31 5.877 11.433 0.402 0.50 0.00 H new ATOM 0 HB VAL A 31 6.636 9.080 1.103 0.50 0.00 H new ATOM 0 HG11 VAL A 31 4.351 8.365 1.789 0.50 0.00 H new ATOM 0 HG12 VAL A 31 4.565 10.119 2.002 0.50 0.00 H new ATOM 0 HG13 VAL A 31 3.647 9.496 0.610 0.50 0.00 H new ATOM 0 HG21 VAL A 31 5.541 7.170 -0.038 0.50 0.00 H new ATOM 0 HG22 VAL A 31 4.835 8.288 -1.229 0.50 0.00 H new ATOM 0 HG23 VAL A 31 6.599 8.066 -1.154 0.50 0.00 H new ATOM 501 N PRO A 32 8.090 11.745 -0.589 0.50 0.00 N ATOM 502 CA PRO A 32 9.456 11.941 -1.142 0.50 0.00 C ATOM 503 C PRO A 32 10.474 11.019 -0.464 0.50 0.00 C ATOM 504 O PRO A 32 10.368 10.711 0.705 0.50 0.00 O ATOM 505 CB PRO A 32 9.763 13.403 -0.830 0.50 0.00 C ATOM 506 CG PRO A 32 8.906 13.739 0.349 0.50 0.00 C ATOM 507 CD PRO A 32 7.686 12.856 0.285 0.50 0.00 C ATOM 0 HA PRO A 32 9.511 11.707 -2.205 0.50 0.00 H new ATOM 0 HB2 PRO A 32 10.820 13.544 -0.602 0.50 0.00 H new ATOM 0 HB3 PRO A 32 9.532 14.044 -1.681 0.50 0.00 H new ATOM 0 HG2 PRO A 32 9.451 13.575 1.279 0.50 0.00 H new ATOM 0 HG3 PRO A 32 8.620 14.791 0.329 0.50 0.00 H new ATOM 0 HD2 PRO A 32 7.400 12.500 1.275 0.50 0.00 H new ATOM 0 HD3 PRO A 32 6.828 13.391 -0.122 0.50 0.00 H new ATOM 515 N ILE A 33 11.467 10.586 -1.198 0.50 0.00 N ATOM 516 CA ILE A 33 12.508 9.687 -0.610 0.50 0.00 C ATOM 517 C ILE A 33 13.863 9.967 -1.265 0.50 0.00 C ATOM 518 O ILE A 33 13.997 10.860 -2.077 0.50 0.00 O ATOM 519 CB ILE A 33 12.070 8.243 -0.917 0.50 0.00 C ATOM 520 CG1 ILE A 33 10.616 8.204 -1.417 0.50 0.00 C ATOM 521 CG2 ILE A 33 12.192 7.403 0.355 0.50 0.00 C ATOM 522 CD1 ILE A 33 10.250 6.776 -1.828 0.50 0.00 C ATOM 0 H ILE A 33 11.603 10.817 -2.182 0.50 0.00 H new ATOM 0 HA ILE A 33 12.608 9.849 0.463 0.50 0.00 H new ATOM 0 HB ILE A 33 12.714 7.841 -1.699 0.50 0.00 H new ATOM 0 HG12 ILE A 33 9.942 8.551 -0.633 0.50 0.00 H new ATOM 0 HG13 ILE A 33 10.494 8.879 -2.264 0.50 0.00 H new ATOM 0 HG21 ILE A 33 11.883 6.379 0.146 0.50 0.00 H new ATOM 0 HG22 ILE A 33 13.227 7.408 0.696 0.50 0.00 H new ATOM 0 HG23 ILE A 33 11.552 7.823 1.131 0.50 0.00 H new ATOM 0 HD11 ILE A 33 9.219 6.752 -2.182 0.50 0.00 H new ATOM 0 HD12 ILE A 33 10.915 6.445 -2.626 0.50 0.00 H new ATOM 0 HD13 ILE A 33 10.355 6.112 -0.970 0.50 0.00 H new ATOM 534 N SER A 34 14.865 9.201 -0.925 0.50 0.00 N ATOM 535 CA SER A 34 16.208 9.411 -1.538 0.50 0.00 C ATOM 536 C SER A 34 16.322 8.569 -2.818 0.50 0.00 C ATOM 537 O SER A 34 15.383 8.477 -3.584 0.50 0.00 O ATOM 538 CB SER A 34 17.203 8.945 -0.475 0.50 0.00 C ATOM 539 OG SER A 34 18.378 9.742 -0.550 0.50 0.00 O ATOM 0 H SER A 34 14.811 8.439 -0.249 0.50 0.00 H new ATOM 0 HA SER A 34 16.391 10.447 -1.823 0.50 0.00 H new ATOM 0 HB2 SER A 34 16.758 9.026 0.517 0.50 0.00 H new ATOM 0 HB3 SER A 34 17.452 7.895 -0.628 0.50 0.00 H new ATOM 0 HG SER A 34 19.017 9.447 0.131 0.50 0.00 H new ATOM 545 N GLY A 35 17.451 7.951 -3.060 0.50 0.00 N ATOM 546 CA GLY A 35 17.593 7.120 -4.289 0.50 0.00 C ATOM 547 C GLY A 35 18.178 7.966 -5.420 0.50 0.00 C ATOM 548 O GLY A 35 17.846 9.124 -5.579 0.50 0.00 O ATOM 0 H GLY A 35 18.276 7.987 -2.461 0.50 0.00 H new ATOM 0 HA2 GLY A 35 18.240 6.266 -4.089 0.50 0.00 H new ATOM 0 HA3 GLY A 35 16.622 6.722 -4.585 0.50 0.00 H new ATOM 552 N ASP A 36 19.049 7.392 -6.204 0.50 0.00 N ATOM 553 CA ASP A 36 19.663 8.156 -7.331 0.50 0.00 C ATOM 554 C ASP A 36 20.061 7.197 -8.466 0.50 0.00 C ATOM 555 O ASP A 36 20.969 6.408 -8.302 0.50 0.00 O ATOM 556 CB ASP A 36 20.907 8.811 -6.726 0.50 0.00 C ATOM 557 CG ASP A 36 21.044 10.239 -7.260 0.50 0.00 C ATOM 558 OD1 ASP A 36 21.604 10.398 -8.331 0.50 0.00 O ATOM 559 OD2 ASP A 36 20.586 11.147 -6.587 0.50 0.00 O ATOM 0 H ASP A 36 19.363 6.426 -6.114 0.50 0.00 H new ATOM 0 HA ASP A 36 18.978 8.889 -7.758 0.50 0.00 H new ATOM 0 HB2 ASP A 36 20.832 8.824 -5.639 0.50 0.00 H new ATOM 0 HB3 ASP A 36 21.795 8.231 -6.977 0.50 0.00 H new ATOM 564 N PRO A 37 19.377 7.282 -9.589 0.50 0.00 N ATOM 565 CA PRO A 37 18.268 8.258 -9.769 0.50 0.00 C ATOM 566 C PRO A 37 17.031 7.831 -8.972 0.50 0.00 C ATOM 567 O PRO A 37 16.580 8.535 -8.089 0.50 0.00 O ATOM 568 CB PRO A 37 17.993 8.218 -11.269 0.50 0.00 C ATOM 569 CG PRO A 37 18.476 6.879 -11.723 0.50 0.00 C ATOM 570 CD PRO A 37 19.586 6.465 -10.791 0.50 0.00 C ATOM 0 HA PRO A 37 18.520 9.257 -9.413 0.50 0.00 H new ATOM 0 HB2 PRO A 37 16.931 8.344 -11.478 0.50 0.00 H new ATOM 0 HB3 PRO A 37 18.517 9.021 -11.787 0.50 0.00 H new ATOM 0 HG2 PRO A 37 17.665 6.151 -11.703 0.50 0.00 H new ATOM 0 HG3 PRO A 37 18.835 6.928 -12.751 0.50 0.00 H new ATOM 0 HD2 PRO A 37 19.536 5.401 -10.562 0.50 0.00 H new ATOM 0 HD3 PRO A 37 20.565 6.650 -11.232 0.50 0.00 H new ATOM 578 N ALA A 38 16.476 6.688 -9.276 0.50 0.00 N ATOM 579 CA ALA A 38 15.264 6.225 -8.537 0.50 0.00 C ATOM 580 C ALA A 38 15.588 4.982 -7.700 0.50 0.00 C ATOM 581 O ALA A 38 16.210 4.057 -8.183 0.50 0.00 O ATOM 582 CB ALA A 38 14.244 5.886 -9.622 0.50 0.00 C ATOM 0 H ALA A 38 16.809 6.055 -10.003 0.50 0.00 H new ATOM 0 HA ALA A 38 14.892 6.982 -7.846 0.50 0.00 H new ATOM 0 HB1 ALA A 38 13.322 5.537 -9.158 0.50 0.00 H new ATOM 0 HB2 ALA A 38 14.037 6.775 -10.217 0.50 0.00 H new ATOM 0 HB3 ALA A 38 14.645 5.104 -10.267 0.50 0.00 H new ATOM 588 N PRO A 39 15.153 5.000 -6.463 0.50 0.00 N ATOM 589 CA PRO A 39 15.402 3.858 -5.558 0.50 0.00 C ATOM 590 C PRO A 39 14.380 2.748 -5.804 0.50 0.00 C ATOM 591 O PRO A 39 13.682 2.743 -6.798 0.50 0.00 O ATOM 592 CB PRO A 39 15.217 4.458 -4.169 0.50 0.00 C ATOM 593 CG PRO A 39 14.306 5.632 -4.357 0.50 0.00 C ATOM 594 CD PRO A 39 14.402 6.072 -5.799 0.50 0.00 C ATOM 0 HA PRO A 39 16.384 3.407 -5.700 0.50 0.00 H new ATOM 0 HB2 PRO A 39 14.783 3.731 -3.482 0.50 0.00 H new ATOM 0 HB3 PRO A 39 16.172 4.767 -3.745 0.50 0.00 H new ATOM 0 HG2 PRO A 39 13.280 5.361 -4.109 0.50 0.00 H new ATOM 0 HG3 PRO A 39 14.591 6.446 -3.691 0.50 0.00 H new ATOM 0 HD2 PRO A 39 13.414 6.197 -6.242 0.50 0.00 H new ATOM 0 HD3 PRO A 39 14.915 7.030 -5.888 0.50 0.00 H new ATOM 602 N THR A 40 14.281 1.815 -4.898 0.50 0.00 N ATOM 603 CA THR A 40 13.296 0.712 -5.069 0.50 0.00 C ATOM 604 C THR A 40 12.312 0.731 -3.903 0.50 0.00 C ATOM 605 O THR A 40 12.497 0.055 -2.912 0.50 0.00 O ATOM 606 CB THR A 40 14.120 -0.579 -5.058 0.50 0.00 C ATOM 607 OG1 THR A 40 15.437 -0.311 -5.520 0.50 0.00 O ATOM 608 CG2 THR A 40 13.458 -1.614 -5.968 0.50 0.00 C ATOM 0 H THR A 40 14.840 1.769 -4.046 0.50 0.00 H new ATOM 0 HA THR A 40 12.720 0.805 -5.990 0.50 0.00 H new ATOM 0 HB THR A 40 14.169 -0.968 -4.041 0.50 0.00 H new ATOM 0 HG1 THR A 40 15.916 0.222 -4.852 0.50 0.00 H new ATOM 0 HG21 THR A 40 14.044 -2.533 -5.960 0.50 0.00 H new ATOM 0 HG22 THR A 40 12.451 -1.823 -5.608 0.50 0.00 H new ATOM 0 HG23 THR A 40 13.407 -1.225 -6.985 0.50 0.00 H new ATOM 616 N VAL A 41 11.270 1.506 -4.016 0.50 0.00 N ATOM 617 CA VAL A 41 10.268 1.584 -2.915 0.50 0.00 C ATOM 618 C VAL A 41 9.124 0.594 -3.176 0.50 0.00 C ATOM 619 O VAL A 41 8.228 0.848 -3.955 0.50 0.00 O ATOM 620 CB VAL A 41 9.775 3.035 -2.937 0.50 0.00 C ATOM 621 CG1 VAL A 41 9.145 3.356 -4.296 0.50 0.00 C ATOM 622 CG2 VAL A 41 8.741 3.238 -1.832 0.50 0.00 C ATOM 0 H VAL A 41 11.068 2.091 -4.826 0.50 0.00 H new ATOM 0 HA VAL A 41 10.684 1.321 -1.942 0.50 0.00 H new ATOM 0 HB VAL A 41 10.621 3.702 -2.772 0.50 0.00 H new ATOM 0 HG11 VAL A 41 8.798 4.389 -4.301 0.50 0.00 H new ATOM 0 HG12 VAL A 41 9.887 3.218 -5.083 0.50 0.00 H new ATOM 0 HG13 VAL A 41 8.301 2.689 -4.473 0.50 0.00 H new ATOM 0 HG21 VAL A 41 8.390 4.270 -1.847 0.50 0.00 H new ATOM 0 HG22 VAL A 41 7.898 2.566 -1.994 0.50 0.00 H new ATOM 0 HG23 VAL A 41 9.195 3.024 -0.865 0.50 0.00 H new ATOM 632 N ILE A 42 9.170 -0.546 -2.538 0.50 0.00 N ATOM 633 CA ILE A 42 8.114 -1.576 -2.750 0.50 0.00 C ATOM 634 C ILE A 42 7.002 -1.457 -1.697 0.50 0.00 C ATOM 635 O ILE A 42 7.206 -1.756 -0.538 0.50 0.00 O ATOM 636 CB ILE A 42 8.863 -2.901 -2.590 0.50 0.00 C ATOM 637 CG1 ILE A 42 9.865 -3.071 -3.739 0.50 0.00 C ATOM 638 CG2 ILE A 42 7.874 -4.064 -2.597 0.50 0.00 C ATOM 639 CD1 ILE A 42 9.131 -3.030 -5.083 0.50 0.00 C ATOM 0 H ILE A 42 9.899 -0.808 -1.875 0.50 0.00 H new ATOM 0 HA ILE A 42 7.622 -1.475 -3.717 0.50 0.00 H new ATOM 0 HB ILE A 42 9.398 -2.893 -1.641 0.50 0.00 H new ATOM 0 HG12 ILE A 42 10.614 -2.280 -3.700 0.50 0.00 H new ATOM 0 HG13 ILE A 42 10.395 -4.017 -3.633 0.50 0.00 H new ATOM 0 HG21 ILE A 42 8.416 -5.003 -2.483 0.50 0.00 H new ATOM 0 HG22 ILE A 42 7.170 -3.948 -1.773 0.50 0.00 H new ATOM 0 HG23 ILE A 42 7.329 -4.072 -3.541 0.50 0.00 H new ATOM 0 HD11 ILE A 42 9.849 -3.151 -5.894 0.50 0.00 H new ATOM 0 HD12 ILE A 42 8.399 -3.837 -5.123 0.50 0.00 H new ATOM 0 HD13 ILE A 42 8.621 -2.072 -5.190 0.50 0.00 H new ATOM 651 N TRP A 43 5.825 -1.047 -2.098 0.50 0.00 N ATOM 652 CA TRP A 43 4.698 -0.934 -1.121 0.50 0.00 C ATOM 653 C TRP A 43 4.209 -2.335 -0.731 0.50 0.00 C ATOM 654 O TRP A 43 3.683 -3.062 -1.552 0.50 0.00 O ATOM 655 CB TRP A 43 3.584 -0.189 -1.865 0.50 0.00 C ATOM 656 CG TRP A 43 3.970 1.239 -2.080 0.50 0.00 C ATOM 657 CD1 TRP A 43 4.285 1.783 -3.277 0.50 0.00 C ATOM 658 CD2 TRP A 43 4.084 2.312 -1.100 0.50 0.00 C ATOM 659 NE1 TRP A 43 4.587 3.121 -3.096 0.50 0.00 N ATOM 660 CE2 TRP A 43 4.480 3.494 -1.771 0.50 0.00 C ATOM 661 CE3 TRP A 43 3.888 2.376 0.292 0.50 0.00 C ATOM 662 CZ2 TRP A 43 4.675 4.694 -1.088 0.50 0.00 C ATOM 663 CZ3 TRP A 43 4.085 3.577 0.983 0.50 0.00 C ATOM 664 CH2 TRP A 43 4.479 4.736 0.297 0.50 0.00 C ATOM 0 H TRP A 43 5.596 -0.786 -3.057 0.50 0.00 H new ATOM 0 HA TRP A 43 4.999 -0.416 -0.210 0.50 0.00 H new ATOM 0 HB2 TRP A 43 3.393 -0.670 -2.824 0.50 0.00 H new ATOM 0 HB3 TRP A 43 2.658 -0.240 -1.293 0.50 0.00 H new ATOM 0 HD1 TRP A 43 4.299 1.258 -4.221 0.50 0.00 H new ATOM 0 HE1 TRP A 43 4.856 3.754 -3.849 0.50 0.00 H new ATOM 0 HE3 TRP A 43 3.583 1.491 0.831 0.50 0.00 H new ATOM 0 HZ2 TRP A 43 4.975 5.583 -1.623 0.50 0.00 H new ATOM 0 HZ3 TRP A 43 3.933 3.612 2.052 0.50 0.00 H new ATOM 0 HH2 TRP A 43 4.631 5.659 0.837 0.50 0.00 H new ATOM 675 N GLN A 44 4.371 -2.720 0.507 0.50 0.00 N ATOM 676 CA GLN A 44 3.903 -4.077 0.926 0.50 0.00 C ATOM 677 C GLN A 44 2.620 -3.958 1.752 0.50 0.00 C ATOM 678 O GLN A 44 2.403 -2.980 2.440 0.50 0.00 O ATOM 679 CB GLN A 44 5.032 -4.659 1.780 0.50 0.00 C ATOM 680 CG GLN A 44 6.333 -4.690 0.971 0.50 0.00 C ATOM 681 CD GLN A 44 6.486 -6.057 0.304 0.50 0.00 C ATOM 682 OE1 GLN A 44 7.036 -6.972 0.885 0.50 0.00 O ATOM 683 NE2 GLN A 44 6.019 -6.238 -0.902 0.50 0.00 N ATOM 0 H GLN A 44 4.803 -2.160 1.242 0.50 0.00 H new ATOM 0 HA GLN A 44 3.680 -4.712 0.068 0.50 0.00 H new ATOM 0 HB2 GLN A 44 5.167 -4.058 2.679 0.50 0.00 H new ATOM 0 HB3 GLN A 44 4.772 -5.666 2.106 0.50 0.00 H new ATOM 0 HG2 GLN A 44 6.323 -3.904 0.216 0.50 0.00 H new ATOM 0 HG3 GLN A 44 7.184 -4.494 1.623 0.50 0.00 H new ATOM 0 HE21 GLN A 44 5.557 -5.471 -1.391 0.50 0.00 H new ATOM 0 HE22 GLN A 44 6.116 -7.147 -1.355 0.50 0.00 H new ATOM 692 N LYS A 45 1.767 -4.946 1.688 0.50 0.00 N ATOM 693 CA LYS A 45 0.498 -4.891 2.470 0.50 0.00 C ATOM 694 C LYS A 45 0.515 -5.942 3.584 0.50 0.00 C ATOM 695 O LYS A 45 1.068 -7.013 3.431 0.50 0.00 O ATOM 696 CB LYS A 45 -0.612 -5.187 1.458 0.50 0.00 C ATOM 697 CG LYS A 45 -0.364 -6.544 0.789 0.50 0.00 C ATOM 698 CD LYS A 45 -1.673 -7.337 0.730 0.50 0.00 C ATOM 699 CE LYS A 45 -1.816 -7.992 -0.646 0.50 0.00 C ATOM 700 NZ LYS A 45 -2.894 -9.005 -0.479 0.50 0.00 N ATOM 0 H LYS A 45 1.895 -5.789 1.128 0.50 0.00 H new ATOM 0 HA LYS A 45 0.354 -3.925 2.953 0.50 0.00 H new ATOM 0 HB2 LYS A 45 -1.580 -5.191 1.959 0.50 0.00 H new ATOM 0 HB3 LYS A 45 -0.646 -4.401 0.703 0.50 0.00 H new ATOM 0 HG2 LYS A 45 0.030 -6.398 -0.217 0.50 0.00 H new ATOM 0 HG3 LYS A 45 0.387 -7.104 1.347 0.50 0.00 H new ATOM 0 HD2 LYS A 45 -1.684 -8.099 1.509 0.50 0.00 H new ATOM 0 HD3 LYS A 45 -2.519 -6.676 0.919 0.50 0.00 H new ATOM 0 HE2 LYS A 45 -2.079 -7.258 -1.408 0.50 0.00 H new ATOM 0 HE3 LYS A 45 -0.882 -8.457 -0.961 0.50 0.00 H new ATOM 0 HZ1 LYS A 45 -3.051 -9.497 -1.382 0.50 0.00 H new ATOM 0 HZ2 LYS A 45 -2.613 -9.694 0.247 0.50 0.00 H new ATOM 0 HZ3 LYS A 45 -3.773 -8.532 -0.186 0.50 0.00 H new ATOM 714 N ALA A 46 -0.086 -5.640 4.703 0.50 0.00 N ATOM 715 CA ALA A 46 -0.105 -6.619 5.829 0.50 0.00 C ATOM 716 C ALA A 46 -1.503 -6.681 6.449 0.50 0.00 C ATOM 717 O ALA A 46 -2.153 -5.672 6.639 0.50 0.00 O ATOM 718 CB ALA A 46 0.906 -6.079 6.841 0.50 0.00 C ATOM 0 H ALA A 46 -0.565 -4.758 4.887 0.50 0.00 H new ATOM 0 HA ALA A 46 0.145 -7.629 5.503 0.50 0.00 H new ATOM 0 HB1 ALA A 46 0.951 -6.746 7.702 0.50 0.00 H new ATOM 0 HB2 ALA A 46 1.890 -6.020 6.376 0.50 0.00 H new ATOM 0 HB3 ALA A 46 0.599 -5.085 7.167 0.50 0.00 H new ATOM 724 N ILE A 47 -1.970 -7.859 6.765 0.50 0.00 N ATOM 725 CA ILE A 47 -3.326 -7.987 7.372 0.50 0.00 C ATOM 726 C ILE A 47 -3.257 -7.717 8.879 0.50 0.00 C ATOM 727 O ILE A 47 -2.207 -7.801 9.486 0.50 0.00 O ATOM 728 CB ILE A 47 -3.755 -9.431 7.097 0.50 0.00 C ATOM 729 CG1 ILE A 47 -5.147 -9.672 7.690 0.50 0.00 C ATOM 730 CG2 ILE A 47 -2.755 -10.405 7.732 0.50 0.00 C ATOM 731 CD1 ILE A 47 -5.700 -11.000 7.172 0.50 0.00 C ATOM 0 H ILE A 47 -1.471 -8.738 6.629 0.50 0.00 H new ATOM 0 HA ILE A 47 -4.035 -7.271 6.955 0.50 0.00 H new ATOM 0 HB ILE A 47 -3.781 -9.596 6.020 0.50 0.00 H new ATOM 0 HG12 ILE A 47 -5.092 -9.689 8.778 0.50 0.00 H new ATOM 0 HG13 ILE A 47 -5.816 -8.856 7.417 0.50 0.00 H new ATOM 0 HG21 ILE A 47 -3.068 -11.430 7.532 0.50 0.00 H new ATOM 0 HG22 ILE A 47 -1.765 -10.238 7.308 0.50 0.00 H new ATOM 0 HG23 ILE A 47 -2.720 -10.240 8.809 0.50 0.00 H new ATOM 0 HD11 ILE A 47 -6.690 -11.171 7.594 0.50 0.00 H new ATOM 0 HD12 ILE A 47 -5.770 -10.966 6.085 0.50 0.00 H new ATOM 0 HD13 ILE A 47 -5.035 -11.811 7.467 0.50 0.00 H new ATOM 743 N THR A 48 -4.369 -7.397 9.482 0.50 0.00 N ATOM 744 CA THR A 48 -4.371 -7.124 10.948 0.50 0.00 C ATOM 745 C THR A 48 -4.930 -8.331 11.705 0.50 0.00 C ATOM 746 O THR A 48 -5.644 -8.190 12.678 0.50 0.00 O ATOM 747 CB THR A 48 -5.284 -5.909 11.125 0.50 0.00 C ATOM 748 OG1 THR A 48 -6.574 -6.208 10.609 0.50 0.00 O ATOM 749 CG2 THR A 48 -4.695 -4.714 10.374 0.50 0.00 C ATOM 0 H THR A 48 -5.276 -7.313 9.024 0.50 0.00 H new ATOM 0 HA THR A 48 -3.370 -6.939 11.337 0.50 0.00 H new ATOM 0 HB THR A 48 -5.365 -5.665 12.184 0.50 0.00 H new ATOM 0 HG1 THR A 48 -7.160 -5.431 10.723 0.50 0.00 H new ATOM 0 HG21 THR A 48 -5.345 -3.848 10.500 0.50 0.00 H new ATOM 0 HG22 THR A 48 -3.706 -4.486 10.772 0.50 0.00 H new ATOM 0 HG23 THR A 48 -4.613 -4.955 9.314 0.50 0.00 H new ATOM 757 N GLN A 49 -4.610 -9.517 11.261 0.50 0.00 N ATOM 758 CA GLN A 49 -5.121 -10.738 11.949 0.50 0.00 C ATOM 759 C GLN A 49 -4.062 -11.842 11.921 0.50 0.00 C ATOM 760 O GLN A 49 -2.984 -11.669 11.385 0.50 0.00 O ATOM 761 CB GLN A 49 -6.354 -11.156 11.149 0.50 0.00 C ATOM 762 CG GLN A 49 -7.616 -10.641 11.845 0.50 0.00 C ATOM 763 CD GLN A 49 -8.136 -11.701 12.817 0.50 0.00 C ATOM 764 OE1 GLN A 49 -7.422 -12.617 13.176 0.50 0.00 O ATOM 765 NE2 GLN A 49 -9.361 -11.618 13.260 0.50 0.00 N ATOM 0 H GLN A 49 -4.016 -9.693 10.451 0.50 0.00 H new ATOM 0 HA GLN A 49 -5.359 -10.554 12.997 0.50 0.00 H new ATOM 0 HB2 GLN A 49 -6.296 -10.756 10.137 0.50 0.00 H new ATOM 0 HB3 GLN A 49 -6.392 -12.242 11.061 0.50 0.00 H new ATOM 0 HG2 GLN A 49 -7.396 -9.718 12.381 0.50 0.00 H new ATOM 0 HG3 GLN A 49 -8.381 -10.405 11.105 0.50 0.00 H new ATOM 0 HE21 GLN A 49 -9.961 -10.850 12.960 0.50 0.00 H new ATOM 0 HE22 GLN A 49 -9.718 -12.321 13.907 0.50 0.00 H new ATOM 774 N GLY A 50 -4.361 -12.978 12.493 0.50 0.00 N ATOM 775 CA GLY A 50 -3.374 -14.096 12.499 0.50 0.00 C ATOM 776 C GLY A 50 -4.116 -15.432 12.468 0.50 0.00 C ATOM 777 O GLY A 50 -5.148 -15.594 13.089 0.50 0.00 O ATOM 0 H GLY A 50 -5.247 -13.180 12.957 0.50 0.00 H new ATOM 0 HA2 GLY A 50 -2.712 -14.015 11.637 0.50 0.00 H new ATOM 0 HA3 GLY A 50 -2.747 -14.037 13.389 0.50 0.00 H new ATOM 781 N ASN A 51 -3.597 -16.393 11.748 0.50 0.00 N ATOM 782 CA ASN A 51 -4.268 -17.728 11.670 0.50 0.00 C ATOM 783 C ASN A 51 -5.741 -17.565 11.275 0.50 0.00 C ATOM 784 O ASN A 51 -6.627 -18.076 11.931 0.50 0.00 O ATOM 785 CB ASN A 51 -4.149 -18.319 13.076 0.50 0.00 C ATOM 786 CG ASN A 51 -2.672 -18.504 13.429 0.50 0.00 C ATOM 787 OD1 ASN A 51 -1.861 -18.784 12.569 0.50 0.00 O ATOM 788 ND2 ASN A 51 -2.287 -18.358 14.667 0.50 0.00 N ATOM 0 H ASN A 51 -2.735 -16.312 11.209 0.50 0.00 H new ATOM 0 HA ASN A 51 -3.811 -18.372 10.919 0.50 0.00 H new ATOM 0 HB2 ASN A 51 -4.627 -17.660 13.801 0.50 0.00 H new ATOM 0 HB3 ASN A 51 -4.668 -19.276 13.125 0.50 0.00 H new ATOM 0 HD21 ASN A 51 -1.305 -18.479 14.913 0.50 0.00 H new ATOM 0 HD22 ASN A 51 -2.968 -18.123 15.389 0.50 0.00 H new ATOM 795 N LYS A 52 -6.004 -16.859 10.209 0.50 0.00 N ATOM 796 CA LYS A 52 -7.418 -16.663 9.771 0.50 0.00 C ATOM 797 C LYS A 52 -8.012 -17.988 9.289 0.50 0.00 C ATOM 798 O LYS A 52 -7.542 -19.056 9.631 0.50 0.00 O ATOM 799 CB LYS A 52 -7.346 -15.645 8.626 0.50 0.00 C ATOM 800 CG LYS A 52 -6.710 -16.290 7.390 0.50 0.00 C ATOM 801 CD LYS A 52 -5.730 -15.308 6.744 0.50 0.00 C ATOM 802 CE LYS A 52 -4.929 -16.026 5.653 0.50 0.00 C ATOM 803 NZ LYS A 52 -5.022 -15.141 4.459 0.50 0.00 N ATOM 0 H LYS A 52 -5.302 -16.409 9.622 0.50 0.00 H new ATOM 0 HA LYS A 52 -8.057 -16.311 10.581 0.50 0.00 H new ATOM 0 HB2 LYS A 52 -8.346 -15.286 8.385 0.50 0.00 H new ATOM 0 HB3 LYS A 52 -6.762 -14.778 8.935 0.50 0.00 H new ATOM 0 HG2 LYS A 52 -6.190 -17.205 7.672 0.50 0.00 H new ATOM 0 HG3 LYS A 52 -7.484 -16.570 6.675 0.50 0.00 H new ATOM 0 HD2 LYS A 52 -6.273 -14.465 6.316 0.50 0.00 H new ATOM 0 HD3 LYS A 52 -5.055 -14.903 7.498 0.50 0.00 H new ATOM 0 HE2 LYS A 52 -3.892 -16.172 5.956 0.50 0.00 H new ATOM 0 HE3 LYS A 52 -5.342 -17.013 5.445 0.50 0.00 H new ATOM 0 HZ1 LYS A 52 -4.496 -15.567 3.669 0.50 0.00 H new ATOM 0 HZ2 LYS A 52 -6.020 -15.026 4.189 0.50 0.00 H new ATOM 0 HZ3 LYS A 52 -4.615 -14.211 4.684 0.50 0.00 H new ATOM 817 N ALA A 53 -9.045 -17.919 8.498 0.50 0.00 N ATOM 818 CA ALA A 53 -9.684 -19.167 7.986 0.50 0.00 C ATOM 819 C ALA A 53 -8.949 -19.661 6.734 0.50 0.00 C ATOM 820 O ALA A 53 -8.102 -18.970 6.201 0.50 0.00 O ATOM 821 CB ALA A 53 -11.118 -18.764 7.642 0.50 0.00 C ATOM 0 H ALA A 53 -9.477 -17.051 8.182 0.50 0.00 H new ATOM 0 HA ALA A 53 -9.652 -19.978 8.714 0.50 0.00 H new ATOM 0 HB1 ALA A 53 -11.657 -19.630 7.257 0.50 0.00 H new ATOM 0 HB2 ALA A 53 -11.617 -18.395 8.538 0.50 0.00 H new ATOM 0 HB3 ALA A 53 -11.104 -17.980 6.885 0.50 0.00 H new ATOM 827 N PRO A 54 -9.297 -20.848 6.303 0.50 0.00 N ATOM 828 CA PRO A 54 -8.656 -21.435 5.101 0.50 0.00 C ATOM 829 C PRO A 54 -9.149 -20.732 3.834 0.50 0.00 C ATOM 830 O PRO A 54 -10.118 -19.998 3.857 0.50 0.00 O ATOM 831 CB PRO A 54 -9.111 -22.892 5.126 0.50 0.00 C ATOM 832 CG PRO A 54 -10.389 -22.885 5.904 0.50 0.00 C ATOM 833 CD PRO A 54 -10.305 -21.745 6.884 0.50 0.00 C ATOM 0 HA PRO A 54 -7.571 -21.333 5.102 0.50 0.00 H new ATOM 0 HB2 PRO A 54 -9.265 -23.275 4.117 0.50 0.00 H new ATOM 0 HB3 PRO A 54 -8.365 -23.531 5.599 0.50 0.00 H new ATOM 0 HG2 PRO A 54 -11.244 -22.759 5.239 0.50 0.00 H new ATOM 0 HG3 PRO A 54 -10.527 -23.832 6.426 0.50 0.00 H new ATOM 0 HD2 PRO A 54 -11.267 -21.244 6.997 0.50 0.00 H new ATOM 0 HD3 PRO A 54 -10.008 -22.091 7.874 0.50 0.00 H new ATOM 841 N ALA A 55 -8.489 -20.952 2.728 0.50 0.00 N ATOM 842 CA ALA A 55 -8.917 -20.298 1.457 0.50 0.00 C ATOM 843 C ALA A 55 -10.307 -20.790 1.050 0.50 0.00 C ATOM 844 O ALA A 55 -11.029 -21.367 1.839 0.50 0.00 O ATOM 845 CB ALA A 55 -7.874 -20.722 0.420 0.50 0.00 C ATOM 0 H ALA A 55 -7.671 -21.557 2.650 0.50 0.00 H new ATOM 0 HA ALA A 55 -8.979 -19.214 1.553 0.50 0.00 H new ATOM 0 HB1 ALA A 55 -8.120 -20.280 -0.545 0.50 0.00 H new ATOM 0 HB2 ALA A 55 -6.888 -20.380 0.735 0.50 0.00 H new ATOM 0 HB3 ALA A 55 -7.870 -21.808 0.331 0.50 0.00 H new ATOM 851 N ARG A 56 -10.684 -20.566 -0.180 0.50 0.00 N ATOM 852 CA ARG A 56 -12.027 -21.020 -0.647 0.50 0.00 C ATOM 853 C ARG A 56 -11.922 -21.639 -2.046 0.50 0.00 C ATOM 854 O ARG A 56 -12.082 -20.961 -3.042 0.50 0.00 O ATOM 855 CB ARG A 56 -12.896 -19.760 -0.667 0.50 0.00 C ATOM 856 CG ARG A 56 -12.282 -18.708 -1.598 0.50 0.00 C ATOM 857 CD ARG A 56 -12.628 -17.308 -1.085 0.50 0.00 C ATOM 858 NE ARG A 56 -11.599 -17.015 -0.048 0.50 0.00 N ATOM 859 CZ ARG A 56 -10.743 -16.048 -0.234 0.50 0.00 C ATOM 860 NH1 ARG A 56 -11.164 -14.858 -0.569 0.50 0.00 N ATOM 861 NH2 ARG A 56 -9.466 -16.269 -0.085 0.50 0.00 N ATOM 0 H ARG A 56 -10.120 -20.088 -0.883 0.50 0.00 H new ATOM 0 HA ARG A 56 -12.451 -21.786 0.002 0.50 0.00 H new ATOM 0 HB2 ARG A 56 -13.903 -20.009 -1.002 0.50 0.00 H new ATOM 0 HB3 ARG A 56 -12.986 -19.356 0.341 0.50 0.00 H new ATOM 0 HG2 ARG A 56 -11.200 -18.833 -1.643 0.50 0.00 H new ATOM 0 HG3 ARG A 56 -12.660 -18.839 -2.612 0.50 0.00 H new ATOM 0 HD2 ARG A 56 -12.598 -16.574 -1.890 0.50 0.00 H new ATOM 0 HD3 ARG A 56 -13.633 -17.279 -0.664 0.50 0.00 H new ATOM 0 HE ARG A 56 -11.564 -17.570 0.807 0.50 0.00 H new ATOM 0 HH11 ARG A 56 -12.162 -14.684 -0.685 0.50 0.00 H new ATOM 0 HH12 ARG A 56 -10.494 -14.102 -0.714 0.50 0.00 H new ATOM 0 HH21 ARG A 56 -9.136 -17.198 0.177 0.50 0.00 H new ATOM 0 HH22 ARG A 56 -8.797 -15.513 -0.231 0.50 0.00 H new ATOM 875 N PRO A 57 -11.650 -22.919 -2.073 0.50 0.00 N ATOM 876 CA PRO A 57 -11.516 -23.641 -3.359 0.50 0.00 C ATOM 877 C PRO A 57 -12.894 -23.911 -3.968 0.50 0.00 C ATOM 878 O PRO A 57 -13.913 -23.587 -3.390 0.50 0.00 O ATOM 879 CB PRO A 57 -10.830 -24.946 -2.967 0.50 0.00 C ATOM 880 CG PRO A 57 -11.175 -25.157 -1.525 0.50 0.00 C ATOM 881 CD PRO A 57 -11.444 -23.802 -0.918 0.50 0.00 C ATOM 0 HA PRO A 57 -10.958 -23.080 -4.109 0.50 0.00 H new ATOM 0 HB2 PRO A 57 -11.182 -25.775 -3.581 0.50 0.00 H new ATOM 0 HB3 PRO A 57 -9.751 -24.881 -3.108 0.50 0.00 H new ATOM 0 HG2 PRO A 57 -12.050 -25.800 -1.431 0.50 0.00 H new ATOM 0 HG3 PRO A 57 -10.357 -25.654 -1.004 0.50 0.00 H new ATOM 0 HD2 PRO A 57 -12.322 -23.823 -0.272 0.50 0.00 H new ATOM 0 HD3 PRO A 57 -10.606 -23.467 -0.306 0.50 0.00 H new ATOM 889 N ALA A 58 -12.931 -24.504 -5.132 0.50 0.00 N ATOM 890 CA ALA A 58 -14.243 -24.798 -5.780 0.50 0.00 C ATOM 891 C ALA A 58 -14.969 -25.914 -5.020 0.50 0.00 C ATOM 892 O ALA A 58 -14.425 -26.487 -4.098 0.50 0.00 O ATOM 893 CB ALA A 58 -13.893 -25.252 -7.199 0.50 0.00 C ATOM 0 H ALA A 58 -12.110 -24.797 -5.662 0.50 0.00 H new ATOM 0 HA ALA A 58 -14.906 -23.933 -5.783 0.50 0.00 H new ATOM 0 HB1 ALA A 58 -14.808 -25.488 -7.742 0.50 0.00 H new ATOM 0 HB2 ALA A 58 -13.360 -24.454 -7.715 0.50 0.00 H new ATOM 0 HB3 ALA A 58 -13.261 -26.139 -7.152 0.50 0.00 H new ATOM 899 N PRO A 59 -16.181 -26.188 -5.433 0.50 0.00 N ATOM 900 CA PRO A 59 -16.985 -27.248 -4.774 0.50 0.00 C ATOM 901 C PRO A 59 -16.453 -28.634 -5.148 0.50 0.00 C ATOM 902 O PRO A 59 -15.599 -28.771 -6.003 0.50 0.00 O ATOM 903 CB PRO A 59 -18.388 -27.035 -5.334 0.50 0.00 C ATOM 904 CG PRO A 59 -18.183 -26.349 -6.647 0.50 0.00 C ATOM 905 CD PRO A 59 -16.913 -25.547 -6.535 0.50 0.00 C ATOM 0 HA PRO A 59 -16.953 -27.195 -3.686 0.50 0.00 H new ATOM 0 HB2 PRO A 59 -18.910 -27.983 -5.462 0.50 0.00 H new ATOM 0 HB3 PRO A 59 -18.993 -26.427 -4.661 0.50 0.00 H new ATOM 0 HG2 PRO A 59 -18.108 -27.077 -7.454 0.50 0.00 H new ATOM 0 HG3 PRO A 59 -19.028 -25.701 -6.879 0.50 0.00 H new ATOM 0 HD2 PRO A 59 -16.341 -25.574 -7.463 0.50 0.00 H new ATOM 0 HD3 PRO A 59 -17.121 -24.499 -6.319 0.50 0.00 H new ATOM 913 N ASP A 60 -16.950 -29.662 -4.511 0.50 0.00 N ATOM 914 CA ASP A 60 -16.480 -31.047 -4.820 0.50 0.00 C ATOM 915 C ASP A 60 -14.957 -31.132 -4.715 0.50 0.00 C ATOM 916 O ASP A 60 -14.279 -31.327 -5.701 0.50 0.00 O ATOM 917 CB ASP A 60 -16.921 -31.319 -6.261 0.50 0.00 C ATOM 918 CG ASP A 60 -18.443 -31.205 -6.363 0.50 0.00 C ATOM 919 OD1 ASP A 60 -19.114 -31.674 -5.459 0.50 0.00 O ATOM 920 OD2 ASP A 60 -18.911 -30.649 -7.343 0.50 0.00 O ATOM 0 H ASP A 60 -17.665 -29.602 -3.786 0.50 0.00 H new ATOM 0 HA ASP A 60 -16.893 -31.775 -4.121 0.50 0.00 H new ATOM 0 HB2 ASP A 60 -16.447 -30.608 -6.937 0.50 0.00 H new ATOM 0 HB3 ASP A 60 -16.599 -32.314 -6.569 0.50 0.00 H new ATOM 925 N ALA A 61 -14.419 -30.992 -3.527 0.50 0.00 N ATOM 926 CA ALA A 61 -12.933 -31.067 -3.350 0.50 0.00 C ATOM 927 C ALA A 61 -12.357 -32.231 -4.169 0.50 0.00 C ATOM 928 O ALA A 61 -12.415 -33.369 -3.749 0.50 0.00 O ATOM 929 CB ALA A 61 -12.730 -31.313 -1.855 0.50 0.00 C ATOM 0 H ALA A 61 -14.946 -30.828 -2.669 0.50 0.00 H new ATOM 0 HA ALA A 61 -12.429 -30.162 -3.690 0.50 0.00 H new ATOM 0 HB1 ALA A 61 -11.664 -31.381 -1.639 0.50 0.00 H new ATOM 0 HB2 ALA A 61 -13.163 -30.489 -1.289 0.50 0.00 H new ATOM 0 HB3 ALA A 61 -13.218 -32.245 -1.570 0.50 0.00 H new ATOM 935 N PRO A 62 -11.840 -31.907 -5.329 0.50 0.00 N ATOM 936 CA PRO A 62 -11.278 -32.934 -6.223 0.50 0.00 C ATOM 937 C PRO A 62 -9.781 -33.123 -5.953 0.50 0.00 C ATOM 938 O PRO A 62 -8.972 -32.275 -6.271 0.50 0.00 O ATOM 939 CB PRO A 62 -11.517 -32.333 -7.606 0.50 0.00 C ATOM 940 CG PRO A 62 -11.590 -30.844 -7.402 0.50 0.00 C ATOM 941 CD PRO A 62 -11.724 -30.574 -5.921 0.50 0.00 C ATOM 0 HA PRO A 62 -11.725 -33.920 -6.098 0.50 0.00 H new ATOM 0 HB2 PRO A 62 -10.710 -32.594 -8.290 0.50 0.00 H new ATOM 0 HB3 PRO A 62 -12.441 -32.713 -8.043 0.50 0.00 H new ATOM 0 HG2 PRO A 62 -10.695 -30.362 -7.796 0.50 0.00 H new ATOM 0 HG3 PRO A 62 -12.440 -30.428 -7.942 0.50 0.00 H new ATOM 0 HD2 PRO A 62 -10.858 -30.038 -5.533 0.50 0.00 H new ATOM 0 HD3 PRO A 62 -12.600 -29.963 -5.704 0.50 0.00 H new ATOM 949 N GLU A 63 -9.412 -34.232 -5.370 0.50 0.00 N ATOM 950 CA GLU A 63 -7.968 -34.479 -5.078 0.50 0.00 C ATOM 951 C GLU A 63 -7.166 -34.557 -6.381 0.50 0.00 C ATOM 952 O GLU A 63 -7.617 -35.110 -7.366 0.50 0.00 O ATOM 953 CB GLU A 63 -7.930 -35.822 -4.341 0.50 0.00 C ATOM 954 CG GLU A 63 -8.516 -36.920 -5.233 0.50 0.00 C ATOM 955 CD GLU A 63 -9.256 -37.942 -4.366 0.50 0.00 C ATOM 956 OE1 GLU A 63 -10.255 -37.571 -3.772 0.50 0.00 O ATOM 957 OE2 GLU A 63 -8.811 -39.076 -4.312 0.50 0.00 O ATOM 0 H GLU A 63 -10.046 -34.977 -5.083 0.50 0.00 H new ATOM 0 HA GLU A 63 -7.528 -33.678 -4.484 0.50 0.00 H new ATOM 0 HB2 GLU A 63 -6.904 -36.070 -4.070 0.50 0.00 H new ATOM 0 HB3 GLU A 63 -8.497 -35.754 -3.413 0.50 0.00 H new ATOM 0 HG2 GLU A 63 -9.198 -36.485 -5.963 0.50 0.00 H new ATOM 0 HG3 GLU A 63 -7.721 -37.411 -5.794 0.50 0.00 H new ATOM 964 N ASP A 64 -5.982 -34.006 -6.393 0.50 0.00 N ATOM 965 CA ASP A 64 -5.148 -34.046 -7.629 0.50 0.00 C ATOM 966 C ASP A 64 -3.912 -34.923 -7.405 0.50 0.00 C ATOM 967 O ASP A 64 -3.407 -35.027 -6.304 0.50 0.00 O ATOM 968 CB ASP A 64 -4.738 -32.595 -7.877 0.50 0.00 C ATOM 969 CG ASP A 64 -5.824 -31.889 -8.693 0.50 0.00 C ATOM 970 OD1 ASP A 64 -6.291 -32.477 -9.654 0.50 0.00 O ATOM 971 OD2 ASP A 64 -6.170 -30.773 -8.341 0.50 0.00 O ATOM 0 H ASP A 64 -5.556 -33.529 -5.599 0.50 0.00 H new ATOM 0 HA ASP A 64 -5.687 -34.468 -8.477 0.50 0.00 H new ATOM 0 HB2 ASP A 64 -4.590 -32.081 -6.927 0.50 0.00 H new ATOM 0 HB3 ASP A 64 -3.788 -32.561 -8.410 0.50 0.00 H new ATOM 976 N THR A 65 -3.423 -35.551 -8.439 0.50 0.00 N ATOM 977 CA THR A 65 -2.220 -36.421 -8.288 0.50 0.00 C ATOM 978 C THR A 65 -1.327 -36.311 -9.526 0.50 0.00 C ATOM 979 O THR A 65 -1.238 -37.225 -10.323 0.50 0.00 O ATOM 980 CB THR A 65 -2.772 -37.841 -8.147 0.50 0.00 C ATOM 981 OG1 THR A 65 -3.734 -37.872 -7.101 0.50 0.00 O ATOM 982 CG2 THR A 65 -1.630 -38.806 -7.823 0.50 0.00 C ATOM 0 H THR A 65 -3.804 -35.500 -9.384 0.50 0.00 H new ATOM 0 HA THR A 65 -1.609 -36.135 -7.432 0.50 0.00 H new ATOM 0 HB THR A 65 -3.243 -38.142 -9.083 0.50 0.00 H new ATOM 0 HG1 THR A 65 -4.090 -38.781 -7.010 0.50 0.00 H new ATOM 0 HG21 THR A 65 -2.025 -39.817 -7.723 0.50 0.00 H new ATOM 0 HG22 THR A 65 -0.894 -38.782 -8.627 0.50 0.00 H new ATOM 0 HG23 THR A 65 -1.156 -38.508 -6.888 0.50 0.00 H new ATOM 990 N GLY A 66 -0.666 -35.197 -9.693 0.50 0.00 N ATOM 991 CA GLY A 66 0.221 -35.024 -10.880 0.50 0.00 C ATOM 992 C GLY A 66 1.654 -34.757 -10.413 0.50 0.00 C ATOM 993 O GLY A 66 2.502 -35.626 -10.458 0.50 0.00 O ATOM 0 H GLY A 66 -0.702 -34.399 -9.059 0.50 0.00 H new ATOM 0 HA2 GLY A 66 0.191 -35.918 -11.503 0.50 0.00 H new ATOM 0 HA3 GLY A 66 -0.133 -34.196 -11.494 0.50 0.00 H new ATOM 997 N ASP A 67 1.928 -33.562 -9.965 0.50 0.00 N ATOM 998 CA ASP A 67 3.306 -33.236 -9.495 0.50 0.00 C ATOM 999 C ASP A 67 3.302 -31.922 -8.709 0.50 0.00 C ATOM 1000 O ASP A 67 2.691 -30.951 -9.110 0.50 0.00 O ATOM 1001 CB ASP A 67 4.136 -33.096 -10.771 0.50 0.00 C ATOM 1002 CG ASP A 67 5.612 -32.930 -10.405 0.50 0.00 C ATOM 1003 OD1 ASP A 67 5.915 -32.030 -9.639 0.50 0.00 O ATOM 1004 OD2 ASP A 67 6.415 -33.706 -10.897 0.50 0.00 O ATOM 0 H ASP A 67 1.257 -32.796 -9.904 0.50 0.00 H new ATOM 0 HA ASP A 67 3.707 -34.001 -8.830 0.50 0.00 H new ATOM 0 HB2 ASP A 67 4.004 -33.975 -11.402 0.50 0.00 H new ATOM 0 HB3 ASP A 67 3.794 -32.236 -11.347 0.50 0.00 H new ATOM 1009 N SER A 68 3.980 -31.885 -7.593 0.50 0.00 N ATOM 1010 CA SER A 68 4.018 -30.633 -6.782 0.50 0.00 C ATOM 1011 C SER A 68 5.027 -29.647 -7.377 0.50 0.00 C ATOM 1012 O SER A 68 6.103 -29.451 -6.849 0.50 0.00 O ATOM 1013 CB SER A 68 4.459 -31.077 -5.387 0.50 0.00 C ATOM 1014 OG SER A 68 5.688 -31.786 -5.487 0.50 0.00 O ATOM 0 H SER A 68 4.509 -32.667 -7.208 0.50 0.00 H new ATOM 0 HA SER A 68 3.054 -30.125 -6.761 0.50 0.00 H new ATOM 0 HB2 SER A 68 4.578 -30.210 -4.737 0.50 0.00 H new ATOM 0 HB3 SER A 68 3.696 -31.711 -4.936 0.50 0.00 H new ATOM 0 HG SER A 68 6.345 -31.237 -5.964 0.50 0.00 H new ATOM 1020 N ASP A 69 4.685 -29.027 -8.476 0.50 0.00 N ATOM 1021 CA ASP A 69 5.624 -28.055 -9.109 0.50 0.00 C ATOM 1022 C ASP A 69 5.703 -26.775 -8.274 0.50 0.00 C ATOM 1023 O ASP A 69 4.698 -26.228 -7.862 0.50 0.00 O ATOM 1024 CB ASP A 69 5.025 -27.761 -10.485 0.50 0.00 C ATOM 1025 CG ASP A 69 5.172 -28.993 -11.380 0.50 0.00 C ATOM 1026 OD1 ASP A 69 6.283 -29.266 -11.800 0.50 0.00 O ATOM 1027 OD2 ASP A 69 4.169 -29.643 -11.629 0.50 0.00 O ATOM 0 H ASP A 69 3.797 -29.152 -8.962 0.50 0.00 H new ATOM 0 HA ASP A 69 6.637 -28.450 -9.182 0.50 0.00 H new ATOM 0 HB2 ASP A 69 3.973 -27.494 -10.386 0.50 0.00 H new ATOM 0 HB3 ASP A 69 5.529 -26.907 -10.938 0.50 0.00 H new ATOM 1032 N GLU A 70 6.891 -26.291 -8.023 0.50 0.00 N ATOM 1033 CA GLU A 70 7.037 -25.044 -7.216 0.50 0.00 C ATOM 1034 C GLU A 70 6.370 -23.869 -7.934 0.50 0.00 C ATOM 1035 O GLU A 70 5.619 -24.049 -8.874 0.50 0.00 O ATOM 1036 CB GLU A 70 8.547 -24.815 -7.097 0.50 0.00 C ATOM 1037 CG GLU A 70 9.166 -24.706 -8.495 0.50 0.00 C ATOM 1038 CD GLU A 70 10.125 -23.514 -8.541 0.50 0.00 C ATOM 1039 OE1 GLU A 70 9.702 -22.426 -8.184 0.50 0.00 O ATOM 1040 OE2 GLU A 70 11.264 -23.709 -8.933 0.50 0.00 O ATOM 0 H GLU A 70 7.767 -26.706 -8.342 0.50 0.00 H new ATOM 0 HA GLU A 70 6.563 -25.130 -6.238 0.50 0.00 H new ATOM 0 HB2 GLU A 70 8.743 -23.905 -6.530 0.50 0.00 H new ATOM 0 HB3 GLU A 70 9.007 -25.637 -6.548 0.50 0.00 H new ATOM 0 HG2 GLU A 70 9.700 -25.624 -8.740 0.50 0.00 H new ATOM 0 HG3 GLU A 70 8.382 -24.584 -9.242 0.50 0.00 H new ATOM 1047 N TRP A 71 6.638 -22.667 -7.499 0.50 0.00 N ATOM 1048 CA TRP A 71 6.021 -21.478 -8.156 0.50 0.00 C ATOM 1049 C TRP A 71 6.995 -20.864 -9.164 0.50 0.00 C ATOM 1050 O TRP A 71 7.910 -20.150 -8.801 0.50 0.00 O ATOM 1051 CB TRP A 71 5.738 -20.499 -7.021 0.50 0.00 C ATOM 1052 CG TRP A 71 4.972 -19.342 -7.559 0.50 0.00 C ATOM 1053 CD1 TRP A 71 5.482 -18.113 -7.781 0.50 0.00 C ATOM 1054 CD2 TRP A 71 3.573 -19.286 -7.952 0.50 0.00 C ATOM 1055 NE1 TRP A 71 4.482 -17.299 -8.281 0.50 0.00 N ATOM 1056 CE2 TRP A 71 3.287 -17.978 -8.406 0.50 0.00 C ATOM 1057 CE3 TRP A 71 2.535 -20.233 -7.957 0.50 0.00 C ATOM 1058 CZ2 TRP A 71 2.016 -17.623 -8.848 0.50 0.00 C ATOM 1059 CZ3 TRP A 71 1.253 -19.879 -8.404 0.50 0.00 C ATOM 1060 CH2 TRP A 71 0.993 -18.575 -8.849 0.50 0.00 C ATOM 0 H TRP A 71 7.258 -22.457 -6.717 0.50 0.00 H new ATOM 0 HA TRP A 71 5.116 -21.736 -8.706 0.50 0.00 H new ATOM 0 HB2 TRP A 71 5.171 -20.992 -6.231 0.50 0.00 H new ATOM 0 HB3 TRP A 71 6.673 -20.158 -6.576 0.50 0.00 H new ATOM 0 HD1 TRP A 71 6.504 -17.814 -7.598 0.50 0.00 H new ATOM 0 HE1 TRP A 71 4.612 -16.318 -8.527 0.50 0.00 H new ATOM 0 HE3 TRP A 71 2.725 -21.240 -7.615 0.50 0.00 H new ATOM 0 HZ2 TRP A 71 1.821 -16.617 -9.189 0.50 0.00 H new ATOM 0 HZ3 TRP A 71 0.462 -20.615 -8.405 0.50 0.00 H new ATOM 0 HH2 TRP A 71 0.005 -18.307 -9.192 0.50 0.00 H new ATOM 1071 N VAL A 72 6.802 -21.134 -10.427 0.50 0.00 N ATOM 1072 CA VAL A 72 7.714 -20.566 -11.464 0.50 0.00 C ATOM 1073 C VAL A 72 7.653 -19.036 -11.439 0.50 0.00 C ATOM 1074 O VAL A 72 6.801 -18.448 -10.804 0.50 0.00 O ATOM 1075 CB VAL A 72 7.191 -21.108 -12.799 0.50 0.00 C ATOM 1076 CG1 VAL A 72 5.723 -20.714 -12.980 0.50 0.00 C ATOM 1077 CG2 VAL A 72 8.016 -20.529 -13.951 0.50 0.00 C ATOM 0 H VAL A 72 6.052 -21.724 -10.787 0.50 0.00 H new ATOM 0 HA VAL A 72 8.754 -20.844 -11.296 0.50 0.00 H new ATOM 0 HB VAL A 72 7.278 -22.195 -12.799 0.50 0.00 H new ATOM 0 HG11 VAL A 72 5.357 -21.102 -13.931 0.50 0.00 H new ATOM 0 HG12 VAL A 72 5.131 -21.131 -12.165 0.50 0.00 H new ATOM 0 HG13 VAL A 72 5.634 -19.628 -12.973 0.50 0.00 H new ATOM 0 HG21 VAL A 72 7.641 -20.917 -14.898 0.50 0.00 H new ATOM 0 HG22 VAL A 72 7.935 -19.442 -13.946 0.50 0.00 H new ATOM 0 HG23 VAL A 72 9.061 -20.815 -13.830 0.50 0.00 H new ATOM 1087 N PHE A 73 8.554 -18.394 -12.129 0.50 0.00 N ATOM 1088 CA PHE A 73 8.558 -16.902 -12.153 0.50 0.00 C ATOM 1089 C PHE A 73 7.864 -16.392 -13.418 0.50 0.00 C ATOM 1090 O PHE A 73 6.880 -15.683 -13.354 0.50 0.00 O ATOM 1091 CB PHE A 73 10.036 -16.511 -12.156 0.50 0.00 C ATOM 1092 CG PHE A 73 10.221 -15.235 -11.368 0.50 0.00 C ATOM 1093 CD1 PHE A 73 10.291 -15.280 -9.971 0.50 0.00 C ATOM 1094 CD2 PHE A 73 10.323 -14.009 -12.036 0.50 0.00 C ATOM 1095 CE1 PHE A 73 10.464 -14.099 -9.241 0.50 0.00 C ATOM 1096 CE2 PHE A 73 10.496 -12.828 -11.305 0.50 0.00 C ATOM 1097 CZ PHE A 73 10.566 -12.872 -9.907 0.50 0.00 C ATOM 0 H PHE A 73 9.290 -18.838 -12.679 0.50 0.00 H new ATOM 0 HA PHE A 73 8.025 -16.473 -11.305 0.50 0.00 H new ATOM 0 HB2 PHE A 73 10.636 -17.310 -11.720 0.50 0.00 H new ATOM 0 HB3 PHE A 73 10.385 -16.373 -13.179 0.50 0.00 H new ATOM 0 HD1 PHE A 73 10.211 -16.226 -9.456 0.50 0.00 H new ATOM 0 HD2 PHE A 73 10.268 -13.974 -13.114 0.50 0.00 H new ATOM 0 HE1 PHE A 73 10.519 -14.134 -8.163 0.50 0.00 H new ATOM 0 HE2 PHE A 73 10.576 -11.882 -11.820 0.50 0.00 H new ATOM 0 HZ PHE A 73 10.699 -11.960 -9.343 0.50 0.00 H new ATOM 1107 N ASP A 74 8.374 -16.750 -14.570 0.50 0.00 N ATOM 1108 CA ASP A 74 7.749 -16.289 -15.847 0.50 0.00 C ATOM 1109 C ASP A 74 7.583 -14.766 -15.844 0.50 0.00 C ATOM 1110 O ASP A 74 8.108 -14.077 -14.992 0.50 0.00 O ATOM 1111 CB ASP A 74 6.384 -16.978 -15.899 0.50 0.00 C ATOM 1112 CG ASP A 74 6.041 -17.327 -17.348 0.50 0.00 C ATOM 1113 OD1 ASP A 74 6.805 -18.058 -17.957 0.50 0.00 O ATOM 1114 OD2 ASP A 74 5.022 -16.857 -17.825 0.50 0.00 O ATOM 0 H ASP A 74 9.197 -17.342 -14.681 0.50 0.00 H new ATOM 0 HA ASP A 74 8.362 -16.537 -16.713 0.50 0.00 H new ATOM 0 HB2 ASP A 74 6.398 -17.882 -15.290 0.50 0.00 H new ATOM 0 HB3 ASP A 74 5.619 -16.324 -15.481 0.50 0.00 H new ATOM 1119 N LYS A 75 6.854 -14.238 -16.792 0.50 0.00 N ATOM 1120 CA LYS A 75 6.654 -12.759 -16.845 0.50 0.00 C ATOM 1121 C LYS A 75 5.900 -12.283 -15.599 0.50 0.00 C ATOM 1122 O LYS A 75 4.685 -12.250 -15.573 0.50 0.00 O ATOM 1123 CB LYS A 75 5.819 -12.511 -18.106 0.50 0.00 C ATOM 1124 CG LYS A 75 6.651 -11.731 -19.126 0.50 0.00 C ATOM 1125 CD LYS A 75 6.555 -10.234 -18.825 0.50 0.00 C ATOM 1126 CE LYS A 75 5.438 -9.611 -19.667 0.50 0.00 C ATOM 1127 NZ LYS A 75 4.717 -8.698 -18.738 0.50 0.00 N ATOM 0 H LYS A 75 6.389 -14.766 -17.531 0.50 0.00 H new ATOM 0 HA LYS A 75 7.599 -12.217 -16.872 0.50 0.00 H new ATOM 0 HB2 LYS A 75 5.497 -13.460 -18.534 0.50 0.00 H new ATOM 0 HB3 LYS A 75 4.917 -11.953 -17.854 0.50 0.00 H new ATOM 0 HG2 LYS A 75 7.691 -12.055 -19.087 0.50 0.00 H new ATOM 0 HG3 LYS A 75 6.292 -11.934 -20.135 0.50 0.00 H new ATOM 0 HD2 LYS A 75 6.355 -10.078 -17.765 0.50 0.00 H new ATOM 0 HD3 LYS A 75 7.505 -9.747 -19.045 0.50 0.00 H new ATOM 0 HE2 LYS A 75 5.844 -9.066 -20.520 0.50 0.00 H new ATOM 0 HE3 LYS A 75 4.771 -10.376 -20.065 0.50 0.00 H new ATOM 0 HZ1 LYS A 75 3.936 -8.234 -19.244 0.50 0.00 H new ATOM 0 HZ2 LYS A 75 4.336 -9.245 -17.940 0.50 0.00 H new ATOM 0 HZ3 LYS A 75 5.375 -7.976 -18.380 0.50 0.00 H new ATOM 1141 N LYS A 76 6.613 -11.913 -14.569 0.50 0.00 N ATOM 1142 CA LYS A 76 5.937 -11.437 -13.326 0.50 0.00 C ATOM 1143 C LYS A 76 5.153 -10.153 -13.614 0.50 0.00 C ATOM 1144 O LYS A 76 5.569 -9.325 -14.401 0.50 0.00 O ATOM 1145 CB LYS A 76 7.069 -11.164 -12.330 0.50 0.00 C ATOM 1146 CG LYS A 76 6.832 -11.967 -11.049 0.50 0.00 C ATOM 1147 CD LYS A 76 7.503 -11.260 -9.870 0.50 0.00 C ATOM 1148 CE LYS A 76 7.494 -12.182 -8.647 0.50 0.00 C ATOM 1149 NZ LYS A 76 7.214 -11.285 -7.491 0.50 0.00 N ATOM 0 H LYS A 76 7.632 -11.919 -14.534 0.50 0.00 H new ATOM 0 HA LYS A 76 5.226 -12.167 -12.938 0.50 0.00 H new ATOM 0 HB2 LYS A 76 8.028 -11.438 -12.770 0.50 0.00 H new ATOM 0 HB3 LYS A 76 7.116 -10.100 -12.100 0.50 0.00 H new ATOM 0 HG2 LYS A 76 5.763 -12.069 -10.864 0.50 0.00 H new ATOM 0 HG3 LYS A 76 7.234 -12.974 -11.159 0.50 0.00 H new ATOM 0 HD2 LYS A 76 8.527 -10.992 -10.129 0.50 0.00 H new ATOM 0 HD3 LYS A 76 6.978 -10.332 -9.643 0.50 0.00 H new ATOM 0 HE2 LYS A 76 6.731 -12.955 -8.741 0.50 0.00 H new ATOM 0 HE3 LYS A 76 8.451 -12.691 -8.529 0.50 0.00 H new ATOM 0 HZ1 LYS A 76 7.192 -11.845 -6.615 0.50 0.00 H new ATOM 0 HZ2 LYS A 76 7.960 -10.564 -7.423 0.50 0.00 H new ATOM 0 HZ3 LYS A 76 6.294 -10.820 -7.628 0.50 0.00 H new ATOM 1163 N LEU A 77 4.021 -9.985 -12.985 0.50 0.00 N ATOM 1164 CA LEU A 77 3.208 -8.755 -13.223 0.50 0.00 C ATOM 1165 C LEU A 77 3.277 -7.830 -12.005 0.50 0.00 C ATOM 1166 O LEU A 77 3.775 -8.200 -10.961 0.50 0.00 O ATOM 1167 CB LEU A 77 1.781 -9.260 -13.435 0.50 0.00 C ATOM 1168 CG LEU A 77 1.115 -8.458 -14.553 0.50 0.00 C ATOM 1169 CD1 LEU A 77 1.747 -8.832 -15.896 0.50 0.00 C ATOM 1170 CD2 LEU A 77 -0.381 -8.778 -14.588 0.50 0.00 C ATOM 0 H LEU A 77 3.623 -10.645 -12.317 0.50 0.00 H new ATOM 0 HA LEU A 77 3.568 -8.180 -14.076 0.50 0.00 H new ATOM 0 HB2 LEU A 77 1.794 -10.319 -13.691 0.50 0.00 H new ATOM 0 HB3 LEU A 77 1.209 -9.162 -12.513 0.50 0.00 H new ATOM 0 HG LEU A 77 1.256 -7.393 -14.369 0.50 0.00 H new ATOM 0 HD11 LEU A 77 1.272 -8.260 -16.693 0.50 0.00 H new ATOM 0 HD12 LEU A 77 2.813 -8.605 -15.872 0.50 0.00 H new ATOM 0 HD13 LEU A 77 1.607 -9.897 -16.080 0.50 0.00 H new ATOM 0 HD21 LEU A 77 -0.857 -8.207 -15.385 0.50 0.00 H new ATOM 0 HD22 LEU A 77 -0.521 -9.843 -14.772 0.50 0.00 H new ATOM 0 HD23 LEU A 77 -0.832 -8.513 -13.632 0.50 0.00 H new ATOM 1182 N LEU A 78 2.779 -6.630 -12.134 0.50 0.00 N ATOM 1183 CA LEU A 78 2.812 -5.678 -10.984 0.50 0.00 C ATOM 1184 C LEU A 78 1.490 -4.912 -10.891 0.50 0.00 C ATOM 1185 O LEU A 78 1.470 -3.708 -10.723 0.50 0.00 O ATOM 1186 CB LEU A 78 3.970 -4.723 -11.290 0.50 0.00 C ATOM 1187 CG LEU A 78 3.723 -4.015 -12.628 0.50 0.00 C ATOM 1188 CD1 LEU A 78 3.963 -2.512 -12.466 0.50 0.00 C ATOM 1189 CD2 LEU A 78 4.681 -4.571 -13.684 0.50 0.00 C ATOM 0 H LEU A 78 2.351 -6.267 -12.985 0.50 0.00 H new ATOM 0 HA LEU A 78 2.948 -6.188 -10.030 0.50 0.00 H new ATOM 0 HB2 LEU A 78 4.067 -3.987 -10.492 0.50 0.00 H new ATOM 0 HB3 LEU A 78 4.908 -5.276 -11.329 0.50 0.00 H new ATOM 0 HG LEU A 78 2.693 -4.186 -12.942 0.50 0.00 H new ATOM 0 HD11 LEU A 78 3.787 -2.011 -13.418 0.50 0.00 H new ATOM 0 HD12 LEU A 78 3.281 -2.114 -11.715 0.50 0.00 H new ATOM 0 HD13 LEU A 78 4.992 -2.340 -12.150 0.50 0.00 H new ATOM 0 HD21 LEU A 78 4.506 -4.068 -14.635 0.50 0.00 H new ATOM 0 HD22 LEU A 78 5.710 -4.400 -13.368 0.50 0.00 H new ATOM 0 HD23 LEU A 78 4.510 -5.641 -13.803 0.50 0.00 H new ATOM 1201 N CYS A 79 0.385 -5.601 -11.001 0.50 0.00 N ATOM 1202 CA CYS A 79 -0.937 -4.914 -10.920 0.50 0.00 C ATOM 1203 C CYS A 79 -2.011 -5.886 -10.424 0.50 0.00 C ATOM 1204 O CYS A 79 -2.213 -6.943 -10.989 0.50 0.00 O ATOM 1205 CB CYS A 79 -1.238 -4.466 -12.351 0.50 0.00 C ATOM 1206 SG CYS A 79 -0.601 -2.792 -12.607 0.50 0.00 S ATOM 0 H CYS A 79 0.341 -6.610 -11.143 0.50 0.00 H new ATOM 0 HA CYS A 79 -0.924 -4.075 -10.224 0.50 0.00 H new ATOM 0 HB2 CYS A 79 -0.780 -5.153 -13.062 0.50 0.00 H new ATOM 0 HB3 CYS A 79 -2.313 -4.489 -12.532 0.50 0.00 H new ATOM 0 HG CYS A 79 0.499 -2.639 -11.932 0.50 0.00 H new ATOM 1212 N GLU A 80 -2.704 -5.534 -9.373 0.50 0.00 N ATOM 1213 CA GLU A 80 -3.767 -6.436 -8.840 0.50 0.00 C ATOM 1214 C GLU A 80 -4.864 -6.640 -9.889 0.50 0.00 C ATOM 1215 O GLU A 80 -5.109 -7.744 -10.337 0.50 0.00 O ATOM 1216 CB GLU A 80 -4.325 -5.713 -7.613 0.50 0.00 C ATOM 1217 CG GLU A 80 -5.360 -6.603 -6.921 0.50 0.00 C ATOM 1218 CD GLU A 80 -4.646 -7.732 -6.176 0.50 0.00 C ATOM 1219 OE1 GLU A 80 -3.813 -7.429 -5.338 0.50 0.00 O ATOM 1220 OE2 GLU A 80 -4.944 -8.882 -6.455 0.50 0.00 O ATOM 0 H GLU A 80 -2.580 -4.661 -8.861 0.50 0.00 H new ATOM 0 HA GLU A 80 -3.381 -7.424 -8.589 0.50 0.00 H new ATOM 0 HB2 GLU A 80 -3.517 -5.472 -6.922 0.50 0.00 H new ATOM 0 HB3 GLU A 80 -4.782 -4.769 -7.911 0.50 0.00 H new ATOM 0 HG2 GLU A 80 -5.955 -6.013 -6.224 0.50 0.00 H new ATOM 0 HG3 GLU A 80 -6.049 -7.017 -7.657 0.50 0.00 H new ATOM 1227 N THR A 81 -5.528 -5.585 -10.281 0.50 0.00 N ATOM 1228 CA THR A 81 -6.610 -5.717 -11.299 0.50 0.00 C ATOM 1229 C THR A 81 -6.020 -5.641 -12.710 0.50 0.00 C ATOM 1230 O THR A 81 -4.824 -5.514 -12.886 0.50 0.00 O ATOM 1231 CB THR A 81 -7.544 -4.530 -11.044 0.50 0.00 C ATOM 1232 OG1 THR A 81 -7.455 -4.134 -9.682 0.50 0.00 O ATOM 1233 CG2 THR A 81 -8.984 -4.933 -11.362 0.50 0.00 C ATOM 0 H THR A 81 -5.367 -4.637 -9.940 0.50 0.00 H new ATOM 0 HA THR A 81 -7.133 -6.670 -11.223 0.50 0.00 H new ATOM 0 HB THR A 81 -7.249 -3.698 -11.683 0.50 0.00 H new ATOM 0 HG1 THR A 81 -8.249 -3.613 -9.440 0.50 0.00 H new ATOM 0 HG21 THR A 81 -9.647 -4.087 -11.180 0.50 0.00 H new ATOM 0 HG22 THR A 81 -9.056 -5.232 -12.408 0.50 0.00 H new ATOM 0 HG23 THR A 81 -9.277 -5.768 -10.725 0.50 0.00 H new ATOM 1241 N GLU A 82 -6.850 -5.717 -13.717 0.50 0.00 N ATOM 1242 CA GLU A 82 -6.338 -5.648 -15.117 0.50 0.00 C ATOM 1243 C GLU A 82 -5.665 -4.296 -15.367 0.50 0.00 C ATOM 1244 O GLU A 82 -4.727 -4.191 -16.133 0.50 0.00 O ATOM 1245 CB GLU A 82 -7.574 -5.803 -16.004 0.50 0.00 C ATOM 1246 CG GLU A 82 -7.148 -6.252 -17.403 0.50 0.00 C ATOM 1247 CD GLU A 82 -8.052 -5.597 -18.449 0.50 0.00 C ATOM 1248 OE1 GLU A 82 -7.988 -4.386 -18.584 0.50 0.00 O ATOM 1249 OE2 GLU A 82 -8.793 -6.317 -19.098 0.50 0.00 O ATOM 0 H GLU A 82 -7.861 -5.824 -13.630 0.50 0.00 H new ATOM 0 HA GLU A 82 -5.593 -6.418 -15.321 0.50 0.00 H new ATOM 0 HB2 GLU A 82 -8.257 -6.533 -15.569 0.50 0.00 H new ATOM 0 HB3 GLU A 82 -8.113 -4.857 -16.063 0.50 0.00 H new ATOM 0 HG2 GLU A 82 -6.108 -5.978 -17.583 0.50 0.00 H new ATOM 0 HG3 GLU A 82 -7.210 -7.337 -17.482 0.50 0.00 H new ATOM 1256 N GLY A 83 -6.138 -3.261 -14.725 0.50 0.00 N ATOM 1257 CA GLY A 83 -5.529 -1.915 -14.924 0.50 0.00 C ATOM 1258 C GLY A 83 -6.231 -0.899 -14.022 0.50 0.00 C ATOM 1259 O GLY A 83 -6.467 0.230 -14.407 0.50 0.00 O ATOM 0 H GLY A 83 -6.920 -3.290 -14.071 0.50 0.00 H new ATOM 0 HA2 GLY A 83 -4.464 -1.948 -14.693 0.50 0.00 H new ATOM 0 HA3 GLY A 83 -5.619 -1.614 -15.968 0.50 0.00 H new ATOM 1263 N ARG A 84 -6.564 -1.290 -12.821 0.50 0.00 N ATOM 1264 CA ARG A 84 -7.250 -0.347 -11.889 0.50 0.00 C ATOM 1265 C ARG A 84 -6.240 0.232 -10.897 0.50 0.00 C ATOM 1266 O ARG A 84 -6.135 1.432 -10.730 0.50 0.00 O ATOM 1267 CB ARG A 84 -8.294 -1.195 -11.162 0.50 0.00 C ATOM 1268 CG ARG A 84 -9.481 -0.314 -10.767 0.50 0.00 C ATOM 1269 CD ARG A 84 -10.764 -1.148 -10.785 0.50 0.00 C ATOM 1270 NE ARG A 84 -11.667 -0.487 -9.803 0.50 0.00 N ATOM 1271 CZ ARG A 84 -12.161 -1.170 -8.808 0.50 0.00 C ATOM 1272 NH1 ARG A 84 -13.432 -1.469 -8.789 0.50 0.00 N ATOM 1273 NH2 ARG A 84 -11.387 -1.556 -7.831 0.50 0.00 N ATOM 0 H ARG A 84 -6.391 -2.222 -12.444 0.50 0.00 H new ATOM 0 HA ARG A 84 -7.706 0.495 -12.410 0.50 0.00 H new ATOM 0 HB2 ARG A 84 -8.629 -2.009 -11.805 0.50 0.00 H new ATOM 0 HB3 ARG A 84 -7.854 -1.651 -10.275 0.50 0.00 H new ATOM 0 HG2 ARG A 84 -9.321 0.106 -9.774 0.50 0.00 H new ATOM 0 HG3 ARG A 84 -9.570 0.525 -11.457 0.50 0.00 H new ATOM 0 HD2 ARG A 84 -11.209 -1.166 -11.780 0.50 0.00 H new ATOM 0 HD3 ARG A 84 -10.566 -2.183 -10.505 0.50 0.00 H new ATOM 0 HE ARG A 84 -11.899 0.501 -9.909 0.50 0.00 H new ATOM 0 HH11 ARG A 84 -14.038 -1.168 -9.552 0.50 0.00 H new ATOM 0 HH12 ARG A 84 -13.819 -2.003 -8.011 0.50 0.00 H new ATOM 0 HH21 ARG A 84 -10.394 -1.324 -7.845 0.50 0.00 H new ATOM 0 HH22 ARG A 84 -11.775 -2.090 -7.053 0.50 0.00 H new ATOM 1287 N VAL A 85 -5.493 -0.614 -10.239 0.50 0.00 N ATOM 1288 CA VAL A 85 -4.485 -0.118 -9.258 0.50 0.00 C ATOM 1289 C VAL A 85 -3.399 0.682 -9.986 0.50 0.00 C ATOM 1290 O VAL A 85 -2.927 0.292 -11.036 0.50 0.00 O ATOM 1291 CB VAL A 85 -3.896 -1.381 -8.620 0.50 0.00 C ATOM 1292 CG1 VAL A 85 -3.273 -2.269 -9.703 0.50 0.00 C ATOM 1293 CG2 VAL A 85 -2.823 -0.984 -7.602 0.50 0.00 C ATOM 0 H VAL A 85 -5.538 -1.628 -10.339 0.50 0.00 H new ATOM 0 HA VAL A 85 -4.920 0.545 -8.510 0.50 0.00 H new ATOM 0 HB VAL A 85 -4.689 -1.934 -8.117 0.50 0.00 H new ATOM 0 HG11 VAL A 85 -2.856 -3.165 -9.243 0.50 0.00 H new ATOM 0 HG12 VAL A 85 -4.039 -2.554 -10.425 0.50 0.00 H new ATOM 0 HG13 VAL A 85 -2.481 -1.720 -10.212 0.50 0.00 H new ATOM 0 HG21 VAL A 85 -2.403 -1.881 -7.147 0.50 0.00 H new ATOM 0 HG22 VAL A 85 -2.032 -0.428 -8.105 0.50 0.00 H new ATOM 0 HG23 VAL A 85 -3.269 -0.360 -6.828 0.50 0.00 H new ATOM 1303 N ARG A 86 -3.004 1.801 -9.439 0.50 0.00 N ATOM 1304 CA ARG A 86 -1.954 2.626 -10.103 0.50 0.00 C ATOM 1305 C ARG A 86 -0.835 2.963 -9.112 0.50 0.00 C ATOM 1306 O ARG A 86 -0.980 3.821 -8.265 0.50 0.00 O ATOM 1307 CB ARG A 86 -2.677 3.899 -10.553 0.50 0.00 C ATOM 1308 CG ARG A 86 -2.561 4.047 -12.071 0.50 0.00 C ATOM 1309 CD ARG A 86 -3.558 3.109 -12.756 0.50 0.00 C ATOM 1310 NE ARG A 86 -3.095 3.016 -14.169 0.50 0.00 N ATOM 1311 CZ ARG A 86 -3.815 2.378 -15.051 0.50 0.00 C ATOM 1312 NH1 ARG A 86 -3.345 1.302 -15.622 0.50 0.00 N ATOM 1313 NH2 ARG A 86 -5.005 2.815 -15.361 0.50 0.00 N ATOM 0 H ARG A 86 -3.363 2.179 -8.562 0.50 0.00 H new ATOM 0 HA ARG A 86 -1.487 2.105 -10.939 0.50 0.00 H new ATOM 0 HB2 ARG A 86 -3.726 3.856 -10.261 0.50 0.00 H new ATOM 0 HB3 ARG A 86 -2.244 4.769 -10.059 0.50 0.00 H new ATOM 0 HG2 ARG A 86 -2.758 5.079 -12.362 0.50 0.00 H new ATOM 0 HG3 ARG A 86 -1.546 3.813 -12.393 0.50 0.00 H new ATOM 0 HD2 ARG A 86 -3.569 2.129 -12.279 0.50 0.00 H new ATOM 0 HD3 ARG A 86 -4.573 3.502 -12.699 0.50 0.00 H new ATOM 0 HE ARG A 86 -2.215 3.451 -14.447 0.50 0.00 H new ATOM 0 HH11 ARG A 86 -2.415 0.960 -15.379 0.50 0.00 H new ATOM 0 HH12 ARG A 86 -3.908 0.803 -16.311 0.50 0.00 H new ATOM 0 HH21 ARG A 86 -5.372 3.655 -14.914 0.50 0.00 H new ATOM 0 HH22 ARG A 86 -5.568 2.316 -16.050 0.50 0.00 H new ATOM 1327 N VAL A 87 0.282 2.294 -9.217 0.50 0.00 N ATOM 1328 CA VAL A 87 1.416 2.573 -8.286 0.50 0.00 C ATOM 1329 C VAL A 87 2.710 2.771 -9.083 0.50 0.00 C ATOM 1330 O VAL A 87 3.297 1.826 -9.573 0.50 0.00 O ATOM 1331 CB VAL A 87 1.513 1.332 -7.397 0.50 0.00 C ATOM 1332 CG1 VAL A 87 2.678 1.491 -6.417 0.50 0.00 C ATOM 1333 CG2 VAL A 87 0.209 1.164 -6.612 0.50 0.00 C ATOM 0 H VAL A 87 0.459 1.565 -9.908 0.50 0.00 H new ATOM 0 HA VAL A 87 1.261 3.479 -7.700 0.50 0.00 H new ATOM 0 HB VAL A 87 1.681 0.454 -8.020 0.50 0.00 H new ATOM 0 HG11 VAL A 87 2.745 0.606 -5.785 0.50 0.00 H new ATOM 0 HG12 VAL A 87 3.608 1.611 -6.973 0.50 0.00 H new ATOM 0 HG13 VAL A 87 2.512 2.370 -5.794 0.50 0.00 H new ATOM 0 HG21 VAL A 87 0.277 0.280 -5.978 0.50 0.00 H new ATOM 0 HG22 VAL A 87 0.042 2.044 -5.991 0.50 0.00 H new ATOM 0 HG23 VAL A 87 -0.622 1.048 -7.308 0.50 0.00 H new ATOM 1343 N GLU A 88 3.154 3.993 -9.218 0.50 0.00 N ATOM 1344 CA GLU A 88 4.407 4.251 -9.987 0.50 0.00 C ATOM 1345 C GLU A 88 5.287 5.267 -9.252 0.50 0.00 C ATOM 1346 O GLU A 88 4.873 6.378 -8.981 0.50 0.00 O ATOM 1347 CB GLU A 88 3.938 4.823 -11.326 0.50 0.00 C ATOM 1348 CG GLU A 88 3.125 3.767 -12.079 0.50 0.00 C ATOM 1349 CD GLU A 88 2.527 4.388 -13.343 0.50 0.00 C ATOM 1350 OE1 GLU A 88 1.872 5.411 -13.223 0.50 0.00 O ATOM 1351 OE2 GLU A 88 2.735 3.832 -14.408 0.50 0.00 O ATOM 0 H GLU A 88 2.704 4.822 -8.830 0.50 0.00 H new ATOM 0 HA GLU A 88 5.004 3.348 -10.112 0.50 0.00 H new ATOM 0 HB2 GLU A 88 3.331 5.713 -11.160 0.50 0.00 H new ATOM 0 HB3 GLU A 88 4.797 5.129 -11.923 0.50 0.00 H new ATOM 0 HG2 GLU A 88 3.762 2.922 -12.342 0.50 0.00 H new ATOM 0 HG3 GLU A 88 2.331 3.381 -11.440 0.50 0.00 H new ATOM 1358 N THR A 89 6.499 4.897 -8.935 0.50 0.00 N ATOM 1359 CA THR A 89 7.411 5.841 -8.225 0.50 0.00 C ATOM 1360 C THR A 89 8.223 6.644 -9.246 0.50 0.00 C ATOM 1361 O THR A 89 8.810 6.092 -10.157 0.50 0.00 O ATOM 1362 CB THR A 89 8.329 4.949 -7.382 0.50 0.00 C ATOM 1363 OG1 THR A 89 7.552 4.260 -6.411 0.50 0.00 O ATOM 1364 CG2 THR A 89 9.386 5.805 -6.675 0.50 0.00 C ATOM 0 H THR A 89 6.898 3.980 -9.137 0.50 0.00 H new ATOM 0 HA THR A 89 6.872 6.560 -7.608 0.50 0.00 H new ATOM 0 HB THR A 89 8.828 4.231 -8.033 0.50 0.00 H new ATOM 0 HG1 THR A 89 7.642 3.293 -6.546 0.50 0.00 H new ATOM 0 HG21 THR A 89 10.034 5.163 -6.078 0.50 0.00 H new ATOM 0 HG22 THR A 89 9.983 6.333 -7.418 0.50 0.00 H new ATOM 0 HG23 THR A 89 8.893 6.528 -6.025 0.50 0.00 H new ATOM 1372 N THR A 90 8.261 7.942 -9.102 0.50 0.00 N ATOM 1373 CA THR A 90 9.036 8.775 -10.068 0.50 0.00 C ATOM 1374 C THR A 90 10.538 8.660 -9.786 0.50 0.00 C ATOM 1375 O THR A 90 10.977 7.807 -9.040 0.50 0.00 O ATOM 1376 CB THR A 90 8.548 10.209 -9.846 0.50 0.00 C ATOM 1377 OG1 THR A 90 9.221 11.077 -10.748 0.50 0.00 O ATOM 1378 CG2 THR A 90 8.840 10.639 -8.410 0.50 0.00 C ATOM 0 H THR A 90 7.791 8.460 -8.360 0.50 0.00 H new ATOM 0 HA THR A 90 8.886 8.454 -11.099 0.50 0.00 H new ATOM 0 HB THR A 90 7.473 10.257 -10.022 0.50 0.00 H new ATOM 0 HG1 THR A 90 8.910 11.996 -10.611 0.50 0.00 H new ATOM 0 HG21 THR A 90 8.491 11.660 -8.258 0.50 0.00 H new ATOM 0 HG22 THR A 90 8.325 9.972 -7.719 0.50 0.00 H new ATOM 0 HG23 THR A 90 9.914 10.592 -8.227 0.50 0.00 H new ATOM 1386 N LYS A 91 11.325 9.510 -10.387 0.50 0.00 N ATOM 1387 CA LYS A 91 12.803 9.454 -10.176 0.50 0.00 C ATOM 1388 C LYS A 91 13.160 9.535 -8.687 0.50 0.00 C ATOM 1389 O LYS A 91 14.161 8.998 -8.259 0.50 0.00 O ATOM 1390 CB LYS A 91 13.356 10.670 -10.920 0.50 0.00 C ATOM 1391 CG LYS A 91 14.884 10.588 -10.965 0.50 0.00 C ATOM 1392 CD LYS A 91 15.446 11.836 -11.655 0.50 0.00 C ATOM 1393 CE LYS A 91 16.489 12.497 -10.749 0.50 0.00 C ATOM 1394 NZ LYS A 91 16.361 13.956 -11.020 0.50 0.00 N ATOM 0 H LYS A 91 11.008 10.245 -11.019 0.50 0.00 H new ATOM 0 HA LYS A 91 13.221 8.516 -10.540 0.50 0.00 H new ATOM 0 HB2 LYS A 91 12.953 10.705 -11.932 0.50 0.00 H new ATOM 0 HB3 LYS A 91 13.045 11.588 -10.421 0.50 0.00 H new ATOM 0 HG2 LYS A 91 15.284 10.508 -9.954 0.50 0.00 H new ATOM 0 HG3 LYS A 91 15.194 9.692 -11.503 0.50 0.00 H new ATOM 0 HD2 LYS A 91 15.898 11.564 -12.609 0.50 0.00 H new ATOM 0 HD3 LYS A 91 14.641 12.538 -11.872 0.50 0.00 H new ATOM 0 HE2 LYS A 91 16.300 12.272 -9.699 0.50 0.00 H new ATOM 0 HE3 LYS A 91 17.493 12.139 -10.976 0.50 0.00 H new ATOM 0 HZ1 LYS A 91 17.044 14.479 -10.436 0.50 0.00 H new ATOM 0 HZ2 LYS A 91 16.553 14.140 -12.025 0.50 0.00 H new ATOM 0 HZ3 LYS A 91 15.397 14.269 -10.788 0.50 0.00 H new ATOM 1408 N ASP A 92 12.366 10.205 -7.893 0.50 0.00 N ATOM 1409 CA ASP A 92 12.696 10.309 -6.439 0.50 0.00 C ATOM 1410 C ASP A 92 11.434 10.541 -5.604 0.50 0.00 C ATOM 1411 O ASP A 92 11.394 11.419 -4.763 0.50 0.00 O ATOM 1412 CB ASP A 92 13.635 11.510 -6.333 0.50 0.00 C ATOM 1413 CG ASP A 92 14.482 11.385 -5.065 0.50 0.00 C ATOM 1414 OD1 ASP A 92 15.309 10.490 -5.015 0.50 0.00 O ATOM 1415 OD2 ASP A 92 14.290 12.187 -4.166 0.50 0.00 O ATOM 0 H ASP A 92 11.512 10.680 -8.184 0.50 0.00 H new ATOM 0 HA ASP A 92 13.150 9.393 -6.061 0.50 0.00 H new ATOM 0 HB2 ASP A 92 14.280 11.560 -7.210 0.50 0.00 H new ATOM 0 HB3 ASP A 92 13.059 12.435 -6.308 0.50 0.00 H new ATOM 1420 N ARG A 93 10.405 9.765 -5.820 0.50 0.00 N ATOM 1421 CA ARG A 93 9.156 9.953 -5.023 0.50 0.00 C ATOM 1422 C ARG A 93 8.194 8.784 -5.252 0.50 0.00 C ATOM 1423 O ARG A 93 7.571 8.674 -6.290 0.50 0.00 O ATOM 1424 CB ARG A 93 8.546 11.261 -5.539 0.50 0.00 C ATOM 1425 CG ARG A 93 8.274 12.202 -4.363 0.50 0.00 C ATOM 1426 CD ARG A 93 7.408 13.373 -4.835 0.50 0.00 C ATOM 1427 NE ARG A 93 8.357 14.509 -5.003 0.50 0.00 N ATOM 1428 CZ ARG A 93 8.001 15.715 -4.651 0.50 0.00 C ATOM 1429 NH1 ARG A 93 7.531 15.931 -3.453 0.50 0.00 N ATOM 1430 NH2 ARG A 93 8.116 16.702 -5.496 0.50 0.00 N ATOM 0 H ARG A 93 10.374 9.014 -6.509 0.50 0.00 H new ATOM 0 HA ARG A 93 9.355 9.991 -3.952 0.50 0.00 H new ATOM 0 HB2 ARG A 93 9.225 11.736 -6.248 0.50 0.00 H new ATOM 0 HB3 ARG A 93 7.619 11.055 -6.074 0.50 0.00 H new ATOM 0 HG2 ARG A 93 7.769 11.663 -3.561 0.50 0.00 H new ATOM 0 HG3 ARG A 93 9.214 12.573 -3.955 0.50 0.00 H new ATOM 0 HD2 ARG A 93 6.903 13.138 -5.772 0.50 0.00 H new ATOM 0 HD3 ARG A 93 6.633 13.610 -4.106 0.50 0.00 H new ATOM 0 HE ARG A 93 9.285 14.345 -5.393 0.50 0.00 H new ATOM 0 HH11 ARG A 93 7.442 15.158 -2.793 0.50 0.00 H new ATOM 0 HH12 ARG A 93 7.253 16.872 -3.177 0.50 0.00 H new ATOM 0 HH21 ARG A 93 8.484 16.532 -6.432 0.50 0.00 H new ATOM 0 HH22 ARG A 93 7.838 17.644 -5.221 0.50 0.00 H new ATOM 1444 N SER A 94 8.067 7.914 -4.286 0.50 0.00 N ATOM 1445 CA SER A 94 7.139 6.756 -4.439 0.50 0.00 C ATOM 1446 C SER A 94 5.692 7.232 -4.320 0.50 0.00 C ATOM 1447 O SER A 94 5.284 7.755 -3.303 0.50 0.00 O ATOM 1448 CB SER A 94 7.491 5.811 -3.292 0.50 0.00 C ATOM 1449 OG SER A 94 7.222 6.454 -2.054 0.50 0.00 O ATOM 0 H SER A 94 8.566 7.955 -3.397 0.50 0.00 H new ATOM 0 HA SER A 94 7.237 6.268 -5.409 0.50 0.00 H new ATOM 0 HB2 SER A 94 6.910 4.892 -3.371 0.50 0.00 H new ATOM 0 HB3 SER A 94 8.542 5.529 -3.348 0.50 0.00 H new ATOM 0 HG SER A 94 6.992 5.781 -1.379 0.50 0.00 H new ATOM 1455 N ILE A 95 4.916 7.065 -5.354 0.50 0.00 N ATOM 1456 CA ILE A 95 3.500 7.523 -5.297 0.50 0.00 C ATOM 1457 C ILE A 95 2.548 6.322 -5.286 0.50 0.00 C ATOM 1458 O ILE A 95 2.615 5.456 -6.137 0.50 0.00 O ATOM 1459 CB ILE A 95 3.311 8.385 -6.565 0.50 0.00 C ATOM 1460 CG1 ILE A 95 2.930 9.816 -6.164 0.50 0.00 C ATOM 1461 CG2 ILE A 95 2.204 7.811 -7.459 0.50 0.00 C ATOM 1462 CD1 ILE A 95 3.985 10.794 -6.686 0.50 0.00 C ATOM 0 H ILE A 95 5.200 6.633 -6.233 0.50 0.00 H new ATOM 0 HA ILE A 95 3.280 8.089 -4.392 0.50 0.00 H new ATOM 0 HB ILE A 95 4.250 8.384 -7.118 0.50 0.00 H new ATOM 0 HG12 ILE A 95 1.951 10.070 -6.571 0.50 0.00 H new ATOM 0 HG13 ILE A 95 2.854 9.892 -5.079 0.50 0.00 H new ATOM 0 HG21 ILE A 95 2.091 8.436 -8.345 0.50 0.00 H new ATOM 0 HG22 ILE A 95 2.469 6.798 -7.761 0.50 0.00 H new ATOM 0 HG23 ILE A 95 1.264 7.791 -6.907 0.50 0.00 H new ATOM 0 HD11 ILE A 95 3.712 11.810 -6.400 0.50 0.00 H new ATOM 0 HD12 ILE A 95 4.956 10.545 -6.258 0.50 0.00 H new ATOM 0 HD13 ILE A 95 4.039 10.725 -7.772 0.50 0.00 H new ATOM 1474 N PHE A 96 1.651 6.279 -4.341 0.50 0.00 N ATOM 1475 CA PHE A 96 0.678 5.156 -4.291 0.50 0.00 C ATOM 1476 C PHE A 96 -0.727 5.706 -4.536 0.50 0.00 C ATOM 1477 O PHE A 96 -1.392 6.172 -3.632 0.50 0.00 O ATOM 1478 CB PHE A 96 0.799 4.572 -2.880 0.50 0.00 C ATOM 1479 CG PHE A 96 -0.070 3.336 -2.733 0.50 0.00 C ATOM 1480 CD1 PHE A 96 -0.749 2.794 -3.838 0.50 0.00 C ATOM 1481 CD2 PHE A 96 -0.190 2.726 -1.478 0.50 0.00 C ATOM 1482 CE1 PHE A 96 -1.543 1.652 -3.682 0.50 0.00 C ATOM 1483 CE2 PHE A 96 -0.984 1.583 -1.325 0.50 0.00 C ATOM 1484 CZ PHE A 96 -1.661 1.045 -2.426 0.50 0.00 C ATOM 0 H PHE A 96 1.551 6.974 -3.601 0.50 0.00 H new ATOM 0 HA PHE A 96 0.871 4.394 -5.046 0.50 0.00 H new ATOM 0 HB2 PHE A 96 1.839 4.318 -2.675 0.50 0.00 H new ATOM 0 HB3 PHE A 96 0.503 5.320 -2.145 0.50 0.00 H new ATOM 0 HD1 PHE A 96 -0.658 3.259 -4.808 0.50 0.00 H new ATOM 0 HD2 PHE A 96 0.331 3.138 -0.626 0.50 0.00 H new ATOM 0 HE1 PHE A 96 -2.065 1.238 -4.532 0.50 0.00 H new ATOM 0 HE2 PHE A 96 -1.074 1.115 -0.356 0.50 0.00 H new ATOM 0 HZ PHE A 96 -2.273 0.163 -2.307 0.50 0.00 H new ATOM 1494 N THR A 97 -1.178 5.659 -5.756 0.50 0.00 N ATOM 1495 CA THR A 97 -2.536 6.185 -6.069 0.50 0.00 C ATOM 1496 C THR A 97 -3.392 5.079 -6.683 0.50 0.00 C ATOM 1497 O THR A 97 -3.242 4.727 -7.836 0.50 0.00 O ATOM 1498 CB THR A 97 -2.315 7.334 -7.066 0.50 0.00 C ATOM 1499 OG1 THR A 97 -3.545 7.642 -7.707 0.50 0.00 O ATOM 1500 CG2 THR A 97 -1.278 6.937 -8.121 0.50 0.00 C ATOM 0 H THR A 97 -0.666 5.279 -6.552 0.50 0.00 H new ATOM 0 HA THR A 97 -3.060 6.534 -5.179 0.50 0.00 H new ATOM 0 HB THR A 97 -1.948 8.206 -6.524 0.50 0.00 H new ATOM 0 HG1 THR A 97 -4.286 7.486 -7.085 0.50 0.00 H new ATOM 0 HG21 THR A 97 -1.134 7.762 -8.818 0.50 0.00 H new ATOM 0 HG22 THR A 97 -0.332 6.706 -7.632 0.50 0.00 H new ATOM 0 HG23 THR A 97 -1.629 6.060 -8.664 0.50 0.00 H new ATOM 1508 N VAL A 98 -4.287 4.522 -5.912 0.50 0.00 N ATOM 1509 CA VAL A 98 -5.151 3.426 -6.440 0.50 0.00 C ATOM 1510 C VAL A 98 -6.627 3.821 -6.355 0.50 0.00 C ATOM 1511 O VAL A 98 -7.051 4.484 -5.428 0.50 0.00 O ATOM 1512 CB VAL A 98 -4.855 2.221 -5.541 0.50 0.00 C ATOM 1513 CG1 VAL A 98 -5.240 2.542 -4.093 0.50 0.00 C ATOM 1514 CG2 VAL A 98 -5.660 1.011 -6.026 0.50 0.00 C ATOM 0 H VAL A 98 -4.457 4.778 -4.940 0.50 0.00 H new ATOM 0 HA VAL A 98 -4.949 3.209 -7.489 0.50 0.00 H new ATOM 0 HB VAL A 98 -3.790 1.995 -5.587 0.50 0.00 H new ATOM 0 HG11 VAL A 98 -5.027 1.680 -3.460 0.50 0.00 H new ATOM 0 HG12 VAL A 98 -4.664 3.399 -3.745 0.50 0.00 H new ATOM 0 HG13 VAL A 98 -6.304 2.775 -4.042 0.50 0.00 H new ATOM 0 HG21 VAL A 98 -5.449 0.154 -5.386 0.50 0.00 H new ATOM 0 HG22 VAL A 98 -6.724 1.242 -5.985 0.50 0.00 H new ATOM 0 HG23 VAL A 98 -5.380 0.775 -7.053 0.50 0.00 H new ATOM 1524 N GLU A 99 -7.412 3.415 -7.316 0.50 0.00 N ATOM 1525 CA GLU A 99 -8.863 3.761 -7.294 0.50 0.00 C ATOM 1526 C GLU A 99 -9.695 2.522 -6.959 0.50 0.00 C ATOM 1527 O GLU A 99 -10.460 2.037 -7.769 0.50 0.00 O ATOM 1528 CB GLU A 99 -9.180 4.264 -8.707 0.50 0.00 C ATOM 1529 CG GLU A 99 -8.831 3.182 -9.735 0.50 0.00 C ATOM 1530 CD GLU A 99 -9.894 3.158 -10.834 0.50 0.00 C ATOM 1531 OE1 GLU A 99 -11.060 3.310 -10.508 0.50 0.00 O ATOM 1532 OE2 GLU A 99 -9.525 2.988 -11.985 0.50 0.00 O ATOM 0 H GLU A 99 -7.111 2.858 -8.116 0.50 0.00 H new ATOM 0 HA GLU A 99 -9.096 4.512 -6.539 0.50 0.00 H new ATOM 0 HB2 GLU A 99 -10.236 4.523 -8.782 0.50 0.00 H new ATOM 0 HB3 GLU A 99 -8.614 5.172 -8.915 0.50 0.00 H new ATOM 0 HG2 GLU A 99 -7.850 3.380 -10.168 0.50 0.00 H new ATOM 0 HG3 GLU A 99 -8.774 2.208 -9.248 0.50 0.00 H new ATOM 1539 N GLY A 100 -9.549 2.008 -5.768 0.50 0.00 N ATOM 1540 CA GLY A 100 -10.326 0.801 -5.375 0.50 0.00 C ATOM 1541 C GLY A 100 -9.369 -0.280 -4.877 0.50 0.00 C ATOM 1542 O GLY A 100 -9.525 -1.447 -5.180 0.50 0.00 O ATOM 0 H GLY A 100 -8.924 2.374 -5.050 0.50 0.00 H new ATOM 0 HA2 GLY A 100 -11.043 1.055 -4.594 0.50 0.00 H new ATOM 0 HA3 GLY A 100 -10.899 0.431 -6.225 0.50 0.00 H new ATOM 1546 N ALA A 101 -8.379 0.098 -4.112 0.50 0.00 N ATOM 1547 CA ALA A 101 -7.412 -0.912 -3.590 0.50 0.00 C ATOM 1548 C ALA A 101 -8.165 -1.999 -2.814 0.50 0.00 C ATOM 1549 O ALA A 101 -8.517 -3.028 -3.357 0.50 0.00 O ATOM 1550 CB ALA A 101 -6.474 -0.129 -2.667 0.50 0.00 C ATOM 0 H ALA A 101 -8.198 1.060 -3.827 0.50 0.00 H new ATOM 0 HA ALA A 101 -6.861 -1.414 -4.385 0.50 0.00 H new ATOM 0 HB1 ALA A 101 -5.732 -0.806 -2.243 0.50 0.00 H new ATOM 0 HB2 ALA A 101 -5.970 0.651 -3.237 0.50 0.00 H new ATOM 0 HB3 ALA A 101 -7.052 0.326 -1.862 0.50 0.00 H new ATOM 1556 N GLU A 102 -8.423 -1.777 -1.551 0.50 0.00 N ATOM 1557 CA GLU A 102 -9.163 -2.790 -0.747 0.50 0.00 C ATOM 1558 C GLU A 102 -10.249 -2.100 0.080 0.50 0.00 C ATOM 1559 O GLU A 102 -10.114 -0.951 0.452 0.50 0.00 O ATOM 1560 CB GLU A 102 -8.108 -3.419 0.163 0.50 0.00 C ATOM 1561 CG GLU A 102 -7.577 -4.702 -0.482 0.50 0.00 C ATOM 1562 CD GLU A 102 -6.091 -4.862 -0.155 0.50 0.00 C ATOM 1563 OE1 GLU A 102 -5.321 -4.002 -0.548 0.50 0.00 O ATOM 1564 OE2 GLU A 102 -5.749 -5.843 0.485 0.50 0.00 O ATOM 0 H GLU A 102 -8.152 -0.935 -1.042 0.50 0.00 H new ATOM 0 HA GLU A 102 -9.658 -3.538 -1.367 0.50 0.00 H new ATOM 0 HB2 GLU A 102 -7.290 -2.717 0.329 0.50 0.00 H new ATOM 0 HB3 GLU A 102 -8.540 -3.642 1.139 0.50 0.00 H new ATOM 0 HG2 GLU A 102 -8.135 -5.563 -0.116 0.50 0.00 H new ATOM 0 HG3 GLU A 102 -7.720 -4.665 -1.562 0.50 0.00 H new ATOM 1571 N LYS A 103 -11.322 -2.784 0.376 0.50 0.00 N ATOM 1572 CA LYS A 103 -12.402 -2.150 1.187 0.50 0.00 C ATOM 1573 C LYS A 103 -12.221 -2.507 2.666 0.50 0.00 C ATOM 1574 O LYS A 103 -11.992 -1.652 3.498 0.50 0.00 O ATOM 1575 CB LYS A 103 -13.704 -2.745 0.647 0.50 0.00 C ATOM 1576 CG LYS A 103 -14.017 -2.138 -0.724 0.50 0.00 C ATOM 1577 CD LYS A 103 -15.534 -2.094 -0.934 0.50 0.00 C ATOM 1578 CE LYS A 103 -15.931 -3.085 -2.032 0.50 0.00 C ATOM 1579 NZ LYS A 103 -17.255 -3.620 -1.608 0.50 0.00 N ATOM 0 H LYS A 103 -11.497 -3.748 0.093 0.50 0.00 H new ATOM 0 HA LYS A 103 -12.393 -1.062 1.116 0.50 0.00 H new ATOM 0 HB2 LYS A 103 -13.614 -3.828 0.564 0.50 0.00 H new ATOM 0 HB3 LYS A 103 -14.522 -2.545 1.340 0.50 0.00 H new ATOM 0 HG2 LYS A 103 -13.601 -1.133 -0.791 0.50 0.00 H new ATOM 0 HG3 LYS A 103 -13.548 -2.730 -1.510 0.50 0.00 H new ATOM 0 HD2 LYS A 103 -16.047 -2.341 -0.005 0.50 0.00 H new ATOM 0 HD3 LYS A 103 -15.844 -1.086 -1.211 0.50 0.00 H new ATOM 0 HE2 LYS A 103 -15.996 -2.593 -3.003 0.50 0.00 H new ATOM 0 HE3 LYS A 103 -15.195 -3.883 -2.128 0.50 0.00 H new ATOM 0 HZ1 LYS A 103 -17.593 -4.307 -2.312 0.50 0.00 H new ATOM 0 HZ2 LYS A 103 -17.161 -4.088 -0.684 0.50 0.00 H new ATOM 0 HZ3 LYS A 103 -17.937 -2.838 -1.532 0.50 0.00 H new ATOM 1593 N GLU A 104 -12.312 -3.767 2.990 0.50 0.00 N ATOM 1594 CA GLU A 104 -12.133 -4.197 4.408 0.50 0.00 C ATOM 1595 C GLU A 104 -10.699 -4.693 4.646 0.50 0.00 C ATOM 1596 O GLU A 104 -10.341 -5.071 5.745 0.50 0.00 O ATOM 1597 CB GLU A 104 -13.132 -5.340 4.603 0.50 0.00 C ATOM 1598 CG GLU A 104 -14.555 -4.813 4.418 0.50 0.00 C ATOM 1599 CD GLU A 104 -15.506 -5.571 5.347 0.50 0.00 C ATOM 1600 OE1 GLU A 104 -15.991 -6.614 4.942 0.50 0.00 O ATOM 1601 OE2 GLU A 104 -15.732 -5.095 6.447 0.50 0.00 O ATOM 0 H GLU A 104 -12.504 -4.522 2.331 0.50 0.00 H new ATOM 0 HA GLU A 104 -12.302 -3.378 5.107 0.50 0.00 H new ATOM 0 HB2 GLU A 104 -12.932 -6.137 3.887 0.50 0.00 H new ATOM 0 HB3 GLU A 104 -13.019 -5.770 5.598 0.50 0.00 H new ATOM 0 HG2 GLU A 104 -14.590 -3.746 4.637 0.50 0.00 H new ATOM 0 HG3 GLU A 104 -14.868 -4.936 3.381 0.50 0.00 H new ATOM 1608 N ASP A 105 -9.888 -4.730 3.619 0.50 0.00 N ATOM 1609 CA ASP A 105 -8.492 -5.241 3.781 0.50 0.00 C ATOM 1610 C ASP A 105 -7.522 -4.153 4.266 0.50 0.00 C ATOM 1611 O ASP A 105 -6.327 -4.275 4.089 0.50 0.00 O ATOM 1612 CB ASP A 105 -8.090 -5.727 2.387 0.50 0.00 C ATOM 1613 CG ASP A 105 -7.534 -7.149 2.478 0.50 0.00 C ATOM 1614 OD1 ASP A 105 -6.705 -7.385 3.341 0.50 0.00 O ATOM 1615 OD2 ASP A 105 -7.947 -7.977 1.683 0.50 0.00 O ATOM 0 H ASP A 105 -10.132 -4.429 2.676 0.50 0.00 H new ATOM 0 HA ASP A 105 -8.450 -6.026 4.536 0.50 0.00 H new ATOM 0 HB2 ASP A 105 -8.952 -5.705 1.721 0.50 0.00 H new ATOM 0 HB3 ASP A 105 -7.341 -5.060 1.961 0.50 0.00 H new ATOM 1620 N GLU A 106 -8.006 -3.098 4.877 0.50 0.00 N ATOM 1621 CA GLU A 106 -7.072 -2.036 5.367 0.50 0.00 C ATOM 1622 C GLU A 106 -6.074 -2.631 6.371 0.50 0.00 C ATOM 1623 O GLU A 106 -5.711 -3.788 6.294 0.50 0.00 O ATOM 1624 CB GLU A 106 -7.960 -0.997 6.057 0.50 0.00 C ATOM 1625 CG GLU A 106 -8.736 -1.653 7.204 0.50 0.00 C ATOM 1626 CD GLU A 106 -8.101 -1.273 8.543 0.50 0.00 C ATOM 1627 OE1 GLU A 106 -7.896 -0.091 8.766 0.50 0.00 O ATOM 1628 OE2 GLU A 106 -7.829 -2.171 9.324 0.50 0.00 O ATOM 0 H GLU A 106 -8.996 -2.927 5.056 0.50 0.00 H new ATOM 0 HA GLU A 106 -6.492 -1.598 4.554 0.50 0.00 H new ATOM 0 HB2 GLU A 106 -7.348 -0.180 6.441 0.50 0.00 H new ATOM 0 HB3 GLU A 106 -8.655 -0.564 5.337 0.50 0.00 H new ATOM 0 HG2 GLU A 106 -9.777 -1.332 7.181 0.50 0.00 H new ATOM 0 HG3 GLU A 106 -8.733 -2.736 7.084 0.50 0.00 H new ATOM 1635 N GLY A 107 -5.639 -1.849 7.320 0.50 0.00 N ATOM 1636 CA GLY A 107 -4.674 -2.371 8.334 0.50 0.00 C ATOM 1637 C GLY A 107 -3.373 -1.569 8.277 0.50 0.00 C ATOM 1638 O GLY A 107 -3.340 -0.399 8.604 0.50 0.00 O ATOM 0 H GLY A 107 -5.908 -0.872 7.439 0.50 0.00 H new ATOM 0 HA2 GLY A 107 -5.109 -2.304 9.331 0.50 0.00 H new ATOM 0 HA3 GLY A 107 -4.470 -3.425 8.146 0.50 0.00 H new ATOM 1642 N VAL A 108 -2.296 -2.191 7.871 0.50 0.00 N ATOM 1643 CA VAL A 108 -0.995 -1.462 7.802 0.50 0.00 C ATOM 1644 C VAL A 108 -0.186 -1.905 6.579 0.50 0.00 C ATOM 1645 O VAL A 108 -0.398 -2.965 6.025 0.50 0.00 O ATOM 1646 CB VAL A 108 -0.262 -1.833 9.092 0.50 0.00 C ATOM 1647 CG1 VAL A 108 1.114 -1.162 9.115 0.50 0.00 C ATOM 1648 CG2 VAL A 108 -1.078 -1.351 10.291 0.50 0.00 C ATOM 0 H VAL A 108 -2.261 -3.169 7.585 0.50 0.00 H new ATOM 0 HA VAL A 108 -1.138 -0.386 7.706 0.50 0.00 H new ATOM 0 HB VAL A 108 -0.138 -2.915 9.140 0.50 0.00 H new ATOM 0 HG11 VAL A 108 1.633 -1.428 10.035 0.50 0.00 H new ATOM 0 HG12 VAL A 108 1.698 -1.499 8.258 0.50 0.00 H new ATOM 0 HG13 VAL A 108 0.992 -0.080 9.068 0.50 0.00 H new ATOM 0 HG21 VAL A 108 -0.559 -1.613 11.213 0.50 0.00 H new ATOM 0 HG22 VAL A 108 -1.199 -0.269 10.238 0.50 0.00 H new ATOM 0 HG23 VAL A 108 -2.059 -1.827 10.278 0.50 0.00 H new ATOM 1658 N TYR A 109 0.748 -1.092 6.165 0.50 0.00 N ATOM 1659 CA TYR A 109 1.594 -1.442 4.984 0.50 0.00 C ATOM 1660 C TYR A 109 3.070 -1.210 5.313 0.50 0.00 C ATOM 1661 O TYR A 109 3.404 -0.466 6.211 0.50 0.00 O ATOM 1662 CB TYR A 109 1.164 -0.485 3.869 0.50 0.00 C ATOM 1663 CG TYR A 109 -0.075 -1.012 3.187 0.50 0.00 C ATOM 1664 CD1 TYR A 109 -1.314 -0.955 3.836 0.50 0.00 C ATOM 1665 CD2 TYR A 109 0.015 -1.552 1.899 0.50 0.00 C ATOM 1666 CE1 TYR A 109 -2.462 -1.440 3.198 0.50 0.00 C ATOM 1667 CE2 TYR A 109 -1.133 -2.038 1.260 0.50 0.00 C ATOM 1668 CZ TYR A 109 -2.371 -1.981 1.910 0.50 0.00 C ATOM 1669 OH TYR A 109 -3.503 -2.459 1.281 0.50 0.00 O ATOM 0 H TYR A 109 0.964 -0.193 6.597 0.50 0.00 H new ATOM 0 HA TYR A 109 1.472 -2.487 4.698 0.50 0.00 H new ATOM 0 HB2 TYR A 109 0.969 0.504 4.283 0.50 0.00 H new ATOM 0 HB3 TYR A 109 1.969 -0.374 3.143 0.50 0.00 H new ATOM 0 HD1 TYR A 109 -1.384 -0.537 4.829 0.50 0.00 H new ATOM 0 HD2 TYR A 109 0.970 -1.594 1.397 0.50 0.00 H new ATOM 0 HE1 TYR A 109 -3.418 -1.397 3.699 0.50 0.00 H new ATOM 0 HE2 TYR A 109 -1.063 -2.456 0.267 0.50 0.00 H new ATOM 0 HH TYR A 109 -3.265 -2.799 0.393 0.50 0.00 H new ATOM 1679 N THR A 110 3.953 -1.824 4.577 0.50 0.00 N ATOM 1680 CA THR A 110 5.407 -1.617 4.827 0.50 0.00 C ATOM 1681 C THR A 110 6.116 -1.392 3.493 0.50 0.00 C ATOM 1682 O THR A 110 6.371 -2.317 2.749 0.50 0.00 O ATOM 1683 CB THR A 110 5.902 -2.898 5.497 0.50 0.00 C ATOM 1684 OG1 THR A 110 5.015 -3.253 6.549 0.50 0.00 O ATOM 1685 CG2 THR A 110 7.305 -2.664 6.062 0.50 0.00 C ATOM 0 H THR A 110 3.731 -2.461 3.812 0.50 0.00 H new ATOM 0 HA THR A 110 5.603 -0.749 5.457 0.50 0.00 H new ATOM 0 HB THR A 110 5.936 -3.706 4.766 0.50 0.00 H new ATOM 0 HG1 THR A 110 5.330 -4.075 6.979 0.50 0.00 H new ATOM 0 HG21 THR A 110 7.661 -3.576 6.541 0.50 0.00 H new ATOM 0 HG22 THR A 110 7.982 -2.391 5.253 0.50 0.00 H new ATOM 0 HG23 THR A 110 7.272 -1.858 6.795 0.50 0.00 H new ATOM 1693 N VAL A 111 6.426 -0.167 3.181 0.50 0.00 N ATOM 1694 CA VAL A 111 7.101 0.118 1.888 0.50 0.00 C ATOM 1695 C VAL A 111 8.619 -0.018 2.048 0.50 0.00 C ATOM 1696 O VAL A 111 9.221 0.594 2.907 0.50 0.00 O ATOM 1697 CB VAL A 111 6.675 1.548 1.544 0.50 0.00 C ATOM 1698 CG1 VAL A 111 7.351 2.547 2.475 0.50 0.00 C ATOM 1699 CG2 VAL A 111 7.058 1.864 0.104 0.50 0.00 C ATOM 0 H VAL A 111 6.241 0.649 3.765 0.50 0.00 H new ATOM 0 HA VAL A 111 6.827 -0.575 1.093 0.50 0.00 H new ATOM 0 HB VAL A 111 5.595 1.627 1.666 0.50 0.00 H new ATOM 0 HG11 VAL A 111 7.036 3.558 2.215 0.50 0.00 H new ATOM 0 HG12 VAL A 111 7.068 2.333 3.506 0.50 0.00 H new ATOM 0 HG13 VAL A 111 8.433 2.466 2.371 0.50 0.00 H new ATOM 0 HG21 VAL A 111 6.754 2.882 -0.138 0.50 0.00 H new ATOM 0 HG22 VAL A 111 8.137 1.770 -0.014 0.50 0.00 H new ATOM 0 HG23 VAL A 111 6.557 1.166 -0.567 0.50 0.00 H new ATOM 1709 N THR A 112 9.235 -0.842 1.241 0.50 0.00 N ATOM 1710 CA THR A 112 10.708 -1.045 1.363 0.50 0.00 C ATOM 1711 C THR A 112 11.470 -0.257 0.293 0.50 0.00 C ATOM 1712 O THR A 112 11.288 -0.461 -0.890 0.50 0.00 O ATOM 1713 CB THR A 112 10.907 -2.550 1.161 0.50 0.00 C ATOM 1714 OG1 THR A 112 10.219 -3.255 2.185 0.50 0.00 O ATOM 1715 CG2 THR A 112 12.399 -2.889 1.222 0.50 0.00 C ATOM 0 H THR A 112 8.782 -1.382 0.504 0.50 0.00 H new ATOM 0 HA THR A 112 11.087 -0.695 2.323 0.50 0.00 H new ATOM 0 HB THR A 112 10.514 -2.840 0.187 0.50 0.00 H new ATOM 0 HG1 THR A 112 10.342 -4.219 2.058 0.50 0.00 H new ATOM 0 HG21 THR A 112 12.535 -3.961 1.078 0.50 0.00 H new ATOM 0 HG22 THR A 112 12.928 -2.347 0.438 0.50 0.00 H new ATOM 0 HG23 THR A 112 12.798 -2.600 2.194 0.50 0.00 H new ATOM 1723 N VAL A 113 12.341 0.625 0.709 0.50 0.00 N ATOM 1724 CA VAL A 113 13.148 1.417 -0.266 0.50 0.00 C ATOM 1725 C VAL A 113 14.533 0.773 -0.398 0.50 0.00 C ATOM 1726 O VAL A 113 15.204 0.537 0.586 0.50 0.00 O ATOM 1727 CB VAL A 113 13.250 2.814 0.354 0.50 0.00 C ATOM 1728 CG1 VAL A 113 14.067 3.730 -0.559 0.50 0.00 C ATOM 1729 CG2 VAL A 113 11.846 3.397 0.533 0.50 0.00 C ATOM 0 H VAL A 113 12.529 0.832 1.690 0.50 0.00 H new ATOM 0 HA VAL A 113 12.708 1.457 -1.262 0.50 0.00 H new ATOM 0 HB VAL A 113 13.743 2.740 1.323 0.50 0.00 H new ATOM 0 HG11 VAL A 113 14.136 4.722 -0.112 0.50 0.00 H new ATOM 0 HG12 VAL A 113 15.069 3.319 -0.685 0.50 0.00 H new ATOM 0 HG13 VAL A 113 13.580 3.803 -1.531 0.50 0.00 H new ATOM 0 HG21 VAL A 113 11.918 4.391 0.974 0.50 0.00 H new ATOM 0 HG22 VAL A 113 11.354 3.466 -0.437 0.50 0.00 H new ATOM 0 HG23 VAL A 113 11.264 2.750 1.190 0.50 0.00 H new ATOM 1739 N LYS A 114 14.960 0.456 -1.595 0.50 0.00 N ATOM 1740 CA LYS A 114 16.293 -0.205 -1.750 0.50 0.00 C ATOM 1741 C LYS A 114 17.081 0.363 -2.938 0.50 0.00 C ATOM 1742 O LYS A 114 16.557 1.079 -3.768 0.50 0.00 O ATOM 1743 CB LYS A 114 15.967 -1.680 -1.995 0.50 0.00 C ATOM 1744 CG LYS A 114 16.180 -2.481 -0.705 0.50 0.00 C ATOM 1745 CD LYS A 114 16.910 -3.790 -1.024 0.50 0.00 C ATOM 1746 CE LYS A 114 16.051 -4.980 -0.590 0.50 0.00 C ATOM 1747 NZ LYS A 114 17.025 -6.061 -0.272 0.50 0.00 N ATOM 0 H LYS A 114 14.450 0.624 -2.463 0.50 0.00 H new ATOM 0 HA LYS A 114 16.918 -0.044 -0.871 0.50 0.00 H new ATOM 0 HB2 LYS A 114 14.935 -1.783 -2.331 0.50 0.00 H new ATOM 0 HB3 LYS A 114 16.602 -2.075 -2.788 0.50 0.00 H new ATOM 0 HG2 LYS A 114 16.760 -1.894 0.007 0.50 0.00 H new ATOM 0 HG3 LYS A 114 15.220 -2.694 -0.235 0.50 0.00 H new ATOM 0 HD2 LYS A 114 17.118 -3.850 -2.092 0.50 0.00 H new ATOM 0 HD3 LYS A 114 17.871 -3.816 -0.510 0.50 0.00 H new ATOM 0 HE2 LYS A 114 15.440 -4.731 0.278 0.50 0.00 H new ATOM 0 HE3 LYS A 114 15.368 -5.284 -1.383 0.50 0.00 H new ATOM 0 HZ1 LYS A 114 16.520 -6.876 0.130 0.50 0.00 H new ATOM 0 HZ2 LYS A 114 17.516 -6.352 -1.141 0.50 0.00 H new ATOM 0 HZ3 LYS A 114 17.720 -5.710 0.418 0.50 0.00 H new ATOM 1761 N ASN A 115 18.344 0.027 -3.016 0.50 0.00 N ATOM 1762 CA ASN A 115 19.205 0.510 -4.136 0.50 0.00 C ATOM 1763 C ASN A 115 20.540 -0.250 -4.112 0.50 0.00 C ATOM 1764 O ASN A 115 20.803 -0.997 -3.191 0.50 0.00 O ATOM 1765 CB ASN A 115 19.436 1.997 -3.863 0.50 0.00 C ATOM 1766 CG ASN A 115 18.616 2.853 -4.832 0.50 0.00 C ATOM 1767 OD1 ASN A 115 18.116 3.894 -4.454 0.50 0.00 O ATOM 1768 ND2 ASN A 115 18.459 2.469 -6.071 0.50 0.00 N ATOM 0 H ASN A 115 18.821 -0.570 -2.341 0.50 0.00 H new ATOM 0 HA ASN A 115 18.747 0.351 -5.112 0.50 0.00 H new ATOM 0 HB2 ASN A 115 19.157 2.232 -2.836 0.50 0.00 H new ATOM 0 HB3 ASN A 115 20.495 2.232 -3.968 0.50 0.00 H new ATOM 0 HD21 ASN A 115 17.918 3.043 -6.718 0.50 0.00 H new ATOM 0 HD22 ASN A 115 18.878 1.596 -6.391 0.50 0.00 H new ATOM 1775 N PRO A 116 21.344 -0.035 -5.124 0.50 0.00 N ATOM 1776 CA PRO A 116 22.659 -0.721 -5.204 0.50 0.00 C ATOM 1777 C PRO A 116 23.642 -0.171 -4.162 0.50 0.00 C ATOM 1778 O PRO A 116 24.738 -0.676 -4.015 0.50 0.00 O ATOM 1779 CB PRO A 116 23.140 -0.407 -6.619 0.50 0.00 C ATOM 1780 CG PRO A 116 22.437 0.857 -6.993 0.50 0.00 C ATOM 1781 CD PRO A 116 21.115 0.851 -6.271 0.50 0.00 C ATOM 0 HA PRO A 116 22.586 -1.790 -5.002 0.50 0.00 H new ATOM 0 HB2 PRO A 116 24.222 -0.281 -6.649 0.50 0.00 H new ATOM 0 HB3 PRO A 116 22.894 -1.215 -7.308 0.50 0.00 H new ATOM 0 HG2 PRO A 116 23.029 1.727 -6.708 0.50 0.00 H new ATOM 0 HG3 PRO A 116 22.288 0.912 -8.071 0.50 0.00 H new ATOM 0 HD2 PRO A 116 20.830 1.853 -5.951 0.50 0.00 H new ATOM 0 HD3 PRO A 116 20.313 0.480 -6.909 0.50 0.00 H new ATOM 1789 N VAL A 117 23.272 0.857 -3.440 0.50 0.00 N ATOM 1790 CA VAL A 117 24.208 1.417 -2.421 0.50 0.00 C ATOM 1791 C VAL A 117 23.750 1.057 -1.004 0.50 0.00 C ATOM 1792 O VAL A 117 24.561 0.860 -0.121 0.50 0.00 O ATOM 1793 CB VAL A 117 24.183 2.933 -2.632 0.50 0.00 C ATOM 1794 CG1 VAL A 117 25.180 3.594 -1.677 0.50 0.00 C ATOM 1795 CG2 VAL A 117 24.579 3.251 -4.074 0.50 0.00 C ATOM 0 H VAL A 117 22.370 1.328 -3.512 0.50 0.00 H new ATOM 0 HA VAL A 117 25.214 1.011 -2.532 0.50 0.00 H new ATOM 0 HB VAL A 117 23.180 3.312 -2.436 0.50 0.00 H new ATOM 0 HG11 VAL A 117 25.164 4.674 -1.825 0.50 0.00 H new ATOM 0 HG12 VAL A 117 24.905 3.365 -0.648 0.50 0.00 H new ATOM 0 HG13 VAL A 117 26.182 3.215 -1.877 0.50 0.00 H new ATOM 0 HG21 VAL A 117 24.562 4.330 -4.226 0.50 0.00 H new ATOM 0 HG22 VAL A 117 25.583 2.873 -4.267 0.50 0.00 H new ATOM 0 HG23 VAL A 117 23.875 2.777 -4.758 0.50 0.00 H new ATOM 1805 N GLY A 118 22.464 0.967 -0.768 0.50 0.00 N ATOM 1806 CA GLY A 118 21.993 0.618 0.603 0.50 0.00 C ATOM 1807 C GLY A 118 20.557 0.099 0.547 0.50 0.00 C ATOM 1808 O GLY A 118 20.096 -0.381 -0.471 0.50 0.00 O ATOM 0 H GLY A 118 21.729 1.119 -1.459 0.50 0.00 H new ATOM 0 HA2 GLY A 118 22.645 -0.139 1.039 0.50 0.00 H new ATOM 0 HA3 GLY A 118 22.047 1.494 1.249 0.50 0.00 H new ATOM 1812 N GLU A 119 19.848 0.195 1.639 0.50 0.00 N ATOM 1813 CA GLU A 119 18.439 -0.288 1.667 0.50 0.00 C ATOM 1814 C GLU A 119 17.726 0.266 2.906 0.50 0.00 C ATOM 1815 O GLU A 119 18.207 0.151 4.016 0.50 0.00 O ATOM 1816 CB GLU A 119 18.553 -1.816 1.721 0.50 0.00 C ATOM 1817 CG GLU A 119 17.325 -2.415 2.413 0.50 0.00 C ATOM 1818 CD GLU A 119 17.344 -3.940 2.276 0.50 0.00 C ATOM 1819 OE1 GLU A 119 18.420 -4.488 2.094 0.50 0.00 O ATOM 1820 OE2 GLU A 119 16.282 -4.535 2.357 0.50 0.00 O ATOM 0 H GLU A 119 20.186 0.589 2.517 0.50 0.00 H new ATOM 0 HA GLU A 119 17.858 0.038 0.804 0.50 0.00 H new ATOM 0 HB2 GLU A 119 18.642 -2.217 0.711 0.50 0.00 H new ATOM 0 HB3 GLU A 119 19.457 -2.102 2.258 0.50 0.00 H new ATOM 0 HG2 GLU A 119 17.318 -2.136 3.467 0.50 0.00 H new ATOM 0 HG3 GLU A 119 16.414 -2.012 1.970 0.50 0.00 H new ATOM 1827 N ASP A 120 16.580 0.864 2.720 0.50 0.00 N ATOM 1828 CA ASP A 120 15.829 1.428 3.878 0.50 0.00 C ATOM 1829 C ASP A 120 14.403 0.870 3.903 0.50 0.00 C ATOM 1830 O ASP A 120 13.918 0.345 2.920 0.50 0.00 O ATOM 1831 CB ASP A 120 15.809 2.939 3.638 0.50 0.00 C ATOM 1832 CG ASP A 120 16.768 3.627 4.613 0.50 0.00 C ATOM 1833 OD1 ASP A 120 16.332 3.976 5.697 0.50 0.00 O ATOM 1834 OD2 ASP A 120 17.924 3.793 4.257 0.50 0.00 O ATOM 0 H ASP A 120 16.130 0.986 1.813 0.50 0.00 H new ATOM 0 HA ASP A 120 16.288 1.173 4.833 0.50 0.00 H new ATOM 0 HB2 ASP A 120 16.100 3.158 2.611 0.50 0.00 H new ATOM 0 HB3 ASP A 120 14.799 3.325 3.772 0.50 0.00 H new ATOM 1839 N GLN A 121 13.728 0.982 5.016 0.50 0.00 N ATOM 1840 CA GLN A 121 12.332 0.462 5.098 0.50 0.00 C ATOM 1841 C GLN A 121 11.466 1.392 5.950 0.50 0.00 C ATOM 1842 O GLN A 121 11.938 2.030 6.870 0.50 0.00 O ATOM 1843 CB GLN A 121 12.452 -0.914 5.762 0.50 0.00 C ATOM 1844 CG GLN A 121 11.936 -1.993 4.806 0.50 0.00 C ATOM 1845 CD GLN A 121 11.500 -3.221 5.609 0.50 0.00 C ATOM 1846 OE1 GLN A 121 10.447 -3.221 6.216 0.50 0.00 O ATOM 1847 NE2 GLN A 121 12.270 -4.274 5.638 0.50 0.00 N ATOM 0 H GLN A 121 14.082 1.411 5.871 0.50 0.00 H new ATOM 0 HA GLN A 121 11.862 0.401 4.117 0.50 0.00 H new ATOM 0 HB2 GLN A 121 13.491 -1.113 6.024 0.50 0.00 H new ATOM 0 HB3 GLN A 121 11.880 -0.932 6.690 0.50 0.00 H new ATOM 0 HG2 GLN A 121 11.097 -1.609 4.225 0.50 0.00 H new ATOM 0 HG3 GLN A 121 12.716 -2.268 4.096 0.50 0.00 H new ATOM 0 HE21 GLN A 121 13.154 -4.274 5.129 0.50 0.00 H new ATOM 0 HE22 GLN A 121 11.988 -5.097 6.170 0.50 0.00 H new ATOM 1856 N VAL A 122 10.199 1.467 5.649 0.50 0.00 N ATOM 1857 CA VAL A 122 9.284 2.345 6.435 0.50 0.00 C ATOM 1858 C VAL A 122 7.886 1.719 6.448 0.50 0.00 C ATOM 1859 O VAL A 122 7.536 0.944 5.580 0.50 0.00 O ATOM 1860 CB VAL A 122 9.294 3.717 5.724 0.50 0.00 C ATOM 1861 CG1 VAL A 122 9.444 3.536 4.214 0.50 0.00 C ATOM 1862 CG2 VAL A 122 7.988 4.471 6.009 0.50 0.00 C ATOM 0 H VAL A 122 9.754 0.955 4.887 0.50 0.00 H new ATOM 0 HA VAL A 122 9.595 2.461 7.473 0.50 0.00 H new ATOM 0 HB VAL A 122 10.139 4.290 6.105 0.50 0.00 H new ATOM 0 HG11 VAL A 122 9.449 4.512 3.729 0.50 0.00 H new ATOM 0 HG12 VAL A 122 10.380 3.020 4.001 0.50 0.00 H new ATOM 0 HG13 VAL A 122 8.610 2.946 3.834 0.50 0.00 H new ATOM 0 HG21 VAL A 122 8.007 5.436 5.503 0.50 0.00 H new ATOM 0 HG22 VAL A 122 7.143 3.886 5.644 0.50 0.00 H new ATOM 0 HG23 VAL A 122 7.885 4.627 7.083 0.50 0.00 H new ATOM 1872 N ASN A 123 7.094 2.037 7.433 0.50 0.00 N ATOM 1873 CA ASN A 123 5.724 1.444 7.508 0.50 0.00 C ATOM 1874 C ASN A 123 4.675 2.461 7.059 0.50 0.00 C ATOM 1875 O ASN A 123 4.755 3.631 7.373 0.50 0.00 O ATOM 1876 CB ASN A 123 5.515 1.085 8.981 0.50 0.00 C ATOM 1877 CG ASN A 123 6.699 0.256 9.490 0.50 0.00 C ATOM 1878 OD1 ASN A 123 7.165 -0.639 8.813 0.50 0.00 O ATOM 1879 ND2 ASN A 123 7.208 0.521 10.662 0.50 0.00 N ATOM 0 H ASN A 123 7.332 2.679 8.189 0.50 0.00 H new ATOM 0 HA ASN A 123 5.626 0.575 6.858 0.50 0.00 H new ATOM 0 HB2 ASN A 123 5.414 1.994 9.575 0.50 0.00 H new ATOM 0 HB3 ASN A 123 4.589 0.523 9.099 0.50 0.00 H new ATOM 0 HD21 ASN A 123 7.997 -0.023 11.010 0.50 0.00 H new ATOM 0 HD22 ASN A 123 6.817 1.272 11.230 0.50 0.00 H new ATOM 1886 N LEU A 124 3.689 2.016 6.332 0.50 0.00 N ATOM 1887 CA LEU A 124 2.619 2.942 5.854 0.50 0.00 C ATOM 1888 C LEU A 124 1.272 2.541 6.470 0.50 0.00 C ATOM 1889 O LEU A 124 0.834 1.417 6.340 0.50 0.00 O ATOM 1890 CB LEU A 124 2.606 2.761 4.332 0.50 0.00 C ATOM 1891 CG LEU A 124 1.406 3.497 3.714 0.50 0.00 C ATOM 1892 CD1 LEU A 124 1.903 4.586 2.762 0.50 0.00 C ATOM 1893 CD2 LEU A 124 0.554 2.498 2.927 0.50 0.00 C ATOM 0 H LEU A 124 3.576 1.044 6.045 0.50 0.00 H new ATOM 0 HA LEU A 124 2.795 3.980 6.136 0.50 0.00 H new ATOM 0 HB2 LEU A 124 3.534 3.143 3.906 0.50 0.00 H new ATOM 0 HB3 LEU A 124 2.556 1.700 4.086 0.50 0.00 H new ATOM 0 HG LEU A 124 0.813 3.950 4.508 0.50 0.00 H new ATOM 0 HD11 LEU A 124 1.050 5.105 2.326 0.50 0.00 H new ATOM 0 HD12 LEU A 124 2.518 5.298 3.313 0.50 0.00 H new ATOM 0 HD13 LEU A 124 2.496 4.132 1.968 0.50 0.00 H new ATOM 0 HD21 LEU A 124 -0.299 3.015 2.486 0.50 0.00 H new ATOM 0 HD22 LEU A 124 1.156 2.051 2.136 0.50 0.00 H new ATOM 0 HD23 LEU A 124 0.198 1.716 3.598 0.50 0.00 H new ATOM 1905 N THR A 125 0.617 3.450 7.141 0.50 0.00 N ATOM 1906 CA THR A 125 -0.697 3.114 7.767 0.50 0.00 C ATOM 1907 C THR A 125 -1.826 3.244 6.740 0.50 0.00 C ATOM 1908 O THR A 125 -1.826 4.134 5.913 0.50 0.00 O ATOM 1909 CB THR A 125 -0.874 4.139 8.890 0.50 0.00 C ATOM 1910 OG1 THR A 125 0.274 4.123 9.727 0.50 0.00 O ATOM 1911 CG2 THR A 125 -2.114 3.786 9.713 0.50 0.00 C ATOM 0 H THR A 125 0.933 4.409 7.283 0.50 0.00 H new ATOM 0 HA THR A 125 -0.725 2.090 8.139 0.50 0.00 H new ATOM 0 HB THR A 125 -0.997 5.133 8.461 0.50 0.00 H new ATOM 0 HG1 THR A 125 0.164 4.780 10.446 0.50 0.00 H new ATOM 0 HG21 THR A 125 -2.240 4.516 10.513 0.50 0.00 H new ATOM 0 HG22 THR A 125 -2.993 3.798 9.069 0.50 0.00 H new ATOM 0 HG23 THR A 125 -1.994 2.792 10.145 0.50 0.00 H new ATOM 1919 N VAL A 126 -2.790 2.360 6.790 0.50 0.00 N ATOM 1920 CA VAL A 126 -3.920 2.433 5.817 0.50 0.00 C ATOM 1921 C VAL A 126 -5.260 2.437 6.559 0.50 0.00 C ATOM 1922 O VAL A 126 -5.352 2.022 7.699 0.50 0.00 O ATOM 1923 CB VAL A 126 -3.784 1.182 4.944 0.50 0.00 C ATOM 1924 CG1 VAL A 126 -3.909 -0.076 5.809 0.50 0.00 C ATOM 1925 CG2 VAL A 126 -4.887 1.181 3.883 0.50 0.00 C ATOM 0 H VAL A 126 -2.843 1.593 7.461 0.50 0.00 H new ATOM 0 HA VAL A 126 -3.889 3.344 5.219 0.50 0.00 H new ATOM 0 HB VAL A 126 -2.807 1.188 4.460 0.50 0.00 H new ATOM 0 HG11 VAL A 126 -3.811 -0.961 5.180 0.50 0.00 H new ATOM 0 HG12 VAL A 126 -3.123 -0.078 6.564 0.50 0.00 H new ATOM 0 HG13 VAL A 126 -4.882 -0.085 6.299 0.50 0.00 H new ATOM 0 HG21 VAL A 126 -4.792 0.291 3.260 0.50 0.00 H new ATOM 0 HG22 VAL A 126 -5.862 1.180 4.371 0.50 0.00 H new ATOM 0 HG23 VAL A 126 -4.794 2.071 3.261 0.50 0.00 H new ATOM 1935 N LYS A 127 -6.300 2.899 5.918 0.50 0.00 N ATOM 1936 CA LYS A 127 -7.636 2.929 6.580 0.50 0.00 C ATOM 1937 C LYS A 127 -8.724 3.172 5.534 0.50 0.00 C ATOM 1938 O LYS A 127 -8.799 4.230 4.940 0.50 0.00 O ATOM 1939 CB LYS A 127 -7.566 4.095 7.566 0.50 0.00 C ATOM 1940 CG LYS A 127 -8.741 4.008 8.544 0.50 0.00 C ATOM 1941 CD LYS A 127 -8.446 4.867 9.775 0.50 0.00 C ATOM 1942 CE LYS A 127 -9.092 6.244 9.604 0.50 0.00 C ATOM 1943 NZ LYS A 127 -10.414 6.137 10.283 0.50 0.00 N ATOM 0 H LYS A 127 -6.282 3.257 4.963 0.50 0.00 H new ATOM 0 HA LYS A 127 -7.875 1.992 7.082 0.50 0.00 H new ATOM 0 HB2 LYS A 127 -6.623 4.068 8.111 0.50 0.00 H new ATOM 0 HB3 LYS A 127 -7.596 5.042 7.028 0.50 0.00 H new ATOM 0 HG2 LYS A 127 -9.656 4.349 8.060 0.50 0.00 H new ATOM 0 HG3 LYS A 127 -8.905 2.972 8.841 0.50 0.00 H new ATOM 0 HD2 LYS A 127 -8.832 4.381 10.671 0.50 0.00 H new ATOM 0 HD3 LYS A 127 -7.369 4.973 9.908 0.50 0.00 H new ATOM 0 HE2 LYS A 127 -8.480 7.026 10.053 0.50 0.00 H new ATOM 0 HE3 LYS A 127 -9.209 6.497 8.550 0.50 0.00 H new ATOM 0 HZ1 LYS A 127 -10.917 7.044 10.208 0.50 0.00 H new ATOM 0 HZ2 LYS A 127 -10.978 5.390 9.830 0.50 0.00 H new ATOM 0 HZ3 LYS A 127 -10.271 5.902 11.286 0.50 0.00 H new ATOM 1957 N VAL A 128 -9.563 2.199 5.298 0.50 0.00 N ATOM 1958 CA VAL A 128 -10.638 2.380 4.281 0.50 0.00 C ATOM 1959 C VAL A 128 -11.801 3.180 4.871 0.50 0.00 C ATOM 1960 O VAL A 128 -12.437 2.767 5.820 0.50 0.00 O ATOM 1961 CB VAL A 128 -11.104 0.968 3.913 0.50 0.00 C ATOM 1962 CG1 VAL A 128 -12.138 1.061 2.790 0.50 0.00 C ATOM 1963 CG2 VAL A 128 -9.911 0.128 3.438 0.50 0.00 C ATOM 0 H VAL A 128 -9.551 1.291 5.763 0.50 0.00 H new ATOM 0 HA VAL A 128 -10.277 2.927 3.410 0.50 0.00 H new ATOM 0 HB VAL A 128 -11.546 0.494 4.789 0.50 0.00 H new ATOM 0 HG11 VAL A 128 -12.475 0.060 2.522 0.50 0.00 H new ATOM 0 HG12 VAL A 128 -12.989 1.652 3.127 0.50 0.00 H new ATOM 0 HG13 VAL A 128 -11.688 1.537 1.919 0.50 0.00 H new ATOM 0 HG21 VAL A 128 -10.252 -0.874 3.179 0.50 0.00 H new ATOM 0 HG22 VAL A 128 -9.462 0.596 2.562 0.50 0.00 H new ATOM 0 HG23 VAL A 128 -9.170 0.064 4.235 0.50 0.00 H new ATOM 1973 N ILE A 129 -12.083 4.321 4.305 0.50 0.00 N ATOM 1974 CA ILE A 129 -13.203 5.156 4.808 0.50 0.00 C ATOM 1975 C ILE A 129 -14.457 4.883 3.972 0.50 0.00 C ATOM 1976 O ILE A 129 -14.389 4.284 2.917 0.50 0.00 O ATOM 1977 CB ILE A 129 -12.723 6.595 4.619 0.50 0.00 C ATOM 1978 CG1 ILE A 129 -11.513 6.858 5.524 0.50 0.00 C ATOM 1979 CG2 ILE A 129 -13.849 7.566 4.974 0.50 0.00 C ATOM 1980 CD1 ILE A 129 -11.900 6.649 6.992 0.50 0.00 C ATOM 0 H ILE A 129 -11.579 4.711 3.509 0.50 0.00 H new ATOM 0 HA ILE A 129 -13.460 4.949 5.847 0.50 0.00 H new ATOM 0 HB ILE A 129 -12.435 6.743 3.578 0.50 0.00 H new ATOM 0 HG12 ILE A 129 -10.696 6.188 5.256 0.50 0.00 H new ATOM 0 HG13 ILE A 129 -11.152 7.876 5.376 0.50 0.00 H new ATOM 0 HG21 ILE A 129 -13.502 8.590 4.838 0.50 0.00 H new ATOM 0 HG22 ILE A 129 -14.705 7.383 4.325 0.50 0.00 H new ATOM 0 HG23 ILE A 129 -14.143 7.418 6.013 0.50 0.00 H new ATOM 0 HD11 ILE A 129 -11.034 6.838 7.627 0.50 0.00 H new ATOM 0 HD12 ILE A 129 -12.702 7.337 7.258 0.50 0.00 H new ATOM 0 HD13 ILE A 129 -12.239 5.623 7.136 0.50 0.00 H new ATOM 1992 N ASP A 130 -15.599 5.316 4.435 0.50 0.00 N ATOM 1993 CA ASP A 130 -16.853 5.079 3.664 0.50 0.00 C ATOM 1994 C ASP A 130 -17.489 6.413 3.264 0.50 0.00 C ATOM 1995 O ASP A 130 -18.640 6.401 2.859 0.50 0.00 O ATOM 1996 CB ASP A 130 -17.769 4.313 4.619 0.50 0.00 C ATOM 1997 CG ASP A 130 -18.643 3.343 3.822 0.50 0.00 C ATOM 1998 OD1 ASP A 130 -18.096 2.402 3.268 0.50 0.00 O ATOM 1999 OD2 ASP A 130 -19.843 3.557 3.777 0.50 0.00 O ATOM 2000 OXT ASP A 130 -16.814 7.423 3.370 0.50 0.00 O ATOM 0 H ASP A 130 -15.717 5.823 5.312 0.50 0.00 H new ATOM 0 HA ASP A 130 -16.672 4.525 2.743 0.50 0.00 H new ATOM 0 HB2 ASP A 130 -17.174 3.766 5.350 0.50 0.00 H new ATOM 0 HB3 ASP A 130 -18.396 5.010 5.176 0.50 0.00 H new TER 2005 ASP A 130