USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 677 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -94:sc= 0.0616 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.305 K(o=0.3,f=-0.62) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0806 USER MOD Single : A 7 THR OG1 : rot -111:sc= 0.992 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 5:sc= -4.31! USER MOD Single : A 15 SER OG : rot 170:sc= -0.749 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -107:sc= -1.38 (180deg=-2.79!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 28:sc= 0.438 USER MOD Single : A 38 ASN : amide:sc= -1.62! C(o=-1.6!,f=-13!) USER MOD Single : A 50 HIS : no HE2:sc= -1.96 X(o=-2,f=-2.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.454 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 49:sc= -0.0567! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.337 K(o=-0.34,f=-1.7) USER MOD Single : A 79 HIS : no HD1:sc= -0.015 X(o=-0.015,f=-0.015) USER MOD Single : A 80 HIS : no HD1:sc= -0.169 K(o=-0.17,f=-0.85) USER MOD Single : A 81 HIS : no HE2:sc= -0.0947 K(o=-0.095,f=-2.2) USER MOD Single : A 82 HIS : no HD1:sc= -0.269 K(o=-0.27,f=-1.2) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.942 -20.280 -6.659 1.00 0.00 N ATOM 2 CA MET A 1 -14.857 -20.897 -7.469 1.00 0.00 C ATOM 3 C MET A 1 -14.027 -19.797 -8.122 1.00 0.00 C ATOM 4 O MET A 1 -14.521 -18.699 -8.371 1.00 0.00 O ATOM 5 CB MET A 1 -15.473 -21.796 -8.546 1.00 0.00 C ATOM 6 CG MET A 1 -14.361 -22.518 -9.309 1.00 0.00 C ATOM 7 SD MET A 1 -15.095 -23.644 -10.522 1.00 0.00 S ATOM 8 CE MET A 1 -13.555 -24.418 -11.076 1.00 0.00 C ATOM 0 H1 MET A 1 -15.626 -20.182 -5.673 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.172 -19.342 -7.044 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.787 -20.885 -6.693 1.00 0.00 H new ATOM 0 HA MET A 1 -14.214 -21.499 -6.826 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.144 -22.522 -8.088 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.071 -21.199 -9.234 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.720 -21.793 -9.811 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.731 -23.074 -8.615 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.776 -25.162 -11.841 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.894 -23.657 -11.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.066 -24.902 -10.230 1.00 0.00 H new ATOM 20 N GLN A 2 -12.763 -20.101 -8.396 1.00 0.00 N ATOM 21 CA GLN A 2 -11.869 -19.133 -9.020 1.00 0.00 C ATOM 22 C GLN A 2 -11.819 -17.843 -8.211 1.00 0.00 C ATOM 23 O GLN A 2 -10.917 -17.644 -7.398 1.00 0.00 O ATOM 24 CB GLN A 2 -12.338 -18.838 -10.450 1.00 0.00 C ATOM 25 CG GLN A 2 -11.364 -17.869 -11.135 1.00 0.00 C ATOM 26 CD GLN A 2 -9.981 -18.501 -11.243 1.00 0.00 C ATOM 27 OE1 GLN A 2 -9.859 -19.691 -11.535 1.00 0.00 O ATOM 28 NE2 GLN A 2 -8.923 -17.771 -11.015 1.00 0.00 N ATOM 0 H GLN A 2 -12.336 -21.006 -8.197 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.866 -19.558 -9.050 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.401 -19.766 -11.019 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.339 -18.407 -10.431 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -11.733 -17.612 -12.128 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.304 -16.940 -10.567 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.026 -16.785 -10.773 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.994 -18.186 -11.079 1.00 0.00 H new ATOM 37 N TYR A 3 -12.788 -16.966 -8.444 1.00 0.00 N ATOM 38 CA TYR A 3 -12.838 -15.693 -7.736 1.00 0.00 C ATOM 39 C TYR A 3 -13.455 -15.890 -6.358 1.00 0.00 C ATOM 40 O TYR A 3 -14.437 -16.617 -6.207 1.00 0.00 O ATOM 41 CB TYR A 3 -13.677 -14.693 -8.534 1.00 0.00 C ATOM 42 CG TYR A 3 -13.104 -14.559 -9.923 1.00 0.00 C ATOM 43 CD1 TYR A 3 -13.533 -15.430 -10.931 1.00 0.00 C ATOM 44 CD2 TYR A 3 -12.146 -13.575 -10.210 1.00 0.00 C ATOM 45 CE1 TYR A 3 -13.010 -15.321 -12.223 1.00 0.00 C ATOM 46 CE2 TYR A 3 -11.626 -13.466 -11.502 1.00 0.00 C ATOM 47 CZ TYR A 3 -12.055 -14.339 -12.509 1.00 0.00 C ATOM 48 OH TYR A 3 -11.538 -14.232 -13.784 1.00 0.00 O ATOM 0 H TYR A 3 -13.545 -17.111 -9.113 1.00 0.00 H new ATOM 0 HA TYR A 3 -11.825 -15.308 -7.623 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -14.713 -15.029 -8.586 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -13.681 -13.724 -8.035 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -14.270 -16.188 -10.710 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -11.811 -12.903 -9.434 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -13.343 -15.994 -12.999 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.891 -12.706 -11.725 1.00 0.00 H new ATOM 0 HH TYR A 3 -10.888 -13.499 -13.813 1.00 0.00 H new ATOM 58 N THR A 4 -12.873 -15.247 -5.350 1.00 0.00 N ATOM 59 CA THR A 4 -13.375 -15.371 -3.979 1.00 0.00 C ATOM 60 C THR A 4 -13.189 -14.052 -3.227 1.00 0.00 C ATOM 61 O THR A 4 -12.372 -13.216 -3.615 1.00 0.00 O ATOM 62 CB THR A 4 -12.640 -16.516 -3.237 1.00 0.00 C ATOM 63 OG1 THR A 4 -12.046 -16.016 -2.045 1.00 0.00 O ATOM 64 CG2 THR A 4 -11.545 -17.109 -4.130 1.00 0.00 C ATOM 0 H THR A 4 -12.060 -14.639 -5.451 1.00 0.00 H new ATOM 0 HA THR A 4 -14.438 -15.607 -4.018 1.00 0.00 H new ATOM 0 HB THR A 4 -13.365 -17.291 -2.990 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.584 -16.744 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.036 -17.912 -3.597 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.993 -17.505 -5.041 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.825 -16.332 -4.388 1.00 0.00 H new ATOM 72 N PRO A 5 -13.933 -13.854 -2.168 1.00 0.00 N ATOM 73 CA PRO A 5 -13.853 -12.608 -1.347 1.00 0.00 C ATOM 74 C PRO A 5 -12.513 -12.480 -0.625 1.00 0.00 C ATOM 75 O PRO A 5 -12.020 -11.374 -0.415 1.00 0.00 O ATOM 76 CB PRO A 5 -15.016 -12.756 -0.349 1.00 0.00 C ATOM 77 CG PRO A 5 -15.256 -14.230 -0.253 1.00 0.00 C ATOM 78 CD PRO A 5 -14.923 -14.800 -1.632 1.00 0.00 C ATOM 0 HA PRO A 5 -13.926 -11.707 -1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.759 -12.333 0.622 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -15.906 -12.233 -0.699 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -14.628 -14.679 0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -16.291 -14.440 0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -14.516 -15.809 -1.561 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -15.807 -14.857 -2.266 1.00 0.00 H new ATOM 86 N ASP A 6 -11.935 -13.619 -0.243 1.00 0.00 N ATOM 87 CA ASP A 6 -10.650 -13.625 0.463 1.00 0.00 C ATOM 88 C ASP A 6 -9.732 -14.709 -0.088 1.00 0.00 C ATOM 89 O ASP A 6 -9.804 -15.866 0.325 1.00 0.00 O ATOM 90 CB ASP A 6 -10.880 -13.866 1.956 1.00 0.00 C ATOM 91 CG ASP A 6 -9.553 -13.816 2.704 1.00 0.00 C ATOM 92 OD1 ASP A 6 -8.527 -13.734 2.048 1.00 0.00 O ATOM 93 OD2 ASP A 6 -9.580 -13.858 3.924 1.00 0.00 O ATOM 0 H ASP A 6 -12.331 -14.544 -0.408 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.174 -12.656 0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.559 -13.112 2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.355 -14.835 2.107 1.00 0.00 H new ATOM 98 N THR A 7 -8.859 -14.324 -1.016 1.00 0.00 N ATOM 99 CA THR A 7 -7.911 -15.265 -1.615 1.00 0.00 C ATOM 100 C THR A 7 -6.554 -14.605 -1.798 1.00 0.00 C ATOM 101 O THR A 7 -6.468 -13.401 -2.035 1.00 0.00 O ATOM 102 CB THR A 7 -8.429 -15.744 -2.973 1.00 0.00 C ATOM 103 OG1 THR A 7 -7.394 -16.430 -3.659 1.00 0.00 O ATOM 104 CG2 THR A 7 -8.893 -14.543 -3.799 1.00 0.00 C ATOM 0 H THR A 7 -8.787 -13.370 -1.370 1.00 0.00 H new ATOM 0 HA THR A 7 -7.807 -16.119 -0.946 1.00 0.00 H new ATOM 0 HB THR A 7 -9.271 -16.420 -2.823 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.103 -15.898 -4.429 1.00 0.00 H new ATOM 0 HG21 THR A 7 -9.261 -14.887 -4.766 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.692 -14.024 -3.270 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.056 -13.861 -3.951 1.00 0.00 H new ATOM 112 N ALA A 8 -5.495 -15.402 -1.705 1.00 0.00 N ATOM 113 CA ALA A 8 -4.135 -14.886 -1.881 1.00 0.00 C ATOM 114 C ALA A 8 -3.645 -15.225 -3.278 1.00 0.00 C ATOM 115 O ALA A 8 -3.266 -16.362 -3.555 1.00 0.00 O ATOM 116 CB ALA A 8 -3.200 -15.515 -0.844 1.00 0.00 C ATOM 0 H ALA A 8 -5.547 -16.402 -1.510 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.140 -13.804 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.191 -15.127 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.550 -15.269 0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.192 -16.598 -0.970 1.00 0.00 H new ATOM 122 N TRP A 9 -3.672 -14.233 -4.167 1.00 0.00 N ATOM 123 CA TRP A 9 -3.246 -14.438 -5.553 1.00 0.00 C ATOM 124 C TRP A 9 -1.813 -13.956 -5.739 1.00 0.00 C ATOM 125 O TRP A 9 -1.438 -12.889 -5.253 1.00 0.00 O ATOM 126 CB TRP A 9 -4.176 -13.673 -6.509 1.00 0.00 C ATOM 127 CG TRP A 9 -5.468 -14.418 -6.689 1.00 0.00 C ATOM 128 CD1 TRP A 9 -6.008 -15.276 -5.793 1.00 0.00 C ATOM 129 CD2 TRP A 9 -6.387 -14.384 -7.820 1.00 0.00 C ATOM 130 NE1 TRP A 9 -7.195 -15.766 -6.297 1.00 0.00 N ATOM 131 CE2 TRP A 9 -7.473 -15.247 -7.541 1.00 0.00 C ATOM 132 CE3 TRP A 9 -6.388 -13.696 -9.046 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -8.520 -15.423 -8.442 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -7.441 -13.869 -9.959 1.00 0.00 C ATOM 135 CH2 TRP A 9 -8.506 -14.731 -9.657 1.00 0.00 C ATOM 0 H TRP A 9 -3.982 -13.285 -3.955 1.00 0.00 H new ATOM 0 HA TRP A 9 -3.296 -15.503 -5.779 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -4.375 -12.677 -6.114 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -3.687 -13.541 -7.474 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -5.579 -15.536 -4.837 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -7.793 -16.431 -5.808 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -5.573 -13.030 -9.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -9.336 -16.089 -8.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -7.431 -13.336 -10.898 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -9.314 -14.860 -10.362 1.00 0.00 H new ATOM 146 N LYS A 10 -1.014 -14.750 -6.448 1.00 0.00 N ATOM 147 CA LYS A 10 0.380 -14.397 -6.700 1.00 0.00 C ATOM 148 C LYS A 10 0.506 -13.711 -8.052 1.00 0.00 C ATOM 149 O LYS A 10 0.005 -14.209 -9.057 1.00 0.00 O ATOM 150 CB LYS A 10 1.250 -15.659 -6.669 1.00 0.00 C ATOM 151 CG LYS A 10 2.707 -15.283 -6.376 1.00 0.00 C ATOM 152 CD LYS A 10 3.536 -16.554 -6.201 1.00 0.00 C ATOM 153 CE LYS A 10 4.976 -16.171 -5.865 1.00 0.00 C ATOM 154 NZ LYS A 10 5.780 -17.404 -5.638 1.00 0.00 N ATOM 0 H LYS A 10 -1.306 -15.638 -6.856 1.00 0.00 H new ATOM 0 HA LYS A 10 0.720 -13.712 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.882 -16.346 -5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.185 -16.179 -7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.110 -14.683 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.762 -14.673 -5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.116 -17.170 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.509 -17.149 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.407 -15.588 -6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.998 -15.541 -4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.760 -17.142 -5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.372 -17.944 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.770 -17.988 -6.498 1.00 0.00 H new ATOM 168 N ILE A 11 1.167 -12.562 -8.063 1.00 0.00 N ATOM 169 CA ILE A 11 1.341 -11.804 -9.293 1.00 0.00 C ATOM 170 C ILE A 11 2.506 -12.367 -10.098 1.00 0.00 C ATOM 171 O ILE A 11 3.628 -12.456 -9.601 1.00 0.00 O ATOM 172 CB ILE A 11 1.621 -10.333 -8.962 1.00 0.00 C ATOM 173 CG1 ILE A 11 0.613 -9.826 -7.926 1.00 0.00 C ATOM 174 CG2 ILE A 11 1.483 -9.488 -10.235 1.00 0.00 C ATOM 175 CD1 ILE A 11 1.065 -8.462 -7.399 1.00 0.00 C ATOM 0 H ILE A 11 1.590 -12.136 -7.238 1.00 0.00 H new ATOM 0 HA ILE A 11 0.427 -11.880 -9.882 1.00 0.00 H new ATOM 0 HB ILE A 11 2.631 -10.249 -8.561 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.377 -9.744 -8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.532 -10.537 -7.104 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.682 -8.442 -10.001 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.198 -9.835 -10.981 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.471 -9.586 -10.629 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.348 -8.101 -6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.046 -8.559 -6.934 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.123 -7.754 -8.225 1.00 0.00 H new ATOM 187 N THR A 12 2.236 -12.746 -11.347 1.00 0.00 N ATOM 188 CA THR A 12 3.273 -13.299 -12.220 1.00 0.00 C ATOM 189 C THR A 12 3.646 -12.297 -13.307 1.00 0.00 C ATOM 190 O THR A 12 4.701 -12.410 -13.932 1.00 0.00 O ATOM 191 CB THR A 12 2.767 -14.595 -12.862 1.00 0.00 C ATOM 192 OG1 THR A 12 1.441 -14.400 -13.325 1.00 0.00 O ATOM 193 CG2 THR A 12 2.786 -15.723 -11.828 1.00 0.00 C ATOM 0 H THR A 12 1.313 -12.681 -11.776 1.00 0.00 H new ATOM 0 HA THR A 12 4.159 -13.510 -11.622 1.00 0.00 H new ATOM 0 HB THR A 12 3.412 -14.863 -13.699 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.185 -13.463 -13.198 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.426 -16.644 -12.287 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.805 -15.871 -11.470 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.141 -15.459 -10.990 1.00 0.00 H new ATOM 201 N GLY A 13 2.774 -11.312 -13.526 1.00 0.00 N ATOM 202 CA GLY A 13 3.016 -10.284 -14.540 1.00 0.00 C ATOM 203 C GLY A 13 1.759 -10.006 -15.352 1.00 0.00 C ATOM 204 O GLY A 13 0.707 -10.597 -15.110 1.00 0.00 O ATOM 0 H GLY A 13 1.897 -11.204 -13.017 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.351 -9.366 -14.058 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.818 -10.606 -15.205 1.00 0.00 H new ATOM 208 N PHE A 14 1.875 -9.099 -16.317 1.00 0.00 N ATOM 209 CA PHE A 14 0.745 -8.743 -17.170 1.00 0.00 C ATOM 210 C PHE A 14 0.824 -9.489 -18.500 1.00 0.00 C ATOM 211 O PHE A 14 1.910 -9.820 -18.975 1.00 0.00 O ATOM 212 CB PHE A 14 0.745 -7.234 -17.418 1.00 0.00 C ATOM 213 CG PHE A 14 2.162 -6.752 -17.589 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.746 -6.737 -18.858 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.887 -6.308 -16.477 1.00 0.00 C ATOM 216 CE1 PHE A 14 4.059 -6.279 -19.018 1.00 0.00 C ATOM 217 CE2 PHE A 14 4.198 -5.847 -16.635 1.00 0.00 C ATOM 218 CZ PHE A 14 4.785 -5.833 -17.907 1.00 0.00 C ATOM 0 H PHE A 14 2.738 -8.598 -16.528 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.179 -9.028 -16.668 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.161 -7.001 -18.308 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.272 -6.718 -16.582 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.185 -7.079 -19.715 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.434 -6.321 -15.497 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.512 -6.270 -19.998 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.757 -5.502 -15.778 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.798 -5.478 -18.031 1.00 0.00 H new ATOM 228 N SER A 15 -0.336 -9.750 -19.094 1.00 0.00 N ATOM 229 CA SER A 15 -0.391 -10.457 -20.370 1.00 0.00 C ATOM 230 C SER A 15 -0.021 -9.522 -21.514 1.00 0.00 C ATOM 231 O SER A 15 0.124 -8.319 -21.320 1.00 0.00 O ATOM 232 CB SER A 15 -1.793 -11.019 -20.596 1.00 0.00 C ATOM 233 OG SER A 15 -1.969 -11.307 -21.977 1.00 0.00 O ATOM 0 H SER A 15 -1.245 -9.485 -18.716 1.00 0.00 H new ATOM 0 HA SER A 15 0.326 -11.278 -20.342 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.934 -11.923 -20.004 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.543 -10.300 -20.265 1.00 0.00 H new ATOM 0 HG SER A 15 -2.799 -11.813 -22.102 1.00 0.00 H new ATOM 239 N ARG A 16 0.134 -10.085 -22.707 1.00 0.00 N ATOM 240 CA ARG A 16 0.492 -9.289 -23.873 1.00 0.00 C ATOM 241 C ARG A 16 -0.687 -8.427 -24.314 1.00 0.00 C ATOM 242 O ARG A 16 -0.515 -7.267 -24.684 1.00 0.00 O ATOM 243 CB ARG A 16 0.918 -10.205 -25.029 1.00 0.00 C ATOM 244 CG ARG A 16 2.290 -10.843 -24.735 1.00 0.00 C ATOM 245 CD ARG A 16 2.128 -12.063 -23.822 1.00 0.00 C ATOM 246 NE ARG A 16 3.407 -12.739 -23.655 1.00 0.00 N ATOM 247 CZ ARG A 16 3.509 -13.837 -22.912 1.00 0.00 C ATOM 248 NH1 ARG A 16 2.451 -14.320 -22.320 1.00 0.00 N ATOM 249 NH2 ARG A 16 4.664 -14.429 -22.772 1.00 0.00 N ATOM 0 H ARG A 16 0.018 -11.082 -22.891 1.00 0.00 H new ATOM 0 HA ARG A 16 1.324 -8.640 -23.602 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.172 -10.985 -25.176 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.968 -9.632 -25.955 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.767 -11.141 -25.669 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.944 -10.111 -24.262 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.744 -11.751 -22.851 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.398 -12.751 -24.248 1.00 0.00 H new ATOM 0 HE ARG A 16 4.237 -12.365 -24.115 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.549 -13.855 -22.428 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.526 -15.162 -21.749 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.491 -14.049 -23.233 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.740 -15.271 -22.201 1.00 0.00 H new ATOM 263 N GLU A 17 -1.882 -9.008 -24.272 1.00 0.00 N ATOM 264 CA GLU A 17 -3.087 -8.292 -24.671 1.00 0.00 C ATOM 265 C GLU A 17 -3.368 -7.151 -23.701 1.00 0.00 C ATOM 266 O GLU A 17 -4.188 -6.274 -23.976 1.00 0.00 O ATOM 267 CB GLU A 17 -4.280 -9.251 -24.705 1.00 0.00 C ATOM 268 CG GLU A 17 -5.493 -8.535 -25.311 1.00 0.00 C ATOM 269 CD GLU A 17 -6.628 -9.523 -25.554 1.00 0.00 C ATOM 270 OE1 GLU A 17 -6.516 -10.649 -25.106 1.00 0.00 O ATOM 271 OE2 GLU A 17 -7.595 -9.137 -26.193 1.00 0.00 O ATOM 0 H GLU A 17 -2.041 -9.968 -23.967 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.934 -7.878 -25.668 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.034 -10.134 -25.294 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.513 -9.595 -23.697 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.829 -7.744 -24.640 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.210 -8.058 -26.250 1.00 0.00 H new ATOM 278 N ILE A 18 -2.679 -7.167 -22.563 1.00 0.00 N ATOM 279 CA ILE A 18 -2.862 -6.130 -21.551 1.00 0.00 C ATOM 280 C ILE A 18 -2.999 -4.760 -22.205 1.00 0.00 C ATOM 281 O ILE A 18 -2.431 -4.513 -23.270 1.00 0.00 O ATOM 282 CB ILE A 18 -1.665 -6.117 -20.593 1.00 0.00 C ATOM 283 CG1 ILE A 18 -1.928 -5.142 -19.435 1.00 0.00 C ATOM 284 CG2 ILE A 18 -0.409 -5.673 -21.354 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.141 -5.604 -18.612 1.00 0.00 C ATOM 0 H ILE A 18 -1.993 -7.882 -22.319 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.774 -6.350 -20.996 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.519 -7.120 -20.191 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.048 -5.081 -18.795 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.106 -4.141 -19.827 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.443 -5.663 -20.675 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.214 -6.368 -22.171 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.563 -4.672 -21.758 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.315 -4.903 -17.795 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.022 -5.641 -19.252 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.947 -6.596 -18.204 1.00 0.00 H new ATOM 297 N SER A 19 -3.763 -3.876 -21.569 1.00 0.00 N ATOM 298 CA SER A 19 -3.970 -2.540 -22.115 1.00 0.00 C ATOM 299 C SER A 19 -2.781 -1.624 -21.776 1.00 0.00 C ATOM 300 O SER A 19 -2.233 -1.712 -20.676 1.00 0.00 O ATOM 301 CB SER A 19 -5.252 -1.939 -21.541 1.00 0.00 C ATOM 302 OG SER A 19 -5.055 -1.626 -20.169 1.00 0.00 O ATOM 0 H SER A 19 -4.243 -4.057 -20.687 1.00 0.00 H new ATOM 0 HA SER A 19 -4.054 -2.621 -23.199 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.525 -1.041 -22.095 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.077 -2.643 -21.650 1.00 0.00 H new ATOM 0 HG SER A 19 -5.876 -1.239 -19.801 1.00 0.00 H new ATOM 308 N PRO A 20 -2.376 -0.741 -22.671 1.00 0.00 N ATOM 309 CA PRO A 20 -1.242 0.197 -22.400 1.00 0.00 C ATOM 310 C PRO A 20 -1.379 0.914 -21.054 1.00 0.00 C ATOM 311 O PRO A 20 -0.387 1.148 -20.362 1.00 0.00 O ATOM 312 CB PRO A 20 -1.322 1.214 -23.552 1.00 0.00 C ATOM 313 CG PRO A 20 -2.001 0.494 -24.674 1.00 0.00 C ATOM 314 CD PRO A 20 -2.926 -0.546 -24.032 1.00 0.00 C ATOM 0 HA PRO A 20 -0.292 -0.334 -22.346 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.885 2.099 -23.256 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.329 1.552 -23.847 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.570 1.189 -25.292 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.270 0.013 -25.324 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.957 -0.193 -23.997 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.928 -1.478 -24.597 1.00 0.00 H new ATOM 322 N ALA A 21 -2.606 1.282 -20.701 1.00 0.00 N ATOM 323 CA ALA A 21 -2.846 1.993 -19.449 1.00 0.00 C ATOM 324 C ALA A 21 -2.330 1.201 -18.249 1.00 0.00 C ATOM 325 O ALA A 21 -1.501 1.689 -17.478 1.00 0.00 O ATOM 326 CB ALA A 21 -4.348 2.245 -19.283 1.00 0.00 C ATOM 0 H ALA A 21 -3.442 1.103 -21.257 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.308 2.940 -19.490 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.527 2.776 -18.348 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.710 2.846 -20.117 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.877 1.292 -19.266 1.00 0.00 H new ATOM 332 N TYR A 22 -2.823 -0.020 -18.094 1.00 0.00 N ATOM 333 CA TYR A 22 -2.408 -0.861 -16.980 1.00 0.00 C ATOM 334 C TYR A 22 -0.914 -1.172 -17.069 1.00 0.00 C ATOM 335 O TYR A 22 -0.171 -1.032 -16.093 1.00 0.00 O ATOM 336 CB TYR A 22 -3.214 -2.162 -16.996 1.00 0.00 C ATOM 337 CG TYR A 22 -2.797 -3.028 -15.834 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.657 -3.831 -15.935 1.00 0.00 C ATOM 339 CD2 TYR A 22 -3.558 -3.033 -14.657 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.277 -4.640 -14.861 1.00 0.00 C ATOM 341 CE2 TYR A 22 -3.176 -3.842 -13.583 1.00 0.00 C ATOM 342 CZ TYR A 22 -2.036 -4.647 -13.685 1.00 0.00 C ATOM 343 OH TYR A 22 -1.658 -5.445 -12.625 1.00 0.00 O ATOM 0 H TYR A 22 -3.505 -0.448 -18.720 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.593 -0.328 -16.047 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.280 -1.942 -16.935 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.051 -2.692 -17.935 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.071 -3.826 -16.842 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.439 -2.412 -14.580 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.397 -5.261 -14.938 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.760 -3.846 -12.675 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.292 -5.330 -11.887 1.00 0.00 H new ATOM 353 N ARG A 23 -0.475 -1.592 -18.248 1.00 0.00 N ATOM 354 CA ARG A 23 0.928 -1.923 -18.442 1.00 0.00 C ATOM 355 C ARG A 23 1.803 -0.717 -18.124 1.00 0.00 C ATOM 356 O ARG A 23 2.801 -0.823 -17.401 1.00 0.00 O ATOM 357 CB ARG A 23 1.152 -2.354 -19.893 1.00 0.00 C ATOM 358 CG ARG A 23 2.594 -2.825 -20.080 1.00 0.00 C ATOM 359 CD ARG A 23 2.811 -3.247 -21.535 1.00 0.00 C ATOM 360 NE ARG A 23 2.619 -2.107 -22.429 1.00 0.00 N ATOM 361 CZ ARG A 23 3.605 -1.249 -22.680 1.00 0.00 C ATOM 362 NH1 ARG A 23 4.770 -1.411 -22.117 1.00 0.00 N ATOM 363 NH2 ARG A 23 3.405 -0.246 -23.491 1.00 0.00 N ATOM 0 H ARG A 23 -1.062 -1.710 -19.074 1.00 0.00 H new ATOM 0 HA ARG A 23 1.198 -2.739 -17.771 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.462 -3.156 -20.154 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.942 -1.522 -20.565 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.286 -2.025 -19.816 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.804 -3.661 -19.413 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.817 -3.649 -21.658 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.115 -4.044 -21.797 1.00 0.00 H new ATOM 0 HE ARG A 23 1.710 -1.966 -22.870 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.926 -2.196 -21.484 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.525 -0.753 -22.310 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.494 -0.120 -23.932 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.160 0.412 -23.684 1.00 0.00 H new ATOM 377 N GLN A 24 1.411 0.436 -18.645 1.00 0.00 N ATOM 378 CA GLN A 24 2.162 1.652 -18.396 1.00 0.00 C ATOM 379 C GLN A 24 2.191 1.936 -16.903 1.00 0.00 C ATOM 380 O GLN A 24 3.162 2.491 -16.385 1.00 0.00 O ATOM 381 CB GLN A 24 1.535 2.824 -19.147 1.00 0.00 C ATOM 382 CG GLN A 24 2.376 4.077 -18.914 1.00 0.00 C ATOM 383 CD GLN A 24 1.966 5.167 -19.894 1.00 0.00 C ATOM 384 OE1 GLN A 24 0.820 5.618 -19.886 1.00 0.00 O ATOM 385 NE2 GLN A 24 2.843 5.610 -20.752 1.00 0.00 N ATOM 0 H GLN A 24 0.587 0.553 -19.235 1.00 0.00 H new ATOM 0 HA GLN A 24 3.183 1.521 -18.754 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.480 2.601 -20.213 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.514 2.988 -18.803 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.245 4.428 -17.891 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.434 3.844 -19.038 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.791 5.233 -20.754 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.581 6.334 -21.421 1.00 0.00 H new ATOM 394 N LYS A 25 1.131 1.534 -16.209 1.00 0.00 N ATOM 395 CA LYS A 25 1.067 1.734 -14.770 1.00 0.00 C ATOM 396 C LYS A 25 2.211 0.984 -14.094 1.00 0.00 C ATOM 397 O LYS A 25 2.884 1.524 -13.217 1.00 0.00 O ATOM 398 CB LYS A 25 -0.274 1.224 -14.225 1.00 0.00 C ATOM 399 CG LYS A 25 -0.566 1.869 -12.867 1.00 0.00 C ATOM 400 CD LYS A 25 -1.973 1.483 -12.405 1.00 0.00 C ATOM 401 CE LYS A 25 -2.034 -0.014 -12.086 1.00 0.00 C ATOM 402 NZ LYS A 25 -3.227 -0.289 -11.237 1.00 0.00 N ATOM 0 H LYS A 25 0.316 1.074 -16.615 1.00 0.00 H new ATOM 0 HA LYS A 25 1.156 2.799 -14.558 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.074 1.458 -14.927 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.246 0.139 -14.123 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.171 1.543 -12.133 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.482 2.953 -12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.245 2.062 -11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.698 1.726 -13.182 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.089 -0.592 -13.008 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.126 -0.325 -11.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.922 -0.488 -10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.854 0.541 -11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.739 -1.112 -11.614 1.00 0.00 H new ATOM 416 N LEU A 26 2.433 -0.264 -14.512 1.00 0.00 N ATOM 417 CA LEU A 26 3.516 -1.054 -13.924 1.00 0.00 C ATOM 418 C LEU A 26 4.862 -0.385 -14.186 1.00 0.00 C ATOM 419 O LEU A 26 5.704 -0.303 -13.293 1.00 0.00 O ATOM 420 CB LEU A 26 3.530 -2.487 -14.498 1.00 0.00 C ATOM 421 CG LEU A 26 2.558 -3.397 -13.731 1.00 0.00 C ATOM 422 CD1 LEU A 26 2.997 -3.547 -12.258 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.148 -2.814 -13.802 1.00 0.00 C ATOM 0 H LEU A 26 1.894 -0.739 -15.236 1.00 0.00 H new ATOM 0 HA LEU A 26 3.344 -1.111 -12.849 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.256 -2.463 -15.553 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.539 -2.896 -14.440 1.00 0.00 H new ATOM 0 HG LEU A 26 2.565 -4.385 -14.191 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.295 -4.195 -11.733 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.994 -3.985 -12.218 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.012 -2.567 -11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.459 -3.460 -13.258 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.142 -1.820 -13.355 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.835 -2.745 -14.844 1.00 0.00 H new ATOM 435 N LEU A 27 5.058 0.098 -15.404 1.00 0.00 N ATOM 436 CA LEU A 27 6.314 0.764 -15.742 1.00 0.00 C ATOM 437 C LEU A 27 6.491 2.036 -14.913 1.00 0.00 C ATOM 438 O LEU A 27 7.601 2.361 -14.488 1.00 0.00 O ATOM 439 CB LEU A 27 6.346 1.105 -17.242 1.00 0.00 C ATOM 440 CG LEU A 27 6.888 -0.083 -18.044 1.00 0.00 C ATOM 441 CD1 LEU A 27 5.991 -1.304 -17.839 1.00 0.00 C ATOM 442 CD2 LEU A 27 6.914 0.290 -19.525 1.00 0.00 C ATOM 0 H LEU A 27 4.380 0.045 -16.164 1.00 0.00 H new ATOM 0 HA LEU A 27 7.135 0.085 -15.513 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.343 1.358 -17.586 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.971 1.982 -17.410 1.00 0.00 H new ATOM 0 HG LEU A 27 7.895 -0.324 -17.704 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.383 -2.144 -18.412 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.969 -1.566 -16.781 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.981 -1.074 -18.177 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.298 -0.549 -20.105 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.904 0.529 -19.858 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.558 1.157 -19.671 1.00 0.00 H new ATOM 454 N SER A 28 5.398 2.757 -14.701 1.00 0.00 N ATOM 455 CA SER A 28 5.453 4.000 -13.937 1.00 0.00 C ATOM 456 C SER A 28 5.950 3.748 -12.517 1.00 0.00 C ATOM 457 O SER A 28 6.780 4.494 -11.997 1.00 0.00 O ATOM 458 CB SER A 28 4.066 4.642 -13.887 1.00 0.00 C ATOM 459 OG SER A 28 4.142 5.870 -13.175 1.00 0.00 O ATOM 0 H SER A 28 4.470 2.507 -15.043 1.00 0.00 H new ATOM 0 HA SER A 28 6.151 4.673 -14.434 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.697 4.817 -14.898 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.359 3.970 -13.401 1.00 0.00 H new ATOM 0 HG SER A 28 3.255 6.285 -13.143 1.00 0.00 H new ATOM 465 N LEU A 29 5.434 2.691 -11.893 1.00 0.00 N ATOM 466 CA LEU A 29 5.825 2.338 -10.526 1.00 0.00 C ATOM 467 C LEU A 29 6.898 1.252 -10.541 1.00 0.00 C ATOM 468 O LEU A 29 6.763 0.241 -11.230 1.00 0.00 O ATOM 469 CB LEU A 29 4.595 1.840 -9.756 1.00 0.00 C ATOM 470 CG LEU A 29 3.971 0.614 -10.479 1.00 0.00 C ATOM 471 CD1 LEU A 29 4.392 -0.690 -9.783 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.440 0.716 -10.460 1.00 0.00 C ATOM 0 H LEU A 29 4.746 2.064 -12.309 1.00 0.00 H new ATOM 0 HA LEU A 29 6.232 3.222 -10.035 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.879 1.567 -8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.858 2.639 -9.677 1.00 0.00 H new ATOM 0 HG LEU A 29 4.328 0.606 -11.509 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.947 -1.539 -10.301 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.478 -0.780 -9.805 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.050 -0.677 -8.748 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.011 -0.147 -10.969 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.090 0.740 -9.428 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.130 1.628 -10.970 1.00 0.00 H new ATOM 484 N GLY A 30 7.961 1.472 -9.775 1.00 0.00 N ATOM 485 CA GLY A 30 9.058 0.510 -9.700 1.00 0.00 C ATOM 486 C GLY A 30 8.619 -0.772 -8.997 1.00 0.00 C ATOM 487 O GLY A 30 9.230 -1.828 -9.169 1.00 0.00 O ATOM 0 H GLY A 30 8.088 2.304 -9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.409 0.275 -10.705 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.898 0.953 -9.164 1.00 0.00 H new ATOM 491 N MET A 31 7.556 -0.671 -8.206 1.00 0.00 N ATOM 492 CA MET A 31 7.034 -1.822 -7.477 1.00 0.00 C ATOM 493 C MET A 31 6.415 -2.804 -8.453 1.00 0.00 C ATOM 494 O MET A 31 5.194 -2.883 -8.584 1.00 0.00 O ATOM 495 CB MET A 31 5.969 -1.373 -6.477 1.00 0.00 C ATOM 496 CG MET A 31 6.582 -0.406 -5.465 1.00 0.00 C ATOM 497 SD MET A 31 7.828 -1.268 -4.477 1.00 0.00 S ATOM 498 CE MET A 31 8.273 0.128 -3.416 1.00 0.00 C ATOM 0 H MET A 31 7.039 0.195 -8.053 1.00 0.00 H new ATOM 0 HA MET A 31 7.854 -2.300 -6.941 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.145 -0.890 -7.002 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.554 -2.239 -5.961 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.035 0.439 -5.983 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.805 -0.002 -4.816 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.045 -0.182 -2.711 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.650 0.946 -4.030 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.393 0.462 -2.867 1.00 0.00 H new ATOM 508 N LEU A 32 7.267 -3.538 -9.148 1.00 0.00 N ATOM 509 CA LEU A 32 6.807 -4.504 -10.135 1.00 0.00 C ATOM 510 C LEU A 32 6.407 -5.818 -9.449 1.00 0.00 C ATOM 511 O LEU A 32 6.664 -6.005 -8.258 1.00 0.00 O ATOM 512 CB LEU A 32 7.944 -4.722 -11.167 1.00 0.00 C ATOM 513 CG LEU A 32 7.544 -4.169 -12.558 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.820 -2.665 -12.610 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.351 -4.867 -13.653 1.00 0.00 C ATOM 0 H LEU A 32 8.281 -3.485 -9.048 1.00 0.00 H new ATOM 0 HA LEU A 32 5.922 -4.131 -10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.852 -4.228 -10.823 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.170 -5.785 -11.246 1.00 0.00 H new ATOM 0 HG LEU A 32 6.482 -4.355 -12.720 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.538 -2.277 -13.589 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.237 -2.161 -11.839 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.881 -2.484 -12.440 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.062 -4.471 -14.626 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.414 -4.690 -13.490 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.153 -5.938 -13.624 1.00 0.00 H new ATOM 527 N PRO A 33 5.778 -6.719 -10.169 1.00 0.00 N ATOM 528 CA PRO A 33 5.332 -8.026 -9.604 1.00 0.00 C ATOM 529 C PRO A 33 6.421 -8.701 -8.782 1.00 0.00 C ATOM 530 O PRO A 33 7.516 -8.165 -8.616 1.00 0.00 O ATOM 531 CB PRO A 33 4.991 -8.866 -10.841 1.00 0.00 C ATOM 532 CG PRO A 33 4.632 -7.877 -11.899 1.00 0.00 C ATOM 533 CD PRO A 33 5.420 -6.597 -11.596 1.00 0.00 C ATOM 0 HA PRO A 33 4.492 -7.904 -8.920 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.839 -9.479 -11.147 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.163 -9.545 -10.640 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.883 -8.261 -12.888 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.560 -7.680 -11.896 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.308 -6.518 -12.224 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.819 -5.707 -11.781 1.00 0.00 H new ATOM 541 N GLY A 34 6.109 -9.891 -8.280 1.00 0.00 N ATOM 542 CA GLY A 34 7.056 -10.658 -7.478 1.00 0.00 C ATOM 543 C GLY A 34 6.506 -10.892 -6.076 1.00 0.00 C ATOM 544 O GLY A 34 7.213 -11.382 -5.195 1.00 0.00 O ATOM 0 H GLY A 34 5.206 -10.346 -8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.257 -11.615 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.005 -10.125 -7.418 1.00 0.00 H new ATOM 548 N SER A 35 5.234 -10.543 -5.881 1.00 0.00 N ATOM 549 CA SER A 35 4.577 -10.720 -4.585 1.00 0.00 C ATOM 550 C SER A 35 3.162 -11.253 -4.779 1.00 0.00 C ATOM 551 O SER A 35 2.848 -11.845 -5.811 1.00 0.00 O ATOM 552 CB SER A 35 4.521 -9.389 -3.834 1.00 0.00 C ATOM 553 OG SER A 35 5.832 -8.846 -3.739 1.00 0.00 O ATOM 0 H SER A 35 4.639 -10.137 -6.603 1.00 0.00 H new ATOM 0 HA SER A 35 5.154 -11.438 -4.002 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.864 -8.692 -4.354 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.104 -9.538 -2.838 1.00 0.00 H new ATOM 0 HG SER A 35 5.798 -7.992 -3.259 1.00 0.00 H new ATOM 559 N SER A 36 2.313 -11.043 -3.775 1.00 0.00 N ATOM 560 CA SER A 36 0.926 -11.507 -3.833 1.00 0.00 C ATOM 561 C SER A 36 -0.005 -10.481 -3.203 1.00 0.00 C ATOM 562 O SER A 36 0.402 -9.713 -2.332 1.00 0.00 O ATOM 563 CB SER A 36 0.792 -12.841 -3.098 1.00 0.00 C ATOM 564 OG SER A 36 -0.577 -13.221 -3.063 1.00 0.00 O ATOM 0 H SER A 36 2.559 -10.556 -2.913 1.00 0.00 H new ATOM 0 HA SER A 36 0.648 -11.640 -4.879 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.382 -13.608 -3.601 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.183 -12.752 -2.084 1.00 0.00 H new ATOM 0 HG SER A 36 -1.042 -12.841 -3.837 1.00 0.00 H new ATOM 570 N PHE A 37 -1.259 -10.473 -3.651 1.00 0.00 N ATOM 571 CA PHE A 37 -2.254 -9.533 -3.131 1.00 0.00 C ATOM 572 C PHE A 37 -3.509 -10.277 -2.698 1.00 0.00 C ATOM 573 O PHE A 37 -3.774 -11.392 -3.154 1.00 0.00 O ATOM 574 CB PHE A 37 -2.620 -8.510 -4.208 1.00 0.00 C ATOM 575 CG PHE A 37 -3.316 -9.204 -5.354 1.00 0.00 C ATOM 576 CD1 PHE A 37 -4.707 -9.345 -5.338 1.00 0.00 C ATOM 577 CD2 PHE A 37 -2.574 -9.707 -6.430 1.00 0.00 C ATOM 578 CE1 PHE A 37 -5.357 -9.988 -6.395 1.00 0.00 C ATOM 579 CE2 PHE A 37 -3.225 -10.351 -7.489 1.00 0.00 C ATOM 580 CZ PHE A 37 -4.617 -10.490 -7.472 1.00 0.00 C ATOM 0 H PHE A 37 -1.611 -11.104 -4.371 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.827 -9.019 -2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.269 -7.742 -3.788 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.721 -8.008 -4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.279 -8.957 -4.508 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.500 -9.598 -6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.431 -10.098 -6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.653 -10.740 -8.318 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.120 -10.984 -8.290 1.00 0.00 H new ATOM 590 N ASN A 38 -4.279 -9.652 -1.806 1.00 0.00 N ATOM 591 CA ASN A 38 -5.512 -10.252 -1.299 1.00 0.00 C ATOM 592 C ASN A 38 -6.730 -9.503 -1.831 1.00 0.00 C ATOM 593 O ASN A 38 -6.691 -8.284 -2.042 1.00 0.00 O ATOM 594 CB ASN A 38 -5.517 -10.218 0.229 1.00 0.00 C ATOM 595 CG ASN A 38 -6.627 -11.116 0.767 1.00 0.00 C ATOM 596 OD1 ASN A 38 -7.589 -11.410 0.060 1.00 0.00 O ATOM 597 ND2 ASN A 38 -6.548 -11.576 1.987 1.00 0.00 N ATOM 0 H ASN A 38 -4.070 -8.731 -1.420 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.559 -11.286 -1.640 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.552 -10.550 0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.664 -9.196 0.578 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.284 -12.179 2.353 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.750 -11.332 2.573 1.00 0.00 H new ATOM 604 N VAL A 39 -7.814 -10.243 -2.047 1.00 0.00 N ATOM 605 CA VAL A 39 -9.043 -9.649 -2.554 1.00 0.00 C ATOM 606 C VAL A 39 -9.900 -9.150 -1.394 1.00 0.00 C ATOM 607 O VAL A 39 -10.199 -9.900 -0.467 1.00 0.00 O ATOM 608 CB VAL A 39 -9.832 -10.688 -3.353 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.097 -10.042 -3.927 1.00 0.00 C ATOM 610 CG2 VAL A 39 -8.964 -11.227 -4.494 1.00 0.00 C ATOM 0 H VAL A 39 -7.865 -11.248 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.786 -8.810 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.114 -11.511 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -11.658 -10.783 -4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.715 -9.666 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.819 -9.216 -4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.528 -11.967 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.677 -10.407 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.068 -11.692 -4.082 1.00 0.00 H new ATOM 620 N VAL A 40 -10.290 -7.883 -1.453 1.00 0.00 N ATOM 621 CA VAL A 40 -11.113 -7.298 -0.401 1.00 0.00 C ATOM 622 C VAL A 40 -12.531 -7.870 -0.430 1.00 0.00 C ATOM 623 O VAL A 40 -13.122 -8.136 0.618 1.00 0.00 O ATOM 624 CB VAL A 40 -11.135 -5.769 -0.555 1.00 0.00 C ATOM 625 CG1 VAL A 40 -11.397 -5.387 -2.019 1.00 0.00 C ATOM 626 CG2 VAL A 40 -12.233 -5.168 0.335 1.00 0.00 C ATOM 0 H VAL A 40 -10.052 -7.244 -2.212 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.679 -7.551 0.566 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.166 -5.374 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.410 -4.301 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.608 -5.797 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.359 -5.791 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.242 -4.084 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.202 -5.572 0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.036 -5.421 1.377 1.00 0.00 H new ATOM 636 N ARG A 41 -13.071 -8.044 -1.628 1.00 0.00 N ATOM 637 CA ARG A 41 -14.421 -8.567 -1.783 1.00 0.00 C ATOM 638 C ARG A 41 -14.725 -8.808 -3.258 1.00 0.00 C ATOM 639 O ARG A 41 -14.088 -8.220 -4.132 1.00 0.00 O ATOM 640 CB ARG A 41 -15.431 -7.565 -1.213 1.00 0.00 C ATOM 641 CG ARG A 41 -15.407 -6.275 -2.044 1.00 0.00 C ATOM 642 CD ARG A 41 -16.336 -5.240 -1.406 1.00 0.00 C ATOM 643 NE ARG A 41 -15.819 -4.830 -0.106 1.00 0.00 N ATOM 644 CZ ARG A 41 -16.489 -3.976 0.660 1.00 0.00 C ATOM 645 NH1 ARG A 41 -17.626 -3.484 0.251 1.00 0.00 N ATOM 646 NH2 ARG A 41 -16.009 -3.627 1.823 1.00 0.00 N ATOM 0 H ARG A 41 -12.596 -7.831 -2.505 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.497 -9.511 -1.243 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.432 -7.997 -1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -15.190 -7.343 -0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.391 -5.883 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.723 -6.482 -3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.428 -4.372 -2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -17.335 -5.660 -1.292 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.928 -5.205 0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.002 -3.755 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.139 -2.828 0.840 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.120 -4.010 2.143 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.523 -2.971 2.411 1.00 0.00 H new ATOM 660 N VAL A 42 -15.711 -9.655 -3.531 1.00 0.00 N ATOM 661 CA VAL A 42 -16.110 -9.944 -4.910 1.00 0.00 C ATOM 662 C VAL A 42 -17.624 -9.826 -5.039 1.00 0.00 C ATOM 663 O VAL A 42 -18.366 -10.528 -4.353 1.00 0.00 O ATOM 664 CB VAL A 42 -15.663 -11.357 -5.290 1.00 0.00 C ATOM 665 CG1 VAL A 42 -16.240 -11.733 -6.657 1.00 0.00 C ATOM 666 CG2 VAL A 42 -14.135 -11.400 -5.348 1.00 0.00 C ATOM 0 H VAL A 42 -16.249 -10.153 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.637 -9.228 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.023 -12.066 -4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.919 -12.740 -6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.329 -11.699 -6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.884 -11.028 -7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.809 -12.404 -5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -13.779 -10.690 -6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.726 -11.136 -4.373 1.00 0.00 H new ATOM 676 N ALA A 43 -18.081 -8.936 -5.918 1.00 0.00 N ATOM 677 CA ALA A 43 -19.518 -8.747 -6.115 1.00 0.00 C ATOM 678 C ALA A 43 -20.018 -9.608 -7.292 1.00 0.00 C ATOM 679 O ALA A 43 -19.684 -9.323 -8.442 1.00 0.00 O ATOM 680 CB ALA A 43 -19.796 -7.269 -6.407 1.00 0.00 C ATOM 0 H ALA A 43 -17.488 -8.342 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.044 -9.053 -5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.866 -7.122 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.459 -6.662 -5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.261 -6.969 -7.308 1.00 0.00 H new ATOM 686 N PRO A 44 -20.807 -10.641 -7.048 1.00 0.00 N ATOM 687 CA PRO A 44 -21.332 -11.515 -8.137 1.00 0.00 C ATOM 688 C PRO A 44 -22.483 -10.860 -8.903 1.00 0.00 C ATOM 689 O PRO A 44 -22.909 -11.355 -9.946 1.00 0.00 O ATOM 690 CB PRO A 44 -21.785 -12.785 -7.408 1.00 0.00 C ATOM 691 CG PRO A 44 -22.149 -12.334 -6.027 1.00 0.00 C ATOM 692 CD PRO A 44 -21.291 -11.094 -5.723 1.00 0.00 C ATOM 0 HA PRO A 44 -20.579 -11.716 -8.899 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -22.636 -13.245 -7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -20.990 -13.530 -7.383 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.210 -12.094 -5.966 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -21.959 -13.123 -5.300 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -21.876 -10.319 -5.228 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.461 -11.339 -5.060 1.00 0.00 H new ATOM 700 N LEU A 45 -22.998 -9.762 -8.360 1.00 0.00 N ATOM 701 CA LEU A 45 -24.119 -9.065 -8.979 1.00 0.00 C ATOM 702 C LEU A 45 -23.765 -8.608 -10.390 1.00 0.00 C ATOM 703 O LEU A 45 -24.631 -8.537 -11.261 1.00 0.00 O ATOM 704 CB LEU A 45 -24.498 -7.848 -8.132 1.00 0.00 C ATOM 705 CG LEU A 45 -24.687 -8.275 -6.673 1.00 0.00 C ATOM 706 CD1 LEU A 45 -25.067 -7.052 -5.833 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.795 -9.337 -6.576 1.00 0.00 C ATOM 0 H LEU A 45 -22.659 -9.337 -7.497 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.961 -9.755 -9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.720 -7.088 -8.201 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -25.416 -7.400 -8.512 1.00 0.00 H new ATOM 0 HG LEU A 45 -23.756 -8.701 -6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -25.202 -7.352 -4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -24.274 -6.307 -5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -25.996 -6.625 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.923 -9.635 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -26.730 -8.923 -6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.518 -10.207 -7.171 1.00 0.00 H new ATOM 719 N GLY A 46 -22.489 -8.304 -10.618 1.00 0.00 N ATOM 720 CA GLY A 46 -22.034 -7.859 -11.937 1.00 0.00 C ATOM 721 C GLY A 46 -21.122 -6.645 -11.819 1.00 0.00 C ATOM 722 O GLY A 46 -20.972 -5.879 -12.770 1.00 0.00 O ATOM 0 H GLY A 46 -21.754 -8.357 -9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.503 -8.670 -12.435 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.895 -7.613 -12.559 1.00 0.00 H new ATOM 726 N ASP A 47 -20.514 -6.472 -10.649 1.00 0.00 N ATOM 727 CA ASP A 47 -19.615 -5.342 -10.418 1.00 0.00 C ATOM 728 C ASP A 47 -18.161 -5.785 -10.615 1.00 0.00 C ATOM 729 O ASP A 47 -17.852 -6.976 -10.554 1.00 0.00 O ATOM 730 CB ASP A 47 -19.833 -4.797 -8.986 1.00 0.00 C ATOM 731 CG ASP A 47 -20.608 -3.477 -9.011 1.00 0.00 C ATOM 732 OD1 ASP A 47 -21.599 -3.410 -9.719 1.00 0.00 O ATOM 733 OD2 ASP A 47 -20.198 -2.560 -8.319 1.00 0.00 O ATOM 0 H ASP A 47 -20.625 -7.095 -9.849 1.00 0.00 H new ATOM 0 HA ASP A 47 -19.831 -4.548 -11.133 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -20.378 -5.531 -8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.869 -4.647 -8.500 1.00 0.00 H new ATOM 738 N PRO A 48 -17.274 -4.852 -10.847 1.00 0.00 N ATOM 739 CA PRO A 48 -15.825 -5.148 -11.061 1.00 0.00 C ATOM 740 C PRO A 48 -15.206 -5.862 -9.863 1.00 0.00 C ATOM 741 O PRO A 48 -15.838 -6.008 -8.818 1.00 0.00 O ATOM 742 CB PRO A 48 -15.189 -3.759 -11.278 1.00 0.00 C ATOM 743 CG PRO A 48 -16.179 -2.784 -10.719 1.00 0.00 C ATOM 744 CD PRO A 48 -17.551 -3.412 -10.932 1.00 0.00 C ATOM 0 HA PRO A 48 -15.663 -5.821 -11.903 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -14.229 -3.681 -10.768 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -15.005 -3.571 -12.336 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -15.993 -2.602 -9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -16.107 -1.821 -11.225 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -18.263 -3.093 -10.171 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -17.974 -3.139 -11.899 1.00 0.00 H new ATOM 752 N ILE A 49 -13.967 -6.317 -10.032 1.00 0.00 N ATOM 753 CA ILE A 49 -13.272 -7.031 -8.967 1.00 0.00 C ATOM 754 C ILE A 49 -12.454 -6.052 -8.139 1.00 0.00 C ATOM 755 O ILE A 49 -11.493 -5.457 -8.628 1.00 0.00 O ATOM 756 CB ILE A 49 -12.341 -8.092 -9.577 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.040 -8.752 -10.775 1.00 0.00 C ATOM 758 CG2 ILE A 49 -11.990 -9.154 -8.526 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.366 -9.389 -10.342 1.00 0.00 C ATOM 0 H ILE A 49 -13.428 -6.205 -10.890 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.006 -7.519 -8.326 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.420 -7.614 -9.911 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.224 -8.009 -11.551 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.390 -9.512 -11.209 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.330 -9.900 -8.969 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.487 -8.680 -7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -12.903 -9.637 -8.178 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -14.846 -9.851 -11.204 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.175 -10.148 -9.583 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.021 -8.621 -9.930 1.00 0.00 H new ATOM 771 N HIS A 50 -12.840 -5.893 -6.879 1.00 0.00 N ATOM 772 CA HIS A 50 -12.138 -4.988 -5.977 1.00 0.00 C ATOM 773 C HIS A 50 -11.060 -5.744 -5.223 1.00 0.00 C ATOM 774 O HIS A 50 -11.345 -6.724 -4.535 1.00 0.00 O ATOM 775 CB HIS A 50 -13.124 -4.376 -4.981 1.00 0.00 C ATOM 776 CG HIS A 50 -14.035 -3.422 -5.702 1.00 0.00 C ATOM 777 ND1 HIS A 50 -14.569 -2.302 -5.084 1.00 0.00 N ATOM 778 CD2 HIS A 50 -14.513 -3.403 -6.990 1.00 0.00 C ATOM 779 CE1 HIS A 50 -15.328 -1.660 -5.992 1.00 0.00 C ATOM 780 NE2 HIS A 50 -15.327 -2.288 -7.171 1.00 0.00 N ATOM 0 H HIS A 50 -13.633 -6.378 -6.459 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.678 -4.192 -6.563 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.708 -5.161 -4.501 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -12.583 -3.854 -4.192 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -14.415 -2.016 -4.117 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.291 -4.141 -7.747 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.871 -0.748 -5.792 1.00 0.00 H new ATOM 788 N ILE A 51 -9.818 -5.286 -5.359 1.00 0.00 N ATOM 789 CA ILE A 51 -8.692 -5.928 -4.684 1.00 0.00 C ATOM 790 C ILE A 51 -7.894 -4.901 -3.894 1.00 0.00 C ATOM 791 O ILE A 51 -7.817 -3.732 -4.279 1.00 0.00 O ATOM 792 CB ILE A 51 -7.787 -6.619 -5.716 1.00 0.00 C ATOM 793 CG1 ILE A 51 -7.258 -5.592 -6.729 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.587 -7.692 -6.462 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.233 -6.260 -7.648 1.00 0.00 C ATOM 0 H ILE A 51 -9.566 -4.477 -5.927 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.078 -6.677 -3.992 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.946 -7.077 -5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.082 -5.189 -7.318 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.800 -4.752 -6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.945 -8.182 -7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.956 -8.431 -5.751 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.430 -7.228 -6.973 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.858 -5.531 -8.366 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.404 -6.641 -7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.706 -7.085 -8.181 1.00 0.00 H new ATOM 807 N GLU A 52 -7.293 -5.343 -2.789 1.00 0.00 N ATOM 808 CA GLU A 52 -6.491 -4.451 -1.949 1.00 0.00 C ATOM 809 C GLU A 52 -5.108 -5.038 -1.724 1.00 0.00 C ATOM 810 O GLU A 52 -4.971 -6.201 -1.347 1.00 0.00 O ATOM 811 CB GLU A 52 -7.182 -4.222 -0.603 1.00 0.00 C ATOM 812 CG GLU A 52 -8.400 -3.316 -0.801 1.00 0.00 C ATOM 813 CD GLU A 52 -9.134 -3.134 0.524 1.00 0.00 C ATOM 814 OE1 GLU A 52 -8.675 -3.684 1.512 1.00 0.00 O ATOM 815 OE2 GLU A 52 -10.144 -2.450 0.531 1.00 0.00 O ATOM 0 H GLU A 52 -7.345 -6.306 -2.456 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.391 -3.495 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.491 -5.175 -0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.487 -3.766 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.084 -2.347 -1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.071 -3.751 -1.541 1.00 0.00 H new ATOM 822 N THR A 53 -4.084 -4.220 -1.962 1.00 0.00 N ATOM 823 CA THR A 53 -2.699 -4.658 -1.787 1.00 0.00 C ATOM 824 C THR A 53 -1.989 -3.743 -0.804 1.00 0.00 C ATOM 825 O THR A 53 -2.162 -2.523 -0.840 1.00 0.00 O ATOM 826 CB THR A 53 -1.962 -4.633 -3.138 1.00 0.00 C ATOM 827 OG1 THR A 53 -1.291 -3.389 -3.285 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.965 -4.795 -4.287 1.00 0.00 C ATOM 0 H THR A 53 -4.186 -3.255 -2.275 1.00 0.00 H new ATOM 0 HA THR A 53 -2.699 -5.676 -1.398 1.00 0.00 H new ATOM 0 HB THR A 53 -1.244 -5.452 -3.165 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.820 -3.371 -4.144 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.434 -4.776 -5.239 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.488 -5.746 -4.182 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.687 -3.979 -4.258 1.00 0.00 H new ATOM 836 N ARG A 54 -1.187 -4.339 0.068 1.00 0.00 N ATOM 837 CA ARG A 54 -0.449 -3.575 1.066 1.00 0.00 C ATOM 838 C ARG A 54 0.109 -2.296 0.449 1.00 0.00 C ATOM 839 O ARG A 54 0.147 -1.248 1.094 1.00 0.00 O ATOM 840 CB ARG A 54 0.697 -4.422 1.617 1.00 0.00 C ATOM 841 CG ARG A 54 0.145 -5.757 2.123 1.00 0.00 C ATOM 842 CD ARG A 54 1.286 -6.595 2.701 1.00 0.00 C ATOM 843 NE ARG A 54 2.210 -6.985 1.642 1.00 0.00 N ATOM 844 CZ ARG A 54 3.323 -7.658 1.916 1.00 0.00 C ATOM 845 NH1 ARG A 54 3.607 -7.977 3.149 1.00 0.00 N ATOM 846 NH2 ARG A 54 4.135 -7.997 0.950 1.00 0.00 N ATOM 0 H ARG A 54 -1.031 -5.346 0.105 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.127 -3.308 1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.442 -4.595 0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.198 -3.893 2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.615 -5.583 2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.339 -6.295 1.308 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.816 -6.025 3.464 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.884 -7.483 3.188 1.00 0.00 H new ATOM 0 HE ARG A 54 1.999 -6.737 0.675 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.975 -7.710 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.461 -8.493 3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.915 -7.745 -0.014 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.989 -8.513 1.159 1.00 0.00 H new ATOM 860 N ARG A 55 0.540 -2.392 -0.805 1.00 0.00 N ATOM 861 CA ARG A 55 1.090 -1.236 -1.499 1.00 0.00 C ATOM 862 C ARG A 55 0.015 -0.172 -1.703 1.00 0.00 C ATOM 863 O ARG A 55 0.228 1.004 -1.404 1.00 0.00 O ATOM 864 CB ARG A 55 1.647 -1.667 -2.861 1.00 0.00 C ATOM 865 CG ARG A 55 2.328 -0.476 -3.542 1.00 0.00 C ATOM 866 CD ARG A 55 2.870 -0.901 -4.909 1.00 0.00 C ATOM 867 NE ARG A 55 1.769 -1.238 -5.811 1.00 0.00 N ATOM 868 CZ ARG A 55 1.924 -2.114 -6.801 1.00 0.00 C ATOM 869 NH1 ARG A 55 3.081 -2.685 -6.996 1.00 0.00 N ATOM 870 NH2 ARG A 55 0.919 -2.400 -7.584 1.00 0.00 N ATOM 0 H ARG A 55 0.519 -3.250 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 55 1.891 -0.815 -0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.361 -2.481 -2.732 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.842 -2.046 -3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.617 0.342 -3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.141 -0.104 -2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.466 -0.095 -5.338 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.531 -1.760 -4.794 1.00 0.00 H new ATOM 0 HE ARG A 55 0.862 -0.791 -5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.869 -2.460 -6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.197 -3.356 -7.755 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.015 -1.952 -7.437 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.038 -3.071 -8.343 1.00 0.00 H new ATOM 884 N VAL A 56 -1.141 -0.590 -2.214 1.00 0.00 N ATOM 885 CA VAL A 56 -2.236 0.343 -2.450 1.00 0.00 C ATOM 886 C VAL A 56 -3.506 -0.400 -2.827 1.00 0.00 C ATOM 887 O VAL A 56 -3.488 -1.612 -3.044 1.00 0.00 O ATOM 888 CB VAL A 56 -1.857 1.313 -3.573 1.00 0.00 C ATOM 889 CG1 VAL A 56 -1.803 0.572 -4.914 1.00 0.00 C ATOM 890 CG2 VAL A 56 -2.878 2.462 -3.663 1.00 0.00 C ATOM 0 H VAL A 56 -1.341 -1.557 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.418 0.899 -1.531 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.875 1.729 -3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.533 1.271 -5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.058 -0.222 -4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.780 0.139 -5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.592 3.141 -4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.868 2.054 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.898 3.006 -2.719 1.00 0.00 H new ATOM 900 N SER A 57 -4.607 0.338 -2.927 1.00 0.00 N ATOM 901 CA SER A 57 -5.880 -0.257 -3.307 1.00 0.00 C ATOM 902 C SER A 57 -6.069 -0.173 -4.818 1.00 0.00 C ATOM 903 O SER A 57 -5.785 0.857 -5.428 1.00 0.00 O ATOM 904 CB SER A 57 -7.031 0.464 -2.605 1.00 0.00 C ATOM 905 OG SER A 57 -8.264 -0.084 -3.054 1.00 0.00 O ATOM 0 H SER A 57 -4.642 1.342 -2.751 1.00 0.00 H new ATOM 0 HA SER A 57 -5.877 -1.304 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.941 0.353 -1.524 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.993 1.532 -2.820 1.00 0.00 H new ATOM 0 HG SER A 57 -9.007 0.372 -2.607 1.00 0.00 H new ATOM 911 N LEU A 58 -6.547 -1.263 -5.420 1.00 0.00 N ATOM 912 CA LEU A 58 -6.768 -1.301 -6.870 1.00 0.00 C ATOM 913 C LEU A 58 -8.025 -2.103 -7.189 1.00 0.00 C ATOM 914 O LEU A 58 -8.366 -3.049 -6.479 1.00 0.00 O ATOM 915 CB LEU A 58 -5.555 -1.935 -7.569 1.00 0.00 C ATOM 916 CG LEU A 58 -5.765 -1.977 -9.095 1.00 0.00 C ATOM 917 CD1 LEU A 58 -5.890 -0.553 -9.662 1.00 0.00 C ATOM 918 CD2 LEU A 58 -4.570 -2.683 -9.743 1.00 0.00 C ATOM 0 H LEU A 58 -6.788 -2.126 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.897 -0.281 -7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.656 -1.364 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.398 -2.945 -7.191 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.685 -2.519 -9.314 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.038 -0.603 -10.741 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.741 -0.052 -9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.980 0.006 -9.446 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.710 -2.717 -10.823 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.656 -2.136 -9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.493 -3.699 -9.355 1.00 0.00 H new ATOM 930 N VAL A 59 -8.703 -1.724 -8.271 1.00 0.00 N ATOM 931 CA VAL A 59 -9.917 -2.422 -8.700 1.00 0.00 C ATOM 932 C VAL A 59 -9.809 -2.758 -10.183 1.00 0.00 C ATOM 933 O VAL A 59 -9.478 -1.899 -11.000 1.00 0.00 O ATOM 934 CB VAL A 59 -11.150 -1.550 -8.457 1.00 0.00 C ATOM 935 CG1 VAL A 59 -10.958 -0.185 -9.118 1.00 0.00 C ATOM 936 CG2 VAL A 59 -12.387 -2.235 -9.048 1.00 0.00 C ATOM 0 H VAL A 59 -8.435 -0.940 -8.866 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.021 -3.340 -8.121 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.287 -1.414 -7.384 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.839 0.432 -8.942 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.082 0.305 -8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.816 -0.317 -10.191 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -13.265 -1.613 -8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.248 -2.375 -10.120 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.529 -3.205 -8.571 1.00 0.00 H new ATOM 946 N LEU A 60 -10.084 -4.013 -10.523 1.00 0.00 N ATOM 947 CA LEU A 60 -10.007 -4.466 -11.911 1.00 0.00 C ATOM 948 C LEU A 60 -11.235 -5.302 -12.265 1.00 0.00 C ATOM 949 O LEU A 60 -11.877 -5.882 -11.392 1.00 0.00 O ATOM 950 CB LEU A 60 -8.741 -5.304 -12.105 1.00 0.00 C ATOM 951 CG LEU A 60 -7.491 -4.452 -11.844 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.260 -5.366 -11.792 1.00 0.00 C ATOM 953 CD2 LEU A 60 -7.306 -3.413 -12.965 1.00 0.00 C ATOM 0 H LEU A 60 -10.362 -4.735 -9.859 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.974 -3.595 -12.566 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.755 -6.158 -11.428 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.712 -5.702 -13.119 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.610 -3.929 -10.895 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.369 -4.766 -11.607 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.381 -6.094 -10.989 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.154 -5.889 -12.743 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.416 -2.817 -12.765 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.193 -3.925 -13.921 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.178 -2.760 -13.004 1.00 0.00 H new ATOM 965 N ARG A 61 -11.554 -5.354 -13.553 1.00 0.00 N ATOM 966 CA ARG A 61 -12.706 -6.121 -14.022 1.00 0.00 C ATOM 967 C ARG A 61 -12.381 -7.610 -14.063 1.00 0.00 C ATOM 968 O ARG A 61 -11.231 -8.010 -13.900 1.00 0.00 O ATOM 969 CB ARG A 61 -13.112 -5.637 -15.421 1.00 0.00 C ATOM 970 CG ARG A 61 -13.800 -4.260 -15.335 1.00 0.00 C ATOM 971 CD ARG A 61 -15.297 -4.429 -15.037 1.00 0.00 C ATOM 972 NE ARG A 61 -15.915 -3.131 -14.795 1.00 0.00 N ATOM 973 CZ ARG A 61 -17.226 -3.025 -14.606 1.00 0.00 C ATOM 974 NH1 ARG A 61 -17.975 -4.092 -14.638 1.00 0.00 N ATOM 975 NH2 ARG A 61 -17.764 -1.856 -14.385 1.00 0.00 N ATOM 0 H ARG A 61 -11.035 -4.877 -14.290 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.533 -5.968 -13.329 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.231 -5.571 -16.060 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.786 -6.359 -15.881 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.332 -3.661 -14.554 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.668 -3.721 -16.273 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.788 -4.922 -15.876 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.431 -5.071 -14.166 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.334 -2.293 -14.770 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.554 -5.006 -14.808 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.982 -4.013 -14.493 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.178 -1.022 -14.357 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.771 -1.777 -14.240 1.00 0.00 H new ATOM 989 N LYS A 62 -13.401 -8.431 -14.277 1.00 0.00 N ATOM 990 CA LYS A 62 -13.204 -9.875 -14.336 1.00 0.00 C ATOM 991 C LYS A 62 -12.259 -10.242 -15.480 1.00 0.00 C ATOM 992 O LYS A 62 -11.322 -11.027 -15.307 1.00 0.00 O ATOM 993 CB LYS A 62 -14.552 -10.567 -14.542 1.00 0.00 C ATOM 994 CG LYS A 62 -14.362 -12.080 -14.519 1.00 0.00 C ATOM 995 CD LYS A 62 -15.716 -12.764 -14.682 1.00 0.00 C ATOM 996 CE LYS A 62 -15.515 -14.275 -14.642 1.00 0.00 C ATOM 997 NZ LYS A 62 -16.830 -14.958 -14.786 1.00 0.00 N ATOM 0 H LYS A 62 -14.365 -8.126 -14.412 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.760 -10.206 -13.397 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.249 -10.266 -13.760 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.988 -10.260 -15.493 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.689 -12.385 -15.321 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.899 -12.385 -13.581 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -16.393 -12.453 -13.887 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -16.176 -12.470 -15.626 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.844 -14.584 -15.443 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.044 -14.565 -13.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.691 -15.988 -14.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.457 -14.672 -14.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.262 -14.691 -15.694 1.00 0.00 H new ATOM 1011 N LYS A 63 -12.513 -9.665 -16.648 1.00 0.00 N ATOM 1012 CA LYS A 63 -11.688 -9.931 -17.819 1.00 0.00 C ATOM 1013 C LYS A 63 -10.231 -9.565 -17.548 1.00 0.00 C ATOM 1014 O LYS A 63 -9.318 -10.263 -17.986 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.208 -9.128 -19.014 1.00 0.00 C ATOM 1016 CG LYS A 63 -12.056 -7.631 -18.728 1.00 0.00 C ATOM 1017 CD LYS A 63 -12.787 -6.815 -19.801 1.00 0.00 C ATOM 1018 CE LYS A 63 -12.053 -6.917 -21.141 1.00 0.00 C ATOM 1019 NZ LYS A 63 -12.582 -5.880 -22.072 1.00 0.00 N ATOM 0 H LYS A 63 -13.280 -9.013 -16.809 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.743 -10.996 -18.045 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.654 -9.395 -19.914 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.255 -9.369 -19.200 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.461 -7.398 -17.743 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.000 -7.361 -18.711 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.809 -7.178 -19.910 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.851 -5.771 -19.493 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.982 -6.778 -20.994 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.189 -7.910 -21.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.086 -5.946 -22.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.600 -6.033 -22.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.430 -4.936 -21.663 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.017 -8.476 -16.823 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.662 -8.047 -16.512 1.00 0.00 C ATOM 1035 C ASP A 64 -7.912 -9.151 -15.771 1.00 0.00 C ATOM 1036 O ASP A 64 -6.778 -9.474 -16.118 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.711 -6.789 -15.651 1.00 0.00 C ATOM 1038 CG ASP A 64 -9.141 -5.590 -16.488 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -9.115 -5.698 -17.702 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -9.496 -4.581 -15.900 1.00 0.00 O ATOM 0 H ASP A 64 -10.754 -7.881 -16.444 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.137 -7.832 -17.442 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.407 -6.933 -14.825 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.731 -6.602 -15.213 1.00 0.00 H new ATOM 1045 N LEU A 65 -8.555 -9.741 -14.766 1.00 0.00 N ATOM 1046 CA LEU A 65 -7.927 -10.821 -14.008 1.00 0.00 C ATOM 1047 C LEU A 65 -7.651 -12.011 -14.919 1.00 0.00 C ATOM 1048 O LEU A 65 -6.595 -12.638 -14.827 1.00 0.00 O ATOM 1049 CB LEU A 65 -8.829 -11.259 -12.835 1.00 0.00 C ATOM 1050 CG LEU A 65 -8.519 -10.434 -11.581 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -8.696 -8.945 -11.866 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -9.462 -10.849 -10.469 1.00 0.00 C ATOM 0 H LEU A 65 -9.496 -9.495 -14.461 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.984 -10.452 -13.605 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.877 -11.135 -13.109 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.677 -12.318 -12.627 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.486 -10.614 -11.283 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.472 -8.373 -10.966 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.018 -8.644 -12.665 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.724 -8.753 -12.172 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.247 -10.266 -9.573 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.492 -10.671 -10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.326 -11.909 -10.253 1.00 0.00 H new ATOM 1064 N ALA A 66 -8.601 -12.324 -15.792 1.00 0.00 N ATOM 1065 CA ALA A 66 -8.423 -13.451 -16.697 1.00 0.00 C ATOM 1066 C ALA A 66 -7.125 -13.300 -17.484 1.00 0.00 C ATOM 1067 O ALA A 66 -6.289 -14.204 -17.497 1.00 0.00 O ATOM 1068 CB ALA A 66 -9.601 -13.530 -17.668 1.00 0.00 C ATOM 0 H ALA A 66 -9.485 -11.825 -15.892 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.376 -14.366 -16.107 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.461 -14.375 -18.342 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.526 -13.662 -17.107 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.657 -12.609 -18.248 1.00 0.00 H new ATOM 1074 N LEU A 67 -6.960 -12.152 -18.132 1.00 0.00 N ATOM 1075 CA LEU A 67 -5.750 -11.893 -18.909 1.00 0.00 C ATOM 1076 C LEU A 67 -4.534 -11.742 -18.000 1.00 0.00 C ATOM 1077 O LEU A 67 -3.451 -12.232 -18.314 1.00 0.00 O ATOM 1078 CB LEU A 67 -5.933 -10.617 -19.749 1.00 0.00 C ATOM 1079 CG LEU A 67 -6.679 -10.945 -21.053 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -5.785 -11.785 -21.993 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -7.964 -11.720 -20.726 1.00 0.00 C ATOM 0 H LEU A 67 -7.640 -11.392 -18.136 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.580 -12.744 -19.568 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.491 -9.874 -19.179 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.961 -10.180 -19.977 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.932 -10.013 -21.558 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.330 -12.007 -22.911 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.882 -11.224 -22.234 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.512 -12.717 -21.498 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.493 -11.953 -21.650 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.709 -12.646 -20.210 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.603 -11.112 -20.085 1.00 0.00 H new ATOM 1093 N LEU A 68 -4.714 -11.052 -16.883 1.00 0.00 N ATOM 1094 CA LEU A 68 -3.612 -10.832 -15.957 1.00 0.00 C ATOM 1095 C LEU A 68 -3.044 -12.163 -15.492 1.00 0.00 C ATOM 1096 O LEU A 68 -3.792 -13.071 -15.124 1.00 0.00 O ATOM 1097 CB LEU A 68 -4.100 -10.029 -14.747 1.00 0.00 C ATOM 1098 CG LEU A 68 -2.901 -9.504 -13.932 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -2.403 -8.178 -14.521 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.327 -9.266 -12.480 1.00 0.00 C ATOM 0 H LEU A 68 -5.602 -10.639 -16.598 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.830 -10.272 -16.469 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.715 -9.193 -15.081 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.730 -10.656 -14.116 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.103 -10.245 -13.971 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.556 -7.816 -13.938 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.092 -8.333 -15.554 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.206 -7.442 -14.490 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.477 -8.895 -11.908 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.131 -8.531 -12.453 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.676 -10.202 -12.045 1.00 0.00 H new ATOM 1112 N GLU A 69 -1.720 -12.282 -15.517 1.00 0.00 N ATOM 1113 CA GLU A 69 -1.077 -13.523 -15.102 1.00 0.00 C ATOM 1114 C GLU A 69 -1.046 -13.620 -13.581 1.00 0.00 C ATOM 1115 O GLU A 69 -0.322 -12.877 -12.915 1.00 0.00 O ATOM 1116 CB GLU A 69 0.350 -13.591 -15.651 1.00 0.00 C ATOM 1117 CG GLU A 69 0.356 -13.214 -17.136 1.00 0.00 C ATOM 1118 CD GLU A 69 -0.459 -14.226 -17.934 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -0.673 -15.315 -17.427 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -0.852 -13.901 -19.041 1.00 0.00 O ATOM 0 H GLU A 69 -1.080 -11.546 -15.816 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.652 -14.359 -15.501 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.996 -12.914 -15.092 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.752 -14.596 -15.520 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.060 -12.215 -17.268 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.380 -13.185 -17.508 1.00 0.00 H new ATOM 1127 N VAL A 70 -1.835 -14.546 -13.036 1.00 0.00 N ATOM 1128 CA VAL A 70 -1.895 -14.751 -11.586 1.00 0.00 C ATOM 1129 C VAL A 70 -1.855 -16.233 -11.257 1.00 0.00 C ATOM 1130 O VAL A 70 -2.202 -17.073 -12.086 1.00 0.00 O ATOM 1131 CB VAL A 70 -3.178 -14.139 -11.018 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -3.102 -12.612 -11.091 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -4.377 -14.627 -11.835 1.00 0.00 C ATOM 0 H VAL A 70 -2.441 -15.166 -13.574 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.031 -14.262 -11.136 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.292 -14.444 -9.978 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.018 -12.182 -10.685 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.249 -12.262 -10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.985 -12.303 -12.130 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.292 -14.193 -11.433 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.257 -14.322 -12.875 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.437 -15.714 -11.780 1.00 0.00 H new ATOM 1143 N GLU A 71 -1.430 -16.548 -10.036 1.00 0.00 N ATOM 1144 CA GLU A 71 -1.342 -17.941 -9.594 1.00 0.00 C ATOM 1145 C GLU A 71 -1.761 -18.065 -8.133 1.00 0.00 C ATOM 1146 O GLU A 71 -1.377 -17.249 -7.296 1.00 0.00 O ATOM 1147 CB GLU A 71 0.093 -18.454 -9.757 1.00 0.00 C ATOM 1148 CG GLU A 71 0.472 -18.507 -11.242 1.00 0.00 C ATOM 1149 CD GLU A 71 -0.405 -19.516 -11.979 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -0.960 -20.380 -11.321 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -0.505 -19.410 -13.190 1.00 0.00 O ATOM 0 H GLU A 71 -1.142 -15.863 -9.337 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.014 -18.540 -10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.783 -17.802 -9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.184 -19.446 -9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.356 -17.520 -11.689 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.521 -18.783 -11.347 1.00 0.00 H new ATOM 1158 N ALA A 72 -2.547 -19.097 -7.836 1.00 0.00 N ATOM 1159 CA ALA A 72 -3.014 -19.331 -6.473 1.00 0.00 C ATOM 1160 C ALA A 72 -2.009 -20.189 -5.712 1.00 0.00 C ATOM 1161 O ALA A 72 -1.750 -21.335 -6.082 1.00 0.00 O ATOM 1162 CB ALA A 72 -4.372 -20.036 -6.503 1.00 0.00 C ATOM 0 H ALA A 72 -2.873 -19.782 -8.518 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.116 -18.371 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.715 -20.208 -5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.095 -19.412 -7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.275 -20.991 -7.019 1.00 0.00 H new ATOM 1168 N VAL A 73 -1.443 -19.624 -4.652 1.00 0.00 N ATOM 1169 CA VAL A 73 -0.460 -20.342 -3.847 1.00 0.00 C ATOM 1170 C VAL A 73 -1.109 -21.542 -3.163 1.00 0.00 C ATOM 1171 O VAL A 73 -2.050 -22.137 -3.690 1.00 0.00 O ATOM 1172 CB VAL A 73 0.153 -19.395 -2.790 1.00 0.00 C ATOM 1173 CG1 VAL A 73 1.617 -19.771 -2.524 1.00 0.00 C ATOM 1174 CG2 VAL A 73 0.089 -17.953 -3.302 1.00 0.00 C ATOM 0 H VAL A 73 -1.645 -18.677 -4.331 1.00 0.00 H new ATOM 0 HA VAL A 73 0.333 -20.701 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.413 -19.487 -1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.036 -19.096 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.668 -20.796 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.188 -19.689 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.521 -17.283 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.651 -17.872 -4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.950 -17.676 -3.480 1.00 0.00 H new ATOM 1184 N SER A 74 -0.600 -21.889 -1.988 1.00 0.00 N ATOM 1185 CA SER A 74 -1.137 -23.016 -1.238 1.00 0.00 C ATOM 1186 C SER A 74 -1.274 -24.238 -2.140 1.00 0.00 C ATOM 1187 O SER A 74 -2.338 -24.852 -2.213 1.00 0.00 O ATOM 1188 CB SER A 74 -2.503 -22.646 -0.654 1.00 0.00 C ATOM 1189 OG SER A 74 -3.255 -21.941 -1.634 1.00 0.00 O ATOM 0 H SER A 74 0.179 -21.410 -1.536 1.00 0.00 H new ATOM 0 HA SER A 74 -0.450 -23.256 -0.426 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.036 -23.546 -0.347 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.376 -22.031 0.237 1.00 0.00 H new ATOM 0 HG SER A 74 -3.229 -22.432 -2.482 1.00 0.00 H new ATOM 1195 N SER A 75 -0.187 -24.585 -2.823 1.00 0.00 N ATOM 1196 CA SER A 75 -0.190 -25.737 -3.720 1.00 0.00 C ATOM 1197 C SER A 75 1.212 -26.319 -3.852 1.00 0.00 C ATOM 1198 O SER A 75 2.201 -25.667 -3.520 1.00 0.00 O ATOM 1199 CB SER A 75 -0.700 -25.327 -5.100 1.00 0.00 C ATOM 1200 OG SER A 75 0.031 -24.195 -5.555 1.00 0.00 O ATOM 0 H SER A 75 0.703 -24.088 -2.773 1.00 0.00 H new ATOM 0 HA SER A 75 -0.850 -26.495 -3.298 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.587 -26.153 -5.802 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.763 -25.092 -5.052 1.00 0.00 H new ATOM 0 HG SER A 75 -0.293 -23.931 -6.441 1.00 0.00 H new ATOM 1206 N LEU A 76 1.285 -27.552 -4.340 1.00 0.00 N ATOM 1207 CA LEU A 76 2.567 -28.223 -4.514 1.00 0.00 C ATOM 1208 C LEU A 76 3.289 -28.346 -3.174 1.00 0.00 C ATOM 1209 O LEU A 76 4.496 -28.128 -3.085 1.00 0.00 O ATOM 1210 CB LEU A 76 3.443 -27.434 -5.496 1.00 0.00 C ATOM 1211 CG LEU A 76 4.600 -28.323 -6.005 1.00 0.00 C ATOM 1212 CD1 LEU A 76 4.142 -29.134 -7.224 1.00 0.00 C ATOM 1213 CD2 LEU A 76 5.790 -27.447 -6.410 1.00 0.00 C ATOM 0 H LEU A 76 0.475 -28.105 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 76 2.384 -29.221 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.841 -27.090 -6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.844 -26.547 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 76 4.897 -29.001 -5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.964 -29.758 -7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.300 -29.767 -6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.836 -28.454 -8.019 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.602 -28.080 -6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.486 -26.764 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.130 -26.873 -5.548 1.00 0.00 H new ATOM 1225 N GLU A 77 2.538 -28.690 -2.135 1.00 0.00 N ATOM 1226 CA GLU A 77 3.113 -28.835 -0.803 1.00 0.00 C ATOM 1227 C GLU A 77 4.092 -30.005 -0.765 1.00 0.00 C ATOM 1228 O GLU A 77 5.081 -29.975 -0.033 1.00 0.00 O ATOM 1229 CB GLU A 77 2.002 -29.065 0.222 1.00 0.00 C ATOM 1230 CG GLU A 77 1.152 -27.800 0.341 1.00 0.00 C ATOM 1231 CD GLU A 77 -0.021 -28.049 1.284 1.00 0.00 C ATOM 1232 OE1 GLU A 77 -0.104 -29.142 1.818 1.00 0.00 O ATOM 1233 OE2 GLU A 77 -0.818 -27.142 1.458 1.00 0.00 O ATOM 0 H GLU A 77 1.536 -28.873 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 77 3.650 -27.919 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.380 -29.907 -0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.432 -29.320 1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.761 -26.976 0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.784 -27.505 -0.642 1.00 0.00 H new ATOM 1240 N HIS A 78 3.804 -31.037 -1.555 1.00 0.00 N ATOM 1241 CA HIS A 78 4.657 -32.225 -1.606 1.00 0.00 C ATOM 1242 C HIS A 78 4.685 -32.806 -3.015 1.00 0.00 C ATOM 1243 O HIS A 78 3.894 -32.415 -3.873 1.00 0.00 O ATOM 1244 CB HIS A 78 4.135 -33.280 -0.628 1.00 0.00 C ATOM 1245 CG HIS A 78 2.708 -33.613 -0.964 1.00 0.00 C ATOM 1246 ND1 HIS A 78 1.662 -32.749 -0.681 1.00 0.00 N ATOM 1247 CD2 HIS A 78 2.136 -34.712 -1.556 1.00 0.00 C ATOM 1248 CE1 HIS A 78 0.525 -33.337 -1.098 1.00 0.00 C ATOM 1249 NE2 HIS A 78 0.757 -34.535 -1.640 1.00 0.00 N ATOM 0 H HIS A 78 2.989 -31.076 -2.167 1.00 0.00 H new ATOM 0 HA HIS A 78 5.670 -31.936 -1.326 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.751 -34.177 -0.682 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.202 -32.908 0.394 1.00 0.00 H new ATOM 0 HD2 HIS A 78 2.674 -35.582 -1.904 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -0.455 -32.894 -1.005 1.00 0.00 H new ATOM 0 HE2 HIS A 78 0.072 -35.181 -2.031 1.00 0.00 H new ATOM 1257 N HIS A 79 5.604 -33.737 -3.247 1.00 0.00 N ATOM 1258 CA HIS A 79 5.729 -34.361 -4.558 1.00 0.00 C ATOM 1259 C HIS A 79 4.435 -35.071 -4.939 1.00 0.00 C ATOM 1260 O HIS A 79 3.857 -35.804 -4.135 1.00 0.00 O ATOM 1261 CB HIS A 79 6.880 -35.369 -4.548 1.00 0.00 C ATOM 1262 CG HIS A 79 8.172 -34.656 -4.257 1.00 0.00 C ATOM 1263 ND1 HIS A 79 8.784 -33.827 -5.183 1.00 0.00 N ATOM 1264 CD2 HIS A 79 8.981 -34.639 -3.147 1.00 0.00 C ATOM 1265 CE1 HIS A 79 9.909 -33.350 -4.620 1.00 0.00 C ATOM 1266 NE2 HIS A 79 10.077 -33.814 -3.378 1.00 0.00 N ATOM 0 H HIS A 79 6.268 -34.074 -2.550 1.00 0.00 H new ATOM 0 HA HIS A 79 5.933 -33.582 -5.292 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.699 -36.136 -3.795 1.00 0.00 H new ATOM 0 HB3 HIS A 79 6.941 -35.876 -5.511 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.794 -35.184 -2.233 1.00 0.00 H new ATOM 0 HE1 HIS A 79 10.593 -32.674 -5.112 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.844 -33.608 -2.738 1.00 0.00 H new ATOM 1274 N HIS A 80 3.985 -34.846 -6.170 1.00 0.00 N ATOM 1275 CA HIS A 80 2.754 -35.465 -6.653 1.00 0.00 C ATOM 1276 C HIS A 80 3.034 -36.862 -7.197 1.00 0.00 C ATOM 1277 O HIS A 80 3.949 -37.054 -7.998 1.00 0.00 O ATOM 1278 CB HIS A 80 2.134 -34.604 -7.754 1.00 0.00 C ATOM 1279 CG HIS A 80 0.770 -35.135 -8.098 1.00 0.00 C ATOM 1280 ND1 HIS A 80 0.590 -36.195 -8.973 1.00 0.00 N ATOM 1281 CD2 HIS A 80 -0.487 -34.767 -7.690 1.00 0.00 C ATOM 1282 CE1 HIS A 80 -0.733 -36.425 -9.062 1.00 0.00 C ATOM 1283 NE2 HIS A 80 -1.435 -35.582 -8.301 1.00 0.00 N ATOM 0 H HIS A 80 4.451 -34.243 -6.848 1.00 0.00 H new ATOM 0 HA HIS A 80 2.058 -35.545 -5.818 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.060 -33.568 -7.422 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.772 -34.610 -8.638 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.707 -33.966 -6.999 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.173 -37.198 -9.675 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.448 -35.544 -8.191 1.00 0.00 H new ATOM 1291 N HIS A 81 2.240 -37.834 -6.756 1.00 0.00 N ATOM 1292 CA HIS A 81 2.407 -39.215 -7.203 1.00 0.00 C ATOM 1293 C HIS A 81 1.072 -39.948 -7.179 1.00 0.00 C ATOM 1294 O HIS A 81 0.207 -39.659 -6.351 1.00 0.00 O ATOM 1295 CB HIS A 81 3.406 -39.938 -6.298 1.00 0.00 C ATOM 1296 CG HIS A 81 2.925 -39.880 -4.874 1.00 0.00 C ATOM 1297 ND1 HIS A 81 2.969 -38.714 -4.126 1.00 0.00 N ATOM 1298 CD2 HIS A 81 2.386 -40.835 -4.048 1.00 0.00 C ATOM 1299 CE1 HIS A 81 2.472 -38.994 -2.908 1.00 0.00 C ATOM 1300 NE2 HIS A 81 2.101 -40.274 -2.807 1.00 0.00 N ATOM 0 H HIS A 81 1.478 -37.693 -6.093 1.00 0.00 H new ATOM 0 HA HIS A 81 2.785 -39.205 -8.225 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.515 -40.975 -6.614 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.389 -39.475 -6.380 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.315 -37.808 -4.442 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.210 -41.865 -4.320 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.384 -38.273 -2.109 1.00 0.00 H new ATOM 1308 N HIS A 82 0.909 -40.898 -8.096 1.00 0.00 N ATOM 1309 CA HIS A 82 -0.326 -41.673 -8.180 1.00 0.00 C ATOM 1310 C HIS A 82 -0.061 -43.037 -8.809 1.00 0.00 C ATOM 1311 O HIS A 82 0.762 -43.163 -9.715 1.00 0.00 O ATOM 1312 CB HIS A 82 -1.362 -40.918 -9.014 1.00 0.00 C ATOM 1313 CG HIS A 82 -2.659 -41.679 -9.007 1.00 0.00 C ATOM 1314 ND1 HIS A 82 -2.928 -42.686 -9.919 1.00 0.00 N ATOM 1315 CD2 HIS A 82 -3.769 -41.594 -8.203 1.00 0.00 C ATOM 1316 CE1 HIS A 82 -4.156 -43.164 -9.647 1.00 0.00 C ATOM 1317 NE2 HIS A 82 -4.714 -42.533 -8.610 1.00 0.00 N ATOM 0 H HIS A 82 1.614 -41.149 -8.789 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.710 -41.819 -7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.512 -39.917 -8.609 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -1.004 -40.797 -10.036 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -3.891 -40.904 -7.381 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.632 -43.960 -10.199 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.634 -42.702 -8.204 1.00 0.00 H new ATOM 1325 N HIS A 83 -0.765 -44.054 -8.320 1.00 0.00 N ATOM 1326 CA HIS A 83 -0.600 -45.408 -8.841 1.00 0.00 C ATOM 1327 C HIS A 83 -1.846 -46.241 -8.564 1.00 0.00 C ATOM 1328 O HIS A 83 -2.400 -46.774 -9.511 1.00 0.00 O ATOM 1329 CB HIS A 83 0.615 -46.072 -8.191 1.00 0.00 C ATOM 1330 CG HIS A 83 0.873 -47.398 -8.849 1.00 0.00 C ATOM 1331 ND1 HIS A 83 0.376 -48.586 -8.338 1.00 0.00 N ATOM 1332 CD2 HIS A 83 1.571 -47.740 -9.981 1.00 0.00 C ATOM 1333 CE1 HIS A 83 0.778 -49.578 -9.153 1.00 0.00 C ATOM 1334 NE2 HIS A 83 1.510 -49.117 -10.171 1.00 0.00 N ATOM 1335 OXT HIS A 83 -2.230 -46.334 -7.410 1.00 0.00 O ATOM 0 H HIS A 83 -1.450 -43.968 -7.569 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.448 -45.348 -9.919 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.490 -45.429 -8.289 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.439 -46.211 -7.124 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.089 -47.046 -10.626 1.00 0.00 H new ATOM 0 HE1 HIS A 83 0.538 -50.620 -9.003 1.00 0.00 H new ATOM 0 HE2 HIS A 83 1.933 -49.658 -10.925 1.00 0.00 H new TER 1343 HIS A 83