USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 748 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 72 ASN : amide:sc= 0.784 K(o=2.1,f=-5.9!) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -115:sc= 1.3 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.368 USER MOD Single : A 8 HIS : no HD1:sc= -0.313 K(o=-0.31,f=-0.85) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 19 LYS NZ :NH3+ 138:sc= 1.25 (180deg=1.16) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= 0.488 K(o=0.49,f=-1.6!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.966 K(o=0.97,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HE2:sc= 0.196 K(o=0.2,f=-3!) USER MOD Single : A 58 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.66) USER MOD Single : A 62 HIS : no HE2:sc= -3.91 K(o=-3.6,f=-8.3!) USER MOD Single : A 63 CYS SG : rot -0:sc= 0.0102 USER MOD Single : A 64 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.051) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 10.078 -6.113 -6.197 1.00 0.00 N ATOM 12 CA LEU A 2 8.670 -5.740 -6.152 1.00 0.00 C ATOM 13 C LEU A 2 7.795 -6.792 -6.839 1.00 0.00 C ATOM 14 O LEU A 2 7.229 -6.552 -7.907 1.00 0.00 O ATOM 15 CB LEU A 2 8.453 -4.342 -6.750 1.00 0.00 C ATOM 16 CG LEU A 2 9.430 -3.281 -6.217 1.00 0.00 C ATOM 17 CD1 LEU A 2 10.685 -3.221 -7.094 1.00 0.00 C ATOM 18 CD2 LEU A 2 8.780 -1.896 -6.187 1.00 0.00 C ATOM 0 HA LEU A 2 8.365 -5.700 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.551 -4.401 -7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.433 -4.021 -6.540 1.00 0.00 H new ATOM 0 HG LEU A 2 9.702 -3.568 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.366 -2.465 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 2 11.179 -4.192 -7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.404 -2.963 -8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 2 9.495 -1.167 -5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.477 -1.614 -7.195 1.00 0.00 H new ATOM 0 HD23 LEU A 2 7.904 -1.919 -5.538 1.00 0.00 H new ATOM 30 N THR A 3 7.719 -7.971 -6.235 1.00 0.00 N ATOM 31 CA THR A 3 6.928 -9.093 -6.728 1.00 0.00 C ATOM 32 C THR A 3 5.434 -8.701 -6.697 1.00 0.00 C ATOM 33 O THR A 3 5.061 -7.696 -6.091 1.00 0.00 O ATOM 34 CB THR A 3 7.324 -10.310 -5.875 1.00 0.00 C ATOM 35 OG1 THR A 3 8.735 -10.438 -5.943 1.00 0.00 O ATOM 36 CG2 THR A 3 6.702 -11.633 -6.320 1.00 0.00 C ATOM 0 H THR A 3 8.217 -8.179 -5.369 1.00 0.00 H new ATOM 0 HA THR A 3 7.119 -9.357 -7.768 1.00 0.00 H new ATOM 0 HB THR A 3 6.952 -10.124 -4.868 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.020 -11.207 -5.406 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.038 -12.433 -5.660 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.616 -11.558 -6.275 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.008 -11.853 -7.343 1.00 0.00 H new ATOM 44 N THR A 4 4.541 -9.429 -7.366 1.00 0.00 N ATOM 45 CA THR A 4 3.112 -9.104 -7.389 1.00 0.00 C ATOM 46 C THR A 4 2.320 -10.308 -6.871 1.00 0.00 C ATOM 47 O THR A 4 2.759 -11.452 -7.024 1.00 0.00 O ATOM 48 CB THR A 4 2.750 -8.648 -8.817 1.00 0.00 C ATOM 49 OG1 THR A 4 3.633 -7.600 -9.204 1.00 0.00 O ATOM 50 CG2 THR A 4 1.319 -8.123 -8.961 1.00 0.00 C ATOM 0 H THR A 4 4.785 -10.259 -7.907 1.00 0.00 H new ATOM 0 HA THR A 4 2.853 -8.278 -6.726 1.00 0.00 H new ATOM 0 HB THR A 4 2.840 -9.532 -9.449 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.412 -7.304 -10.112 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.144 -7.823 -9.994 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.614 -8.908 -8.687 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.179 -7.264 -8.305 1.00 0.00 H new ATOM 58 N ILE A 5 1.209 -10.050 -6.179 1.00 0.00 N ATOM 59 CA ILE A 5 0.322 -11.068 -5.621 1.00 0.00 C ATOM 60 C ILE A 5 -1.118 -10.687 -5.970 1.00 0.00 C ATOM 61 O ILE A 5 -1.361 -9.531 -6.338 1.00 0.00 O ATOM 62 CB ILE A 5 0.582 -11.314 -4.109 1.00 0.00 C ATOM 63 CG1 ILE A 5 -0.005 -10.285 -3.118 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.079 -11.523 -3.804 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.370 -8.827 -3.373 1.00 0.00 C ATOM 0 H ILE A 5 0.894 -9.099 -5.987 1.00 0.00 H new ATOM 0 HA ILE A 5 0.528 -12.040 -6.069 1.00 0.00 H new ATOM 0 HB ILE A 5 0.019 -12.230 -3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.092 -10.370 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.318 -10.553 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.213 -11.691 -2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.445 -12.388 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.639 -10.637 -4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.097 -8.194 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.453 -8.715 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.022 -8.529 -4.362 1.00 0.00 H new ATOM 77 N SER A 6 -2.057 -11.638 -5.898 1.00 0.00 N ATOM 78 CA SER A 6 -3.458 -11.365 -6.198 1.00 0.00 C ATOM 79 C SER A 6 -3.992 -10.340 -5.177 1.00 0.00 C ATOM 80 O SER A 6 -3.421 -10.191 -4.088 1.00 0.00 O ATOM 81 CB SER A 6 -4.254 -12.678 -6.216 1.00 0.00 C ATOM 82 OG SER A 6 -4.313 -13.233 -4.924 1.00 0.00 O ATOM 0 H SER A 6 -1.866 -12.604 -5.633 1.00 0.00 H new ATOM 0 HA SER A 6 -3.569 -10.927 -7.190 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.263 -12.494 -6.586 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.787 -13.385 -6.901 1.00 0.00 H new ATOM 0 HG SER A 6 -4.824 -14.069 -4.950 1.00 0.00 H new ATOM 88 N PRO A 7 -5.121 -9.666 -5.439 1.00 0.00 N ATOM 89 CA PRO A 7 -5.629 -8.684 -4.511 1.00 0.00 C ATOM 90 C PRO A 7 -5.935 -9.246 -3.115 1.00 0.00 C ATOM 91 O PRO A 7 -5.609 -8.595 -2.120 1.00 0.00 O ATOM 92 CB PRO A 7 -6.799 -7.993 -5.207 1.00 0.00 C ATOM 93 CG PRO A 7 -7.245 -9.010 -6.253 1.00 0.00 C ATOM 94 CD PRO A 7 -5.934 -9.691 -6.635 1.00 0.00 C ATOM 0 HA PRO A 7 -4.864 -7.944 -4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.601 -7.760 -4.507 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.494 -7.053 -5.666 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.967 -9.719 -5.847 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.717 -8.530 -7.110 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.107 -10.714 -6.971 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.443 -9.165 -7.454 1.00 0.00 H new ATOM 102 N HIS A 8 -6.542 -10.428 -2.995 1.00 0.00 N ATOM 103 CA HIS A 8 -6.849 -10.984 -1.677 1.00 0.00 C ATOM 104 C HIS A 8 -5.594 -11.597 -1.030 1.00 0.00 C ATOM 105 O HIS A 8 -5.535 -11.699 0.198 1.00 0.00 O ATOM 106 CB HIS A 8 -8.015 -11.970 -1.800 1.00 0.00 C ATOM 107 CG HIS A 8 -9.007 -11.958 -0.662 1.00 0.00 C ATOM 108 ND1 HIS A 8 -8.925 -12.665 0.515 1.00 0.00 N ATOM 109 CD2 HIS A 8 -10.222 -11.323 -0.674 1.00 0.00 C ATOM 110 CE1 HIS A 8 -10.063 -12.461 1.198 1.00 0.00 C ATOM 111 NE2 HIS A 8 -10.884 -11.645 0.513 1.00 0.00 N ATOM 0 H HIS A 8 -6.827 -11.011 -3.782 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.166 -10.188 -1.003 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.550 -11.758 -2.726 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.607 -12.977 -1.891 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -10.600 -10.687 -1.461 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.288 -12.892 2.163 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -11.808 -11.325 0.803 1.00 0.00 H new ATOM 119 N ASP A 9 -4.580 -11.991 -1.816 1.00 0.00 N ATOM 120 CA ASP A 9 -3.337 -12.564 -1.288 1.00 0.00 C ATOM 121 C ASP A 9 -2.628 -11.511 -0.439 1.00 0.00 C ATOM 122 O ASP A 9 -2.013 -11.859 0.564 1.00 0.00 O ATOM 123 CB ASP A 9 -2.364 -13.021 -2.389 1.00 0.00 C ATOM 124 CG ASP A 9 -2.556 -14.436 -2.929 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.740 -14.844 -3.786 1.00 0.00 O ATOM 126 OD2 ASP A 9 -3.505 -15.156 -2.528 1.00 0.00 O ATOM 0 H ASP A 9 -4.601 -11.921 -2.833 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.616 -13.442 -0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.443 -12.325 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.349 -12.940 -2.001 1.00 0.00 H new ATOM 131 N ALA A 10 -2.719 -10.222 -0.794 1.00 0.00 N ATOM 132 CA ALA A 10 -2.084 -9.157 -0.023 1.00 0.00 C ATOM 133 C ALA A 10 -2.589 -9.199 1.418 1.00 0.00 C ATOM 134 O ALA A 10 -1.784 -9.158 2.350 1.00 0.00 O ATOM 135 CB ALA A 10 -2.370 -7.794 -0.652 1.00 0.00 C ATOM 0 H ALA A 10 -3.230 -9.896 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.005 -9.310 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.888 -7.013 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.980 -7.774 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.446 -7.621 -0.673 1.00 0.00 H new ATOM 141 N GLN A 11 -3.915 -9.284 1.585 1.00 0.00 N ATOM 142 CA GLN A 11 -4.585 -9.348 2.877 1.00 0.00 C ATOM 143 C GLN A 11 -4.014 -10.527 3.667 1.00 0.00 C ATOM 144 O GLN A 11 -3.736 -10.411 4.853 1.00 0.00 O ATOM 145 CB GLN A 11 -6.101 -9.470 2.653 1.00 0.00 C ATOM 146 CG GLN A 11 -6.938 -8.672 3.662 1.00 0.00 C ATOM 147 CD GLN A 11 -7.212 -9.371 4.981 1.00 0.00 C ATOM 148 OE1 GLN A 11 -6.343 -9.547 5.823 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.451 -9.759 5.199 1.00 0.00 N ATOM 0 H GLN A 11 -4.564 -9.310 0.799 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.413 -8.442 3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.339 -9.129 1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.385 -10.521 2.709 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.427 -7.732 3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.892 -8.421 3.199 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.166 -9.606 4.488 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.696 -10.213 6.079 1.00 0.00 H new ATOM 158 N GLU A 12 -3.835 -11.675 3.014 1.00 0.00 N ATOM 159 CA GLU A 12 -3.285 -12.886 3.602 1.00 0.00 C ATOM 160 C GLU A 12 -1.891 -12.632 4.156 1.00 0.00 C ATOM 161 O GLU A 12 -1.571 -13.128 5.229 1.00 0.00 O ATOM 162 CB GLU A 12 -3.214 -13.966 2.513 1.00 0.00 C ATOM 163 CG GLU A 12 -3.407 -15.373 3.061 1.00 0.00 C ATOM 164 CD GLU A 12 -4.872 -15.762 3.268 1.00 0.00 C ATOM 165 OE1 GLU A 12 -5.151 -16.985 3.254 1.00 0.00 O ATOM 166 OE2 GLU A 12 -5.744 -14.865 3.389 1.00 0.00 O ATOM 0 H GLU A 12 -4.078 -11.786 2.030 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.925 -13.210 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.977 -13.767 1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.248 -13.906 2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.945 -16.085 2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.881 -15.457 4.012 1.00 0.00 H new ATOM 173 N LEU A 13 -1.054 -11.875 3.448 1.00 0.00 N ATOM 174 CA LEU A 13 0.299 -11.616 3.911 1.00 0.00 C ATOM 175 C LEU A 13 0.238 -10.703 5.128 1.00 0.00 C ATOM 176 O LEU A 13 0.896 -10.980 6.130 1.00 0.00 O ATOM 177 CB LEU A 13 1.167 -11.105 2.748 1.00 0.00 C ATOM 178 CG LEU A 13 1.303 -12.156 1.618 1.00 0.00 C ATOM 179 CD1 LEU A 13 2.043 -11.610 0.394 1.00 0.00 C ATOM 180 CD2 LEU A 13 2.018 -13.423 2.092 1.00 0.00 C ATOM 0 H LEU A 13 -1.291 -11.435 2.559 1.00 0.00 H new ATOM 0 HA LEU A 13 0.792 -12.529 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.729 -10.192 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.157 -10.845 3.122 1.00 0.00 H new ATOM 0 HG LEU A 13 0.280 -12.401 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.110 -12.387 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.500 -10.755 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.046 -11.299 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.090 -14.131 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.019 -13.168 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.455 -13.875 2.909 1.00 0.00 H new ATOM 192 N ILE A 14 -0.574 -9.643 5.080 1.00 0.00 N ATOM 193 CA ILE A 14 -0.730 -8.705 6.192 1.00 0.00 C ATOM 194 C ILE A 14 -1.239 -9.475 7.422 1.00 0.00 C ATOM 195 O ILE A 14 -0.685 -9.330 8.514 1.00 0.00 O ATOM 196 CB ILE A 14 -1.626 -7.519 5.767 1.00 0.00 C ATOM 197 CG1 ILE A 14 -0.975 -6.688 4.633 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.884 -6.557 6.933 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.011 -6.175 3.621 1.00 0.00 C ATOM 0 H ILE A 14 -1.143 -9.412 4.266 1.00 0.00 H new ATOM 0 HA ILE A 14 0.225 -8.260 6.471 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.560 -7.965 5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.442 -5.841 5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.236 -7.299 4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.517 -5.737 6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.383 -7.091 7.742 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.935 -6.158 7.293 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.507 -5.598 2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.526 -7.021 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.736 -5.541 4.132 1.00 0.00 H new ATOM 211 N ALA A 15 -2.229 -10.355 7.246 1.00 0.00 N ATOM 212 CA ALA A 15 -2.804 -11.165 8.314 1.00 0.00 C ATOM 213 C ALA A 15 -1.756 -12.065 8.974 1.00 0.00 C ATOM 214 O ALA A 15 -1.851 -12.353 10.170 1.00 0.00 O ATOM 215 CB ALA A 15 -3.939 -12.016 7.741 1.00 0.00 C ATOM 0 H ALA A 15 -2.659 -10.525 6.337 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.188 -10.495 9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.374 -12.624 8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.706 -11.365 7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.547 -12.666 6.959 1.00 0.00 H new ATOM 221 N ARG A 16 -0.764 -12.536 8.213 1.00 0.00 N ATOM 222 CA ARG A 16 0.297 -13.390 8.739 1.00 0.00 C ATOM 223 C ARG A 16 1.363 -12.557 9.453 1.00 0.00 C ATOM 224 O ARG A 16 2.019 -13.086 10.350 1.00 0.00 O ATOM 225 CB ARG A 16 0.903 -14.229 7.605 1.00 0.00 C ATOM 226 CG ARG A 16 -0.119 -15.205 7.002 1.00 0.00 C ATOM 227 CD ARG A 16 0.432 -15.740 5.680 1.00 0.00 C ATOM 228 NE ARG A 16 -0.453 -16.750 5.080 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.437 -17.146 3.801 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.515 -16.730 2.975 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.395 -17.951 3.351 1.00 0.00 N ATOM 0 H ARG A 16 -0.677 -12.335 7.217 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.129 -14.070 9.477 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.277 -13.567 6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.758 -14.788 7.985 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.309 -16.027 7.692 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.071 -14.701 6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.564 -14.913 4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.417 -16.176 5.848 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.140 -17.188 5.693 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.245 -16.102 3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.517 -17.038 2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.136 -18.263 3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.389 -18.257 2.378 1.00 0.00 H new ATOM 245 N GLY A 17 1.529 -11.279 9.104 1.00 0.00 N ATOM 246 CA GLY A 17 2.507 -10.389 9.725 1.00 0.00 C ATOM 247 C GLY A 17 3.026 -9.274 8.814 1.00 0.00 C ATOM 248 O GLY A 17 3.729 -8.388 9.307 1.00 0.00 O ATOM 0 H GLY A 17 0.979 -10.829 8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.057 -9.937 10.609 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.354 -10.984 10.067 1.00 0.00 H new ATOM 252 N ALA A 18 2.717 -9.272 7.512 1.00 0.00 N ATOM 253 CA ALA A 18 3.179 -8.224 6.604 1.00 0.00 C ATOM 254 C ALA A 18 2.529 -6.870 6.948 1.00 0.00 C ATOM 255 O ALA A 18 1.675 -6.762 7.833 1.00 0.00 O ATOM 256 CB ALA A 18 2.946 -8.623 5.137 1.00 0.00 C ATOM 0 H ALA A 18 2.146 -9.989 7.065 1.00 0.00 H new ATOM 0 HA ALA A 18 4.254 -8.106 6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.299 -7.826 4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.493 -9.540 4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.881 -8.786 4.969 1.00 0.00 H new ATOM 262 N LYS A 19 2.908 -5.816 6.225 1.00 0.00 N ATOM 263 CA LYS A 19 2.419 -4.447 6.400 1.00 0.00 C ATOM 264 C LYS A 19 1.896 -3.904 5.076 1.00 0.00 C ATOM 265 O LYS A 19 2.250 -4.419 4.016 1.00 0.00 O ATOM 266 CB LYS A 19 3.567 -3.564 6.948 1.00 0.00 C ATOM 267 CG LYS A 19 3.335 -3.040 8.369 1.00 0.00 C ATOM 268 CD LYS A 19 2.144 -2.079 8.469 1.00 0.00 C ATOM 269 CE LYS A 19 1.796 -1.904 9.945 1.00 0.00 C ATOM 270 NZ LYS A 19 0.412 -1.435 10.138 1.00 0.00 N ATOM 0 H LYS A 19 3.591 -5.895 5.472 1.00 0.00 H new ATOM 0 HA LYS A 19 1.595 -4.438 7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.492 -4.140 6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.708 -2.715 6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.170 -3.884 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.235 -2.531 8.713 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.393 -1.117 8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.289 -2.475 7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.932 -2.853 10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.486 -1.192 10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.022 -1.951 10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.417 -0.417 10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.137 -1.606 9.271 1.00 0.00 H new ATOM 284 N LEU A 20 1.112 -2.824 5.119 1.00 0.00 N ATOM 285 CA LEU A 20 0.549 -2.197 3.930 1.00 0.00 C ATOM 286 C LEU A 20 0.859 -0.713 3.968 1.00 0.00 C ATOM 287 O LEU A 20 0.457 -0.024 4.908 1.00 0.00 O ATOM 288 CB LEU A 20 -0.957 -2.467 3.855 1.00 0.00 C ATOM 289 CG LEU A 20 -1.615 -2.105 2.515 1.00 0.00 C ATOM 290 CD1 LEU A 20 -0.903 -2.759 1.332 1.00 0.00 C ATOM 291 CD2 LEU A 20 -3.077 -2.565 2.510 1.00 0.00 C ATOM 0 H LEU A 20 0.851 -2.360 5.989 1.00 0.00 H new ATOM 0 HA LEU A 20 0.995 -2.620 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.132 -3.524 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.451 -1.907 4.649 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.548 -1.022 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.402 -2.476 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.134 -2.426 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.933 -3.843 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.537 -2.305 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.119 -3.645 2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.616 -2.073 3.319 1.00 0.00 H new ATOM 303 N ILE A 21 1.589 -0.233 2.964 1.00 0.00 N ATOM 304 CA ILE A 21 2.005 1.152 2.839 1.00 0.00 C ATOM 305 C ILE A 21 1.421 1.699 1.544 1.00 0.00 C ATOM 306 O ILE A 21 1.787 1.276 0.445 1.00 0.00 O ATOM 307 CB ILE A 21 3.552 1.221 2.905 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.140 1.161 4.333 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.057 2.525 2.273 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.746 -0.032 5.206 1.00 0.00 C ATOM 0 H ILE A 21 1.914 -0.819 2.195 1.00 0.00 H new ATOM 0 HA ILE A 21 1.635 1.773 3.654 1.00 0.00 H new ATOM 0 HB ILE A 21 3.885 0.336 2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.227 1.174 4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.849 2.072 4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.145 2.558 2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.744 2.569 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.641 3.376 2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.229 0.054 6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.664 -0.045 5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.063 -0.956 4.724 1.00 0.00 H new ATOM 322 N ASP A 22 0.479 2.620 1.668 1.00 0.00 N ATOM 323 CA ASP A 22 -0.194 3.279 0.566 1.00 0.00 C ATOM 324 C ASP A 22 0.751 4.357 0.068 1.00 0.00 C ATOM 325 O ASP A 22 1.000 5.334 0.784 1.00 0.00 O ATOM 326 CB ASP A 22 -1.468 4.007 1.019 1.00 0.00 C ATOM 327 CG ASP A 22 -2.729 3.156 1.092 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.103 2.767 2.223 1.00 0.00 O ATOM 329 OD2 ASP A 22 -3.403 3.002 0.048 1.00 0.00 O ATOM 0 H ASP A 22 0.150 2.941 2.579 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.458 2.530 -0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.286 4.438 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.652 4.837 0.336 1.00 0.00 H new ATOM 334 N ILE A 23 1.291 4.194 -1.140 1.00 0.00 N ATOM 335 CA ILE A 23 2.179 5.199 -1.726 1.00 0.00 C ATOM 336 C ILE A 23 1.331 6.238 -2.486 1.00 0.00 C ATOM 337 O ILE A 23 1.834 6.933 -3.372 1.00 0.00 O ATOM 338 CB ILE A 23 3.353 4.572 -2.513 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.911 3.743 -3.736 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.212 3.728 -1.552 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.086 3.327 -4.627 1.00 0.00 C ATOM 0 H ILE A 23 1.130 3.378 -1.731 1.00 0.00 H new ATOM 0 HA ILE A 23 2.699 5.746 -0.939 1.00 0.00 H new ATOM 0 HB ILE A 23 3.942 5.392 -2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.386 2.851 -3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.202 4.324 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.042 3.283 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.602 4.365 -0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.601 2.938 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.715 2.746 -5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.596 4.217 -4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.784 2.721 -4.049 1.00 0.00 H new ATOM 353 N ARG A 24 0.021 6.291 -2.201 1.00 0.00 N ATOM 354 CA ARG A 24 -0.961 7.208 -2.773 1.00 0.00 C ATOM 355 C ARG A 24 -0.739 8.601 -2.206 1.00 0.00 C ATOM 356 O ARG A 24 0.183 8.829 -1.423 1.00 0.00 O ATOM 357 CB ARG A 24 -2.383 6.753 -2.407 1.00 0.00 C ATOM 358 CG ARG A 24 -2.801 5.531 -3.217 1.00 0.00 C ATOM 359 CD ARG A 24 -4.297 5.271 -3.089 1.00 0.00 C ATOM 360 NE ARG A 24 -4.625 4.830 -1.735 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.834 4.797 -1.180 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.870 5.372 -1.783 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.984 4.159 -0.029 1.00 0.00 N ATOM 0 H ARG A 24 -0.400 5.655 -1.524 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.846 7.216 -3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.430 6.520 -1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.085 7.568 -2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.544 5.681 -4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.247 4.657 -2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.852 6.179 -3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.603 4.512 -3.809 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.847 4.515 -1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.742 5.843 -2.678 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.793 5.342 -1.350 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.183 3.707 0.412 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.901 4.120 0.417 1.00 0.00 H new ATOM 377 N ASP A 25 -1.504 9.569 -2.689 1.00 0.00 N ATOM 378 CA ASP A 25 -1.395 10.942 -2.210 1.00 0.00 C ATOM 379 C ASP A 25 -1.977 10.979 -0.802 1.00 0.00 C ATOM 380 O ASP A 25 -2.956 10.287 -0.517 1.00 0.00 O ATOM 381 CB ASP A 25 -2.133 11.921 -3.138 1.00 0.00 C ATOM 382 CG ASP A 25 -1.247 12.370 -4.299 1.00 0.00 C ATOM 383 OD1 ASP A 25 -0.710 13.502 -4.245 1.00 0.00 O ATOM 384 OD2 ASP A 25 -1.064 11.578 -5.258 1.00 0.00 O ATOM 0 H ASP A 25 -2.208 9.430 -3.413 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.351 11.255 -2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.033 11.445 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.455 12.792 -2.567 1.00 0.00 H new ATOM 389 N ALA A 26 -1.399 11.804 0.074 1.00 0.00 N ATOM 390 CA ALA A 26 -1.858 11.925 1.457 1.00 0.00 C ATOM 391 C ALA A 26 -3.321 12.353 1.540 1.00 0.00 C ATOM 392 O ALA A 26 -4.033 11.942 2.450 1.00 0.00 O ATOM 393 CB ALA A 26 -0.998 12.944 2.201 1.00 0.00 C ATOM 0 H ALA A 26 -0.605 12.403 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.766 10.941 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.345 13.030 3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.042 12.617 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.076 13.914 1.710 1.00 0.00 H new ATOM 399 N ASP A 27 -3.770 13.161 0.579 1.00 0.00 N ATOM 400 CA ASP A 27 -5.135 13.667 0.512 1.00 0.00 C ATOM 401 C ASP A 27 -6.159 12.536 0.390 1.00 0.00 C ATOM 402 O ASP A 27 -7.319 12.743 0.731 1.00 0.00 O ATOM 403 CB ASP A 27 -5.270 14.641 -0.661 1.00 0.00 C ATOM 404 CG ASP A 27 -4.449 15.911 -0.448 1.00 0.00 C ATOM 405 OD1 ASP A 27 -4.932 16.822 0.261 1.00 0.00 O ATOM 406 OD2 ASP A 27 -3.337 16.015 -1.023 1.00 0.00 O ATOM 0 H ASP A 27 -3.181 13.486 -0.188 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.344 14.191 1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.947 14.150 -1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.319 14.906 -0.794 1.00 0.00 H new ATOM 411 N GLU A 28 -5.756 11.353 -0.085 1.00 0.00 N ATOM 412 CA GLU A 28 -6.651 10.210 -0.219 1.00 0.00 C ATOM 413 C GLU A 28 -6.915 9.643 1.181 1.00 0.00 C ATOM 414 O GLU A 28 -8.048 9.292 1.499 1.00 0.00 O ATOM 415 CB GLU A 28 -6.040 9.147 -1.149 1.00 0.00 C ATOM 416 CG GLU A 28 -5.705 9.660 -2.563 1.00 0.00 C ATOM 417 CD GLU A 28 -6.928 9.793 -3.481 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.956 10.412 -3.118 1.00 0.00 O ATOM 419 OE2 GLU A 28 -6.878 9.249 -4.608 1.00 0.00 O ATOM 0 H GLU A 28 -4.800 11.166 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.594 10.521 -0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.130 8.760 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.735 8.312 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.217 10.631 -2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.988 8.981 -3.025 1.00 0.00 H new ATOM 426 N TYR A 29 -5.883 9.570 2.035 1.00 0.00 N ATOM 427 CA TYR A 29 -6.004 9.071 3.406 1.00 0.00 C ATOM 428 C TYR A 29 -6.961 9.969 4.209 1.00 0.00 C ATOM 429 O TYR A 29 -7.599 9.515 5.158 1.00 0.00 O ATOM 430 CB TYR A 29 -4.607 8.950 4.047 1.00 0.00 C ATOM 431 CG TYR A 29 -4.597 8.632 5.533 1.00 0.00 C ATOM 432 CD1 TYR A 29 -4.796 9.650 6.486 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.352 7.319 5.971 1.00 0.00 C ATOM 434 CE1 TYR A 29 -4.760 9.353 7.859 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.258 7.022 7.338 1.00 0.00 C ATOM 436 CZ TYR A 29 -4.466 8.041 8.289 1.00 0.00 C ATOM 437 OH TYR A 29 -4.341 7.779 9.617 1.00 0.00 O ATOM 0 H TYR A 29 -4.936 9.858 1.788 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.437 8.071 3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.051 8.173 3.523 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.071 9.886 3.889 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.977 10.664 6.160 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.235 6.528 5.245 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.957 10.128 8.585 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.027 6.017 7.661 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.139 6.829 9.745 1.00 0.00 H new ATOM 447 N LEU A 30 -7.074 11.248 3.837 1.00 0.00 N ATOM 448 CA LEU A 30 -7.965 12.192 4.503 1.00 0.00 C ATOM 449 C LEU A 30 -9.436 11.898 4.173 1.00 0.00 C ATOM 450 O LEU A 30 -10.328 12.323 4.911 1.00 0.00 O ATOM 451 CB LEU A 30 -7.610 13.630 4.092 1.00 0.00 C ATOM 452 CG LEU A 30 -6.614 14.303 5.054 1.00 0.00 C ATOM 453 CD1 LEU A 30 -5.189 13.757 4.930 1.00 0.00 C ATOM 454 CD2 LEU A 30 -6.565 15.807 4.785 1.00 0.00 C ATOM 0 H LEU A 30 -6.548 11.655 3.064 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.832 12.081 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.187 13.621 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.522 14.225 4.048 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.974 14.086 6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.539 14.274 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.188 12.690 5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.825 13.918 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.858 16.276 5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.246 15.983 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.556 16.236 4.936 1.00 0.00 H new ATOM 466 N ARG A 31 -9.701 11.228 3.050 1.00 0.00 N ATOM 467 CA ARG A 31 -11.022 10.855 2.555 1.00 0.00 C ATOM 468 C ARG A 31 -11.448 9.473 3.036 1.00 0.00 C ATOM 469 O ARG A 31 -12.410 9.346 3.794 1.00 0.00 O ATOM 470 CB ARG A 31 -11.026 10.899 1.022 1.00 0.00 C ATOM 471 CG ARG A 31 -10.855 12.337 0.539 1.00 0.00 C ATOM 472 CD ARG A 31 -11.214 12.435 -0.940 1.00 0.00 C ATOM 473 NE ARG A 31 -11.767 13.755 -1.245 1.00 0.00 N ATOM 474 CZ ARG A 31 -11.104 14.911 -1.301 1.00 0.00 C ATOM 475 NH1 ARG A 31 -9.780 14.953 -1.441 1.00 0.00 N ATOM 476 NH2 ARG A 31 -11.801 16.032 -1.196 1.00 0.00 N ATOM 0 H ARG A 31 -8.955 10.915 2.428 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.740 11.572 2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.221 10.277 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.961 10.488 0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.491 13.003 1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.826 12.662 0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.328 12.256 -1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.938 11.662 -1.197 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.768 13.795 -1.435 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.247 14.086 -1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.300 15.852 -1.481 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.813 15.994 -1.076 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.326 16.934 -1.235 1.00 0.00 H new ATOM 490 N GLU A 32 -10.798 8.433 2.527 1.00 0.00 N ATOM 491 CA GLU A 32 -11.060 7.037 2.835 1.00 0.00 C ATOM 492 C GLU A 32 -9.827 6.252 2.410 1.00 0.00 C ATOM 493 O GLU A 32 -9.261 6.522 1.349 1.00 0.00 O ATOM 494 CB GLU A 32 -12.331 6.531 2.115 1.00 0.00 C ATOM 495 CG GLU A 32 -12.542 6.912 0.633 1.00 0.00 C ATOM 496 CD GLU A 32 -14.021 6.819 0.211 1.00 0.00 C ATOM 497 OE1 GLU A 32 -14.672 7.866 -0.037 1.00 0.00 O ATOM 498 OE2 GLU A 32 -14.566 5.698 0.097 1.00 0.00 O ATOM 0 H GLU A 32 -10.038 8.549 1.857 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.247 6.906 3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.338 5.443 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.194 6.890 2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.182 7.927 0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.944 6.254 0.002 1.00 0.00 H new ATOM 505 N HIS A 33 -9.408 5.275 3.214 1.00 0.00 N ATOM 506 CA HIS A 33 -8.235 4.456 2.928 1.00 0.00 C ATOM 507 C HIS A 33 -8.510 3.003 3.309 1.00 0.00 C ATOM 508 O HIS A 33 -9.659 2.560 3.230 1.00 0.00 O ATOM 509 CB HIS A 33 -6.985 5.060 3.592 1.00 0.00 C ATOM 510 CG HIS A 33 -7.065 5.184 5.094 1.00 0.00 C ATOM 511 ND1 HIS A 33 -6.564 4.291 6.020 1.00 0.00 N ATOM 512 CD2 HIS A 33 -7.669 6.205 5.783 1.00 0.00 C ATOM 513 CE1 HIS A 33 -6.864 4.771 7.235 1.00 0.00 C ATOM 514 NE2 HIS A 33 -7.550 5.920 7.145 1.00 0.00 N ATOM 0 H HIS A 33 -9.877 5.030 4.086 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.025 4.453 1.858 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.122 4.445 3.338 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.807 6.049 3.169 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -6.060 3.428 5.818 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.149 7.071 5.351 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.589 4.295 8.165 1.00 0.00 H new ATOM 522 N ILE A 34 -7.473 2.234 3.642 1.00 0.00 N ATOM 523 CA ILE A 34 -7.566 0.833 4.032 1.00 0.00 C ATOM 524 C ILE A 34 -7.172 0.768 5.516 1.00 0.00 C ATOM 525 O ILE A 34 -6.192 1.414 5.897 1.00 0.00 O ATOM 526 CB ILE A 34 -6.670 -0.029 3.118 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.172 0.081 1.657 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.666 -1.504 3.571 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.180 -0.474 0.640 1.00 0.00 C ATOM 0 H ILE A 34 -6.515 2.584 3.647 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.572 0.430 3.914 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.647 0.341 3.183 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.117 -0.454 1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.373 1.127 1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.026 -2.086 2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.288 -1.570 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.681 -1.899 3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.590 -0.368 -0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.242 0.077 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.998 -1.528 0.848 1.00 0.00 H new ATOM 541 N PRO A 35 -7.895 -0.006 6.344 1.00 0.00 N ATOM 542 CA PRO A 35 -7.633 -0.141 7.778 1.00 0.00 C ATOM 543 C PRO A 35 -6.372 -0.950 8.093 1.00 0.00 C ATOM 544 O PRO A 35 -5.666 -0.680 9.060 1.00 0.00 O ATOM 545 CB PRO A 35 -8.866 -0.855 8.337 1.00 0.00 C ATOM 546 CG PRO A 35 -9.386 -1.667 7.149 1.00 0.00 C ATOM 547 CD PRO A 35 -9.060 -0.786 5.960 1.00 0.00 C ATOM 0 HA PRO A 35 -7.458 0.839 8.222 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.609 -1.498 9.179 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.612 -0.145 8.694 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.895 -2.637 7.078 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.456 -1.857 7.228 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.852 -1.387 5.075 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.900 -0.137 5.714 1.00 0.00 H new ATOM 555 N GLU A 36 -6.064 -1.939 7.257 1.00 0.00 N ATOM 556 CA GLU A 36 -4.910 -2.825 7.387 1.00 0.00 C ATOM 557 C GLU A 36 -3.604 -2.159 6.934 1.00 0.00 C ATOM 558 O GLU A 36 -2.575 -2.831 6.822 1.00 0.00 O ATOM 559 CB GLU A 36 -5.192 -4.140 6.645 1.00 0.00 C ATOM 560 CG GLU A 36 -6.420 -4.862 7.218 1.00 0.00 C ATOM 561 CD GLU A 36 -6.241 -5.359 8.656 1.00 0.00 C ATOM 562 OE1 GLU A 36 -6.214 -6.591 8.868 1.00 0.00 O ATOM 563 OE2 GLU A 36 -6.184 -4.530 9.594 1.00 0.00 O ATOM 0 H GLU A 36 -6.634 -2.153 6.439 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.761 -3.050 8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.352 -3.934 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.321 -4.792 6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.274 -4.186 7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.659 -5.712 6.579 1.00 0.00 H new ATOM 570 N ALA A 37 -3.648 -0.853 6.662 1.00 0.00 N ATOM 571 CA ALA A 37 -2.548 -0.034 6.200 1.00 0.00 C ATOM 572 C ALA A 37 -2.284 1.153 7.112 1.00 0.00 C ATOM 573 O ALA A 37 -2.943 1.350 8.138 1.00 0.00 O ATOM 574 CB ALA A 37 -2.901 0.438 4.780 1.00 0.00 C ATOM 0 H ALA A 37 -4.509 -0.316 6.768 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.630 -0.621 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.095 1.061 4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.034 -0.428 4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.825 1.016 4.808 1.00 0.00 H new ATOM 580 N ASP A 38 -1.283 1.943 6.738 1.00 0.00 N ATOM 581 CA ASP A 38 -0.900 3.139 7.453 1.00 0.00 C ATOM 582 C ASP A 38 -1.066 4.240 6.413 1.00 0.00 C ATOM 583 O ASP A 38 -2.186 4.503 5.968 1.00 0.00 O ATOM 584 CB ASP A 38 0.498 2.933 8.058 1.00 0.00 C ATOM 585 CG ASP A 38 0.383 2.457 9.504 1.00 0.00 C ATOM 586 OD1 ASP A 38 0.605 1.254 9.769 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.090 3.292 10.390 1.00 0.00 O ATOM 0 H ASP A 38 -0.710 1.760 5.914 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.496 3.405 8.326 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.052 2.202 7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.060 3.866 8.018 1.00 0.00 H new ATOM 592 N LEU A 39 0.030 4.822 5.947 1.00 0.00 N ATOM 593 CA LEU A 39 0.117 5.886 4.946 1.00 0.00 C ATOM 594 C LEU A 39 1.587 6.242 4.805 1.00 0.00 C ATOM 595 O LEU A 39 2.284 6.323 5.821 1.00 0.00 O ATOM 596 CB LEU A 39 -0.643 7.154 5.401 1.00 0.00 C ATOM 597 CG LEU A 39 -0.366 8.407 4.542 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.827 8.227 3.090 1.00 0.00 C ATOM 599 CD2 LEU A 39 -1.034 9.633 5.163 1.00 0.00 C ATOM 0 H LEU A 39 0.953 4.545 6.281 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.323 5.540 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.713 6.947 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.376 7.371 6.435 1.00 0.00 H new ATOM 0 HG LEU A 39 0.714 8.556 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.611 9.134 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.298 7.386 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.899 8.033 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.831 10.509 4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.110 9.471 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.638 9.794 6.166 1.00 0.00 H new ATOM 611 N ALA A 40 2.062 6.438 3.575 1.00 0.00 N ATOM 612 CA ALA A 40 3.449 6.821 3.299 1.00 0.00 C ATOM 613 C ALA A 40 3.572 7.268 1.830 1.00 0.00 C ATOM 614 O ALA A 40 3.995 6.480 0.982 1.00 0.00 O ATOM 615 CB ALA A 40 4.458 5.720 3.681 1.00 0.00 C ATOM 0 H ALA A 40 1.492 6.335 2.735 1.00 0.00 H new ATOM 0 HA ALA A 40 3.711 7.666 3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.469 6.059 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.377 5.506 4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.242 4.816 3.112 1.00 0.00 H new ATOM 621 N PRO A 41 3.198 8.516 1.496 1.00 0.00 N ATOM 622 CA PRO A 41 3.276 9.005 0.129 1.00 0.00 C ATOM 623 C PRO A 41 4.728 9.052 -0.342 1.00 0.00 C ATOM 624 O PRO A 41 5.647 9.284 0.453 1.00 0.00 O ATOM 625 CB PRO A 41 2.638 10.400 0.133 1.00 0.00 C ATOM 626 CG PRO A 41 2.705 10.839 1.584 1.00 0.00 C ATOM 627 CD PRO A 41 2.690 9.542 2.386 1.00 0.00 C ATOM 0 HA PRO A 41 2.751 8.346 -0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.181 11.087 -0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.609 10.368 -0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.609 11.415 1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.859 11.475 1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.311 9.627 3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.681 9.303 2.722 1.00 0.00 H new ATOM 635 N LEU A 42 4.947 8.892 -1.652 1.00 0.00 N ATOM 636 CA LEU A 42 6.297 8.928 -2.214 1.00 0.00 C ATOM 637 C LEU A 42 6.933 10.284 -1.891 1.00 0.00 C ATOM 638 O LEU A 42 8.128 10.365 -1.606 1.00 0.00 O ATOM 639 CB LEU A 42 6.295 8.693 -3.733 1.00 0.00 C ATOM 640 CG LEU A 42 7.411 7.800 -4.323 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.626 7.523 -3.434 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.795 6.462 -4.719 1.00 0.00 C ATOM 0 H LEU A 42 4.209 8.737 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 42 6.877 8.122 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.335 8.253 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.349 9.665 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 42 7.807 8.373 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.330 6.886 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.111 8.465 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.303 7.021 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.566 5.816 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.362 5.986 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.016 6.626 -5.463 1.00 0.00 H new ATOM 654 N SER A 43 6.113 11.339 -1.845 1.00 0.00 N ATOM 655 CA SER A 43 6.516 12.705 -1.545 1.00 0.00 C ATOM 656 C SER A 43 7.107 12.853 -0.132 1.00 0.00 C ATOM 657 O SER A 43 7.756 13.861 0.143 1.00 0.00 O ATOM 658 CB SER A 43 5.361 13.662 -1.843 1.00 0.00 C ATOM 659 OG SER A 43 4.887 13.365 -3.145 1.00 0.00 O ATOM 0 H SER A 43 5.112 11.255 -2.024 1.00 0.00 H new ATOM 0 HA SER A 43 7.340 12.980 -2.203 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.565 13.542 -1.108 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.696 14.698 -1.784 1.00 0.00 H new ATOM 0 HG SER A 43 4.142 13.962 -3.366 1.00 0.00 H new ATOM 665 N VAL A 44 7.021 11.839 0.733 1.00 0.00 N ATOM 666 CA VAL A 44 7.586 11.840 2.086 1.00 0.00 C ATOM 667 C VAL A 44 8.746 10.826 2.114 1.00 0.00 C ATOM 668 O VAL A 44 9.761 11.045 2.781 1.00 0.00 O ATOM 669 CB VAL A 44 6.456 11.562 3.097 1.00 0.00 C ATOM 670 CG1 VAL A 44 6.958 11.362 4.529 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.490 12.756 3.112 1.00 0.00 C ATOM 0 H VAL A 44 6.542 10.968 0.505 1.00 0.00 H new ATOM 0 HA VAL A 44 8.006 12.804 2.372 1.00 0.00 H new ATOM 0 HB VAL A 44 5.974 10.639 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.111 11.171 5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.641 10.513 4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.480 12.260 4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.688 12.566 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.030 13.657 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.066 12.894 2.117 1.00 0.00 H new ATOM 681 N LEU A 45 8.632 9.743 1.338 1.00 0.00 N ATOM 682 CA LEU A 45 9.623 8.688 1.219 1.00 0.00 C ATOM 683 C LEU A 45 10.886 9.177 0.518 1.00 0.00 C ATOM 684 O LEU A 45 11.946 9.140 1.127 1.00 0.00 O ATOM 685 CB LEU A 45 9.018 7.514 0.451 1.00 0.00 C ATOM 686 CG LEU A 45 7.929 6.744 1.217 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.466 5.586 0.339 1.00 0.00 C ATOM 688 CD2 LEU A 45 8.422 6.216 2.566 1.00 0.00 C ATOM 0 H LEU A 45 7.811 9.578 0.756 1.00 0.00 H new ATOM 0 HA LEU A 45 9.908 8.371 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.594 7.886 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.816 6.821 0.184 1.00 0.00 H new ATOM 0 HG LEU A 45 7.107 7.427 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.692 5.022 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.064 5.976 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.311 4.931 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.614 5.681 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.262 5.539 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.742 7.051 3.189 1.00 0.00 H new ATOM 700 N GLU A 46 10.803 9.658 -0.724 1.00 0.00 N ATOM 701 CA GLU A 46 11.970 10.156 -1.467 1.00 0.00 C ATOM 702 C GLU A 46 12.755 11.237 -0.693 1.00 0.00 C ATOM 703 O GLU A 46 13.963 11.391 -0.881 1.00 0.00 O ATOM 704 CB GLU A 46 11.529 10.609 -2.864 1.00 0.00 C ATOM 705 CG GLU A 46 11.508 9.434 -3.842 1.00 0.00 C ATOM 706 CD GLU A 46 12.825 9.294 -4.594 1.00 0.00 C ATOM 707 OE1 GLU A 46 13.756 8.715 -3.996 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.906 9.764 -5.757 1.00 0.00 O ATOM 0 H GLU A 46 9.928 9.715 -1.245 1.00 0.00 H new ATOM 0 HA GLU A 46 12.682 9.339 -1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.537 11.058 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.207 11.380 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.302 8.513 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.696 9.571 -4.556 1.00 0.00 H new ATOM 715 N GLN A 47 12.086 11.951 0.216 1.00 0.00 N ATOM 716 CA GLN A 47 12.661 12.977 1.064 1.00 0.00 C ATOM 717 C GLN A 47 13.449 12.372 2.230 1.00 0.00 C ATOM 718 O GLN A 47 14.621 12.720 2.382 1.00 0.00 O ATOM 719 CB GLN A 47 11.572 13.898 1.642 1.00 0.00 C ATOM 720 CG GLN A 47 11.157 14.991 0.656 1.00 0.00 C ATOM 721 CD GLN A 47 10.413 16.108 1.370 1.00 0.00 C ATOM 722 OE1 GLN A 47 11.045 17.012 1.912 1.00 0.00 O ATOM 723 NE2 GLN A 47 9.092 16.071 1.411 1.00 0.00 N ATOM 0 H GLN A 47 11.088 11.818 0.381 1.00 0.00 H new ATOM 0 HA GLN A 47 13.336 13.554 0.432 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.699 13.302 1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.938 14.359 2.560 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.040 15.395 0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.523 14.564 -0.121 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.589 15.311 0.954 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.576 16.803 1.900 1.00 0.00 H new ATOM 732 N SER A 48 12.843 11.482 3.027 1.00 0.00 N ATOM 733 CA SER A 48 13.504 10.895 4.196 1.00 0.00 C ATOM 734 C SER A 48 13.628 9.369 4.207 1.00 0.00 C ATOM 735 O SER A 48 14.643 8.862 4.678 1.00 0.00 O ATOM 736 CB SER A 48 12.747 11.388 5.434 1.00 0.00 C ATOM 737 OG SER A 48 13.628 11.793 6.455 1.00 0.00 O ATOM 0 H SER A 48 11.889 11.152 2.880 1.00 0.00 H new ATOM 0 HA SER A 48 14.543 11.225 4.175 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.102 12.222 5.158 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.100 10.593 5.805 1.00 0.00 H new ATOM 0 HG SER A 48 13.112 12.103 7.228 1.00 0.00 H new ATOM 743 N GLY A 49 12.628 8.628 3.736 1.00 0.00 N ATOM 744 CA GLY A 49 12.643 7.169 3.702 1.00 0.00 C ATOM 745 C GLY A 49 11.541 6.591 4.580 1.00 0.00 C ATOM 746 O GLY A 49 10.805 7.324 5.246 1.00 0.00 O ATOM 0 H GLY A 49 11.770 9.032 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.514 6.824 2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.612 6.804 4.041 1.00 0.00 H new ATOM 750 N LEU A 50 11.394 5.267 4.567 1.00 0.00 N ATOM 751 CA LEU A 50 10.378 4.559 5.339 1.00 0.00 C ATOM 752 C LEU A 50 10.720 4.633 6.837 1.00 0.00 C ATOM 753 O LEU A 50 11.896 4.495 7.176 1.00 0.00 O ATOM 754 CB LEU A 50 10.322 3.107 4.836 1.00 0.00 C ATOM 755 CG LEU A 50 9.067 2.353 5.293 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.798 2.860 4.590 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.220 0.869 4.963 1.00 0.00 C ATOM 0 H LEU A 50 11.986 4.649 4.012 1.00 0.00 H new ATOM 0 HA LEU A 50 9.397 5.016 5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.361 3.106 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.205 2.574 5.187 1.00 0.00 H new ATOM 0 HG LEU A 50 8.965 2.518 6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.935 2.297 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.657 3.918 4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.900 2.726 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.329 0.331 5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.347 0.747 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.093 0.470 5.479 1.00 0.00 H new ATOM 769 N PRO A 51 9.758 4.865 7.748 1.00 0.00 N ATOM 770 CA PRO A 51 10.033 4.953 9.178 1.00 0.00 C ATOM 771 C PRO A 51 10.299 3.581 9.807 1.00 0.00 C ATOM 772 O PRO A 51 9.875 2.539 9.300 1.00 0.00 O ATOM 773 CB PRO A 51 8.783 5.591 9.790 1.00 0.00 C ATOM 774 CG PRO A 51 7.674 5.113 8.868 1.00 0.00 C ATOM 775 CD PRO A 51 8.340 5.059 7.497 1.00 0.00 C ATOM 0 HA PRO A 51 10.934 5.537 9.362 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.624 5.264 10.817 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.852 6.679 9.809 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.297 4.135 9.169 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.826 5.797 8.874 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.935 4.243 6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.165 5.980 6.941 1.00 0.00 H new ATOM 783 N ALA A 52 10.896 3.595 11.001 1.00 0.00 N ATOM 784 CA ALA A 52 11.251 2.414 11.781 1.00 0.00 C ATOM 785 C ALA A 52 10.044 1.547 12.173 1.00 0.00 C ATOM 786 O ALA A 52 10.231 0.402 12.589 1.00 0.00 O ATOM 787 CB ALA A 52 12.021 2.842 13.031 1.00 0.00 C ATOM 0 H ALA A 52 11.154 4.465 11.467 1.00 0.00 H new ATOM 0 HA ALA A 52 11.875 1.790 11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.287 1.960 13.614 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.928 3.369 12.737 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.398 3.502 13.634 1.00 0.00 H new ATOM 793 N LYS A 53 8.815 2.063 12.075 1.00 0.00 N ATOM 794 CA LYS A 53 7.599 1.317 12.392 1.00 0.00 C ATOM 795 C LYS A 53 7.154 0.531 11.162 1.00 0.00 C ATOM 796 O LYS A 53 7.050 -0.690 11.188 1.00 0.00 O ATOM 797 CB LYS A 53 6.462 2.254 12.849 1.00 0.00 C ATOM 798 CG LYS A 53 6.807 3.206 14.001 1.00 0.00 C ATOM 799 CD LYS A 53 7.338 2.479 15.239 1.00 0.00 C ATOM 800 CE LYS A 53 7.590 3.515 16.334 1.00 0.00 C ATOM 801 NZ LYS A 53 8.237 2.931 17.526 1.00 0.00 N ATOM 0 H LYS A 53 8.637 3.020 11.770 1.00 0.00 H new ATOM 0 HA LYS A 53 7.821 0.636 13.213 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.141 2.849 11.994 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.611 1.643 13.150 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.553 3.924 13.660 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.918 3.775 14.274 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.619 1.734 15.579 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.259 1.947 15.001 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.218 4.313 15.938 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.643 3.970 16.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.386 3.673 18.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.627 2.188 17.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.154 2.520 17.257 1.00 0.00 H new ATOM 815 N LEU A 54 6.941 1.244 10.055 1.00 0.00 N ATOM 816 CA LEU A 54 6.474 0.675 8.795 1.00 0.00 C ATOM 817 C LEU A 54 7.450 -0.279 8.111 1.00 0.00 C ATOM 818 O LEU A 54 7.019 -1.020 7.238 1.00 0.00 O ATOM 819 CB LEU A 54 6.056 1.803 7.835 1.00 0.00 C ATOM 820 CG LEU A 54 4.975 2.738 8.411 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.608 3.851 7.422 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.706 2.001 8.832 1.00 0.00 C ATOM 0 H LEU A 54 7.092 2.252 10.011 1.00 0.00 H new ATOM 0 HA LEU A 54 5.617 0.054 9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.935 2.394 7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.687 1.362 6.909 1.00 0.00 H new ATOM 0 HG LEU A 54 5.419 3.176 9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.843 4.491 7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.494 4.446 7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.226 3.409 6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.985 2.716 9.229 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.276 1.494 7.968 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.949 1.267 9.600 1.00 0.00 H new ATOM 834 N ARG A 55 8.732 -0.303 8.483 1.00 0.00 N ATOM 835 CA ARG A 55 9.780 -1.163 7.906 1.00 0.00 C ATOM 836 C ARG A 55 9.701 -2.632 8.344 1.00 0.00 C ATOM 837 O ARG A 55 10.730 -3.298 8.465 1.00 0.00 O ATOM 838 CB ARG A 55 11.158 -0.571 8.240 1.00 0.00 C ATOM 839 CG ARG A 55 11.508 -0.694 9.733 1.00 0.00 C ATOM 840 CD ARG A 55 13.018 -0.647 9.912 1.00 0.00 C ATOM 841 NE ARG A 55 13.462 -1.153 11.225 1.00 0.00 N ATOM 842 CZ ARG A 55 14.636 -1.762 11.437 1.00 0.00 C ATOM 843 NH1 ARG A 55 15.602 -1.715 10.520 1.00 0.00 N ATOM 844 NH2 ARG A 55 14.835 -2.421 12.577 1.00 0.00 N ATOM 0 H ARG A 55 9.088 0.300 9.225 1.00 0.00 H new ATOM 0 HA ARG A 55 9.618 -1.177 6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.920 -1.078 7.649 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.178 0.480 7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.040 0.115 10.294 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.114 -1.628 10.133 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.490 -1.235 9.125 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.360 0.381 9.791 1.00 0.00 H new ATOM 0 HE ARG A 55 12.836 -1.031 12.021 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.451 -1.211 9.646 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.492 -2.183 10.692 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.097 -2.459 13.280 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.726 -2.888 12.747 1.00 0.00 H new ATOM 858 N HIS A 56 8.507 -3.098 8.687 1.00 0.00 N ATOM 859 CA HIS A 56 8.280 -4.462 9.139 1.00 0.00 C ATOM 860 C HIS A 56 8.860 -5.497 8.166 1.00 0.00 C ATOM 861 O HIS A 56 9.103 -5.187 7.002 1.00 0.00 O ATOM 862 CB HIS A 56 6.788 -4.699 9.423 1.00 0.00 C ATOM 863 CG HIS A 56 6.563 -5.716 10.517 1.00 0.00 C ATOM 864 ND1 HIS A 56 5.697 -6.784 10.476 1.00 0.00 N ATOM 865 CD2 HIS A 56 7.228 -5.777 11.715 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.869 -7.496 11.597 1.00 0.00 C ATOM 867 NE2 HIS A 56 6.806 -6.931 12.381 1.00 0.00 N ATOM 0 H HIS A 56 7.659 -2.531 8.658 1.00 0.00 H new ATOM 0 HA HIS A 56 8.819 -4.596 10.077 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.321 -3.756 9.706 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.297 -5.037 8.510 1.00 0.00 H new ATOM 0 HD1 HIS A 56 5.040 -6.996 9.725 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.950 -5.061 12.079 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.330 -8.400 11.839 1.00 0.00 H new ATOM 875 N GLU A 57 9.005 -6.736 8.652 1.00 0.00 N ATOM 876 CA GLU A 57 9.551 -7.920 7.979 1.00 0.00 C ATOM 877 C GLU A 57 9.250 -8.021 6.479 1.00 0.00 C ATOM 878 O GLU A 57 10.094 -8.468 5.699 1.00 0.00 O ATOM 879 CB GLU A 57 9.088 -9.189 8.735 1.00 0.00 C ATOM 880 CG GLU A 57 7.566 -9.425 8.693 1.00 0.00 C ATOM 881 CD GLU A 57 7.108 -10.661 9.472 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.811 -11.684 8.812 1.00 0.00 O ATOM 883 OE2 GLU A 57 6.962 -10.586 10.716 1.00 0.00 O ATOM 0 H GLU A 57 8.719 -6.954 9.607 1.00 0.00 H new ATOM 0 HA GLU A 57 10.636 -7.822 8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.591 -10.057 8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.405 -9.115 9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.061 -8.547 9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.252 -9.526 7.654 1.00 0.00 H new ATOM 890 N GLN A 58 8.048 -7.623 6.072 1.00 0.00 N ATOM 891 CA GLN A 58 7.579 -7.653 4.707 1.00 0.00 C ATOM 892 C GLN A 58 6.437 -6.656 4.611 1.00 0.00 C ATOM 893 O GLN A 58 5.636 -6.537 5.540 1.00 0.00 O ATOM 894 CB GLN A 58 7.175 -9.104 4.415 1.00 0.00 C ATOM 895 CG GLN A 58 6.443 -9.281 3.098 1.00 0.00 C ATOM 896 CD GLN A 58 6.442 -10.756 2.696 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.492 -11.309 2.380 1.00 0.00 O ATOM 898 NE2 GLN A 58 5.291 -11.401 2.666 1.00 0.00 N ATOM 0 H GLN A 58 7.351 -7.256 6.720 1.00 0.00 H new ATOM 0 HA GLN A 58 8.321 -7.364 3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.070 -9.727 4.410 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.540 -9.465 5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.419 -8.920 3.190 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.923 -8.684 2.322 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.431 -10.922 2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.262 -12.379 2.376 1.00 0.00 H new ATOM 907 N ILE A 59 6.361 -5.921 3.502 1.00 0.00 N ATOM 908 CA ILE A 59 5.336 -4.918 3.273 1.00 0.00 C ATOM 909 C ILE A 59 4.842 -5.005 1.826 1.00 0.00 C ATOM 910 O ILE A 59 5.441 -5.684 0.989 1.00 0.00 O ATOM 911 CB ILE A 59 5.847 -3.503 3.667 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.558 -2.767 2.506 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.726 -3.506 4.937 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.101 -1.382 2.870 1.00 0.00 C ATOM 0 H ILE A 59 7.022 -6.011 2.730 1.00 0.00 H new ATOM 0 HA ILE A 59 4.478 -5.114 3.916 1.00 0.00 H new ATOM 0 HB ILE A 59 4.944 -2.940 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.383 -3.385 2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.859 -2.663 1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.050 -2.489 5.158 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.150 -3.894 5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.599 -4.138 4.774 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.583 -0.939 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.280 -0.743 3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.828 -1.477 3.677 1.00 0.00 H new ATOM 926 N ILE A 60 3.758 -4.303 1.504 1.00 0.00 N ATOM 927 CA ILE A 60 3.161 -4.254 0.175 1.00 0.00 C ATOM 928 C ILE A 60 2.877 -2.775 -0.121 1.00 0.00 C ATOM 929 O ILE A 60 2.603 -1.991 0.797 1.00 0.00 O ATOM 930 CB ILE A 60 1.896 -5.147 0.119 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.132 -6.609 0.570 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.299 -5.202 -1.296 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.096 -7.067 1.589 1.00 0.00 C ATOM 0 H ILE A 60 3.255 -3.734 2.185 1.00 0.00 H new ATOM 0 HA ILE A 60 3.826 -4.651 -0.592 1.00 0.00 H new ATOM 0 HB ILE A 60 1.211 -4.670 0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.100 -7.266 -0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.129 -6.699 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.414 -5.838 -1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.022 -4.197 -1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.037 -5.610 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.300 -8.098 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.145 -6.427 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.101 -7.003 1.150 1.00 0.00 H new ATOM 945 N PHE A 61 2.951 -2.396 -1.397 1.00 0.00 N ATOM 946 CA PHE A 61 2.717 -1.056 -1.907 1.00 0.00 C ATOM 947 C PHE A 61 1.508 -1.095 -2.845 1.00 0.00 C ATOM 948 O PHE A 61 1.355 -2.041 -3.621 1.00 0.00 O ATOM 949 CB PHE A 61 3.960 -0.572 -2.681 1.00 0.00 C ATOM 950 CG PHE A 61 5.215 -0.248 -1.877 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.126 0.427 -0.644 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.490 -0.553 -2.400 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.288 0.823 0.038 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.654 -0.158 -1.710 1.00 0.00 C ATOM 955 CZ PHE A 61 7.551 0.546 -0.502 1.00 0.00 C ATOM 0 H PHE A 61 3.189 -3.055 -2.138 1.00 0.00 H new ATOM 0 HA PHE A 61 2.525 -0.371 -1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.219 -1.338 -3.412 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.680 0.321 -3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.156 0.642 -0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.574 -1.091 -3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.208 1.343 0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.627 -0.398 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.443 0.874 0.011 1.00 0.00 H new ATOM 965 N HIS A 62 0.656 -0.072 -2.795 1.00 0.00 N ATOM 966 CA HIS A 62 -0.545 0.107 -3.612 1.00 0.00 C ATOM 967 C HIS A 62 -0.607 1.590 -3.979 1.00 0.00 C ATOM 968 O HIS A 62 -0.042 2.432 -3.269 1.00 0.00 O ATOM 969 CB HIS A 62 -1.841 -0.233 -2.841 1.00 0.00 C ATOM 970 CG HIS A 62 -2.057 -1.646 -2.378 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.180 -2.695 -2.504 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.122 -2.081 -1.631 1.00 0.00 C ATOM 973 CE1 HIS A 62 -1.703 -3.727 -1.829 1.00 0.00 C ATOM 974 NE2 HIS A 62 -2.900 -3.418 -1.321 1.00 0.00 N ATOM 0 H HIS A 62 0.793 0.701 -2.144 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.483 -0.556 -4.475 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.882 0.412 -1.963 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.684 0.039 -3.476 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.297 -2.689 -3.015 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.978 -1.492 -1.337 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.220 -4.685 -1.710 1.00 0.00 H new ATOM 982 N CYS A 63 -1.255 1.932 -5.095 1.00 0.00 N ATOM 983 CA CYS A 63 -1.415 3.310 -5.533 1.00 0.00 C ATOM 984 C CYS A 63 -2.846 3.544 -6.042 1.00 0.00 C ATOM 985 O CYS A 63 -3.728 2.727 -5.785 1.00 0.00 O ATOM 986 CB CYS A 63 -0.270 3.766 -6.440 1.00 0.00 C ATOM 987 SG CYS A 63 -0.293 2.994 -8.065 1.00 0.00 S ATOM 0 H CYS A 63 -1.685 1.251 -5.721 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.316 3.987 -4.685 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.320 4.848 -6.560 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.680 3.543 -5.954 1.00 0.00 H new ATOM 0 HG CYS A 63 -1.303 2.179 -8.144 1.00 0.00 H new ATOM 993 N GLN A 64 -3.090 4.679 -6.699 1.00 0.00 N ATOM 994 CA GLN A 64 -4.398 5.054 -7.224 1.00 0.00 C ATOM 995 C GLN A 64 -4.854 4.120 -8.360 1.00 0.00 C ATOM 996 O GLN A 64 -5.928 3.523 -8.272 1.00 0.00 O ATOM 997 CB GLN A 64 -4.323 6.536 -7.652 1.00 0.00 C ATOM 998 CG GLN A 64 -5.642 7.320 -7.677 1.00 0.00 C ATOM 999 CD GLN A 64 -6.624 6.855 -8.741 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -6.535 7.250 -9.902 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -7.571 6.011 -8.378 1.00 0.00 N ATOM 0 H GLN A 64 -2.368 5.375 -6.883 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.161 4.941 -6.454 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.636 7.049 -6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.884 6.579 -8.649 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.118 7.240 -6.700 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.421 8.375 -7.839 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.629 5.695 -7.410 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.245 5.675 -9.065 1.00 0.00 H new ATOM 1087 N SER A 70 5.643 0.562 -9.982 1.00 0.00 N ATOM 1088 CA SER A 70 6.471 0.204 -11.140 1.00 0.00 C ATOM 1089 C SER A 70 7.189 1.391 -11.819 1.00 0.00 C ATOM 1090 O SER A 70 8.015 1.176 -12.706 1.00 0.00 O ATOM 1091 CB SER A 70 5.662 -0.659 -12.124 1.00 0.00 C ATOM 1092 OG SER A 70 4.796 0.080 -12.964 1.00 0.00 O ATOM 0 HA SER A 70 7.298 -0.393 -10.756 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.354 -1.229 -12.745 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.073 -1.381 -11.558 1.00 0.00 H new ATOM 0 HG SER A 70 4.318 -0.533 -13.561 1.00 0.00 H new ATOM 1098 N ASN A 71 6.938 2.623 -11.359 1.00 0.00 N ATOM 1099 CA ASN A 71 7.490 3.884 -11.863 1.00 0.00 C ATOM 1100 C ASN A 71 8.681 4.376 -11.038 1.00 0.00 C ATOM 1101 O ASN A 71 9.585 5.020 -11.566 1.00 0.00 O ATOM 1102 CB ASN A 71 6.364 4.932 -11.801 1.00 0.00 C ATOM 1103 CG ASN A 71 6.619 6.195 -12.620 1.00 0.00 C ATOM 1104 OD1 ASN A 71 7.662 6.838 -12.561 1.00 0.00 O ATOM 1105 ND2 ASN A 71 5.645 6.633 -13.389 1.00 0.00 N ATOM 0 H ASN A 71 6.303 2.774 -10.575 1.00 0.00 H new ATOM 0 HA ASN A 71 7.853 3.728 -12.879 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.439 4.472 -12.148 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.208 5.216 -10.760 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.765 7.494 -13.923 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.770 6.112 -13.451 1.00 0.00 H new ATOM 1112 N ASN A 72 8.681 4.089 -9.733 1.00 0.00 N ATOM 1113 CA ASN A 72 9.741 4.497 -8.800 1.00 0.00 C ATOM 1114 C ASN A 72 10.287 3.291 -8.036 1.00 0.00 C ATOM 1115 O ASN A 72 10.796 3.422 -6.929 1.00 0.00 O ATOM 1116 CB ASN A 72 9.233 5.639 -7.879 1.00 0.00 C ATOM 1117 CG ASN A 72 9.646 6.996 -8.422 1.00 0.00 C ATOM 1118 OD1 ASN A 72 10.786 7.172 -8.824 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.766 7.984 -8.463 1.00 0.00 N ATOM 0 H ASN A 72 7.934 3.558 -9.286 1.00 0.00 H new ATOM 0 HA ASN A 72 10.585 4.901 -9.359 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.147 5.590 -7.798 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.634 5.507 -6.874 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.039 8.895 -8.831 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.815 7.834 -8.127 1.00 0.00 H new ATOM 1126 N ALA A 73 10.131 2.097 -8.607 1.00 0.00 N ATOM 1127 CA ALA A 73 10.528 0.796 -8.115 1.00 0.00 C ATOM 1128 C ALA A 73 11.969 0.721 -7.627 1.00 0.00 C ATOM 1129 O ALA A 73 12.241 -0.092 -6.749 1.00 0.00 O ATOM 1130 CB ALA A 73 10.299 -0.210 -9.239 1.00 0.00 C ATOM 0 H ALA A 73 9.677 2.019 -9.517 1.00 0.00 H new ATOM 0 HA ALA A 73 9.922 0.574 -7.236 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.589 -1.205 -8.901 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.245 -0.213 -9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.900 0.069 -10.105 1.00 0.00 H new ATOM 1136 N ASP A 74 12.877 1.524 -8.176 1.00 0.00 N ATOM 1137 CA ASP A 74 14.276 1.582 -7.824 1.00 0.00 C ATOM 1138 C ASP A 74 14.372 1.963 -6.352 1.00 0.00 C ATOM 1139 O ASP A 74 14.574 1.120 -5.478 1.00 0.00 O ATOM 1140 CB ASP A 74 14.900 2.646 -8.737 1.00 0.00 C ATOM 1141 CG ASP A 74 15.115 2.185 -10.170 1.00 0.00 C ATOM 1142 OD1 ASP A 74 15.149 3.052 -11.075 1.00 0.00 O ATOM 1143 OD2 ASP A 74 15.203 0.965 -10.428 1.00 0.00 O ATOM 0 H ASP A 74 12.635 2.183 -8.916 1.00 0.00 H new ATOM 0 HA ASP A 74 14.799 0.635 -7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.258 3.527 -8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.858 2.953 -8.318 1.00 0.00 H new ATOM 1148 N LYS A 75 14.120 3.242 -6.081 1.00 0.00 N ATOM 1149 CA LYS A 75 14.145 3.822 -4.753 1.00 0.00 C ATOM 1150 C LYS A 75 13.115 3.114 -3.903 1.00 0.00 C ATOM 1151 O LYS A 75 13.419 2.786 -2.774 1.00 0.00 O ATOM 1152 CB LYS A 75 13.907 5.341 -4.760 1.00 0.00 C ATOM 1153 CG LYS A 75 14.487 6.055 -5.952 1.00 0.00 C ATOM 1154 CD LYS A 75 13.408 6.196 -7.032 1.00 0.00 C ATOM 1155 CE LYS A 75 14.222 6.993 -8.022 1.00 0.00 C ATOM 1156 NZ LYS A 75 13.506 7.436 -9.231 1.00 0.00 N ATOM 0 H LYS A 75 13.886 3.919 -6.807 1.00 0.00 H new ATOM 0 HA LYS A 75 15.142 3.683 -4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.834 5.529 -4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.334 5.768 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.854 7.038 -5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.340 5.500 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.072 5.238 -7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.521 6.725 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.618 7.873 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.077 6.391 -8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.916 6.972 -10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.501 7.182 -9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.596 8.467 -9.329 1.00 0.00 H new ATOM 1170 N LEU A 76 11.915 2.833 -4.422 1.00 0.00 N ATOM 1171 CA LEU A 76 10.888 2.135 -3.631 1.00 0.00 C ATOM 1172 C LEU A 76 11.430 0.834 -3.039 1.00 0.00 C ATOM 1173 O LEU A 76 11.258 0.620 -1.838 1.00 0.00 O ATOM 1174 CB LEU A 76 9.606 1.853 -4.424 1.00 0.00 C ATOM 1175 CG LEU A 76 8.656 3.055 -4.513 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.507 2.698 -5.465 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.085 3.425 -3.135 1.00 0.00 C ATOM 0 H LEU A 76 11.631 3.073 -5.372 1.00 0.00 H new ATOM 0 HA LEU A 76 10.626 2.816 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.875 1.539 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.079 1.019 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 76 9.213 3.916 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.821 3.542 -5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.910 2.469 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.972 1.829 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.417 4.280 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.531 2.577 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.901 3.680 -2.459 1.00 0.00 H new ATOM 1189 N ALA A 77 12.040 -0.034 -3.857 1.00 0.00 N ATOM 1190 CA ALA A 77 12.608 -1.285 -3.328 1.00 0.00 C ATOM 1191 C ALA A 77 13.673 -0.979 -2.257 1.00 0.00 C ATOM 1192 O ALA A 77 13.671 -1.592 -1.187 1.00 0.00 O ATOM 1193 CB ALA A 77 13.256 -2.102 -4.450 1.00 0.00 C ATOM 0 H ALA A 77 12.152 0.099 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 77 11.795 -1.860 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.670 -3.022 -4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.506 -2.346 -5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.054 -1.520 -4.910 1.00 0.00 H new ATOM 1199 N ALA A 78 14.564 -0.024 -2.546 1.00 0.00 N ATOM 1200 CA ALA A 78 15.661 0.396 -1.682 1.00 0.00 C ATOM 1201 C ALA A 78 15.226 0.971 -0.327 1.00 0.00 C ATOM 1202 O ALA A 78 15.765 0.582 0.708 1.00 0.00 O ATOM 1203 CB ALA A 78 16.511 1.419 -2.444 1.00 0.00 C ATOM 0 H ALA A 78 14.535 0.495 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 78 16.232 -0.499 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.338 1.746 -1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.905 0.961 -3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.895 2.278 -2.709 1.00 0.00 H new ATOM 1209 N ILE A 79 14.284 1.913 -0.351 1.00 0.00 N ATOM 1210 CA ILE A 79 13.689 2.639 0.766 1.00 0.00 C ATOM 1211 C ILE A 79 13.099 1.661 1.779 1.00 0.00 C ATOM 1212 O ILE A 79 13.251 1.860 2.986 1.00 0.00 O ATOM 1213 CB ILE A 79 12.604 3.605 0.201 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.224 4.844 -0.487 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.628 4.103 1.276 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.267 5.549 -1.463 1.00 0.00 C ATOM 0 H ILE A 79 13.881 2.214 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 79 14.448 3.222 1.288 1.00 0.00 H new ATOM 0 HB ILE A 79 12.059 3.007 -0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.538 5.554 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.121 4.539 -1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.897 4.771 0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.114 3.252 1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.180 4.640 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.769 6.408 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.972 4.854 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.381 5.885 -0.925 1.00 0.00 H new ATOM 1228 N ALA A 80 12.390 0.640 1.294 1.00 0.00 N ATOM 1229 CA ALA A 80 11.753 -0.341 2.153 1.00 0.00 C ATOM 1230 C ALA A 80 12.742 -1.320 2.796 1.00 0.00 C ATOM 1231 O ALA A 80 12.626 -1.598 3.994 1.00 0.00 O ATOM 1232 CB ALA A 80 10.711 -1.077 1.316 1.00 0.00 C ATOM 0 H ALA A 80 12.246 0.476 0.298 1.00 0.00 H new ATOM 0 HA ALA A 80 11.287 0.176 2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.211 -1.824 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.976 -0.365 0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.201 -1.568 0.475 1.00 0.00 H new ATOM 1238 N ALA A 81 13.708 -1.822 2.013 1.00 0.00 N ATOM 1239 CA ALA A 81 14.715 -2.778 2.464 1.00 0.00 C ATOM 1240 C ALA A 81 15.429 -2.319 3.749 1.00 0.00 C ATOM 1241 O ALA A 81 15.620 -1.109 3.931 1.00 0.00 O ATOM 1242 CB ALA A 81 15.731 -3.006 1.335 1.00 0.00 C ATOM 0 H ALA A 81 13.808 -1.566 1.031 1.00 0.00 H new ATOM 0 HA ALA A 81 14.209 -3.712 2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.487 -3.719 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.218 -3.400 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.210 -2.061 1.081 1.00 0.00 H new ATOM 1248 N PRO A 82 15.943 -3.226 4.604 1.00 0.00 N ATOM 1249 CA PRO A 82 15.938 -4.685 4.505 1.00 0.00 C ATOM 1250 C PRO A 82 14.598 -5.274 4.965 1.00 0.00 C ATOM 1251 O PRO A 82 14.287 -5.277 6.155 1.00 0.00 O ATOM 1252 CB PRO A 82 17.092 -5.144 5.399 1.00 0.00 C ATOM 1253 CG PRO A 82 17.144 -4.087 6.497 1.00 0.00 C ATOM 1254 CD PRO A 82 16.738 -2.821 5.754 1.00 0.00 C ATOM 0 HA PRO A 82 16.063 -5.024 3.477 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.910 -6.138 5.809 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.030 -5.194 4.847 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.459 -4.316 7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.140 -4.001 6.931 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.163 -2.162 6.405 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.619 -2.264 5.434 1.00 0.00 H new ATOM 1262 N ALA A 83 13.816 -5.754 4.003 1.00 0.00 N ATOM 1263 CA ALA A 83 12.497 -6.366 4.090 1.00 0.00 C ATOM 1264 C ALA A 83 12.004 -6.499 2.643 1.00 0.00 C ATOM 1265 O ALA A 83 12.615 -5.945 1.721 1.00 0.00 O ATOM 1266 CB ALA A 83 11.538 -5.524 4.945 1.00 0.00 C ATOM 0 H ALA A 83 14.129 -5.718 3.033 1.00 0.00 H new ATOM 0 HA ALA A 83 12.541 -7.338 4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.564 -6.012 4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.939 -5.428 5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.429 -4.534 4.502 1.00 0.00 H new ATOM 1272 N GLU A 84 10.911 -7.223 2.423 1.00 0.00 N ATOM 1273 CA GLU A 84 10.339 -7.446 1.103 1.00 0.00 C ATOM 1274 C GLU A 84 9.227 -6.456 0.799 1.00 0.00 C ATOM 1275 O GLU A 84 8.584 -5.933 1.713 1.00 0.00 O ATOM 1276 CB GLU A 84 9.847 -8.887 0.976 1.00 0.00 C ATOM 1277 CG GLU A 84 11.044 -9.833 0.860 1.00 0.00 C ATOM 1278 CD GLU A 84 10.788 -10.984 -0.106 1.00 0.00 C ATOM 1279 OE1 GLU A 84 10.970 -12.142 0.340 1.00 0.00 O ATOM 1280 OE2 GLU A 84 10.515 -10.718 -1.303 1.00 0.00 O ATOM 0 H GLU A 84 10.390 -7.679 3.172 1.00 0.00 H new ATOM 0 HA GLU A 84 11.123 -7.282 0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.244 -9.153 1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.206 -8.987 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.916 -9.271 0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.281 -10.236 1.845 1.00 0.00 H new ATOM 1287 N ILE A 85 8.994 -6.245 -0.496 1.00 0.00 N ATOM 1288 CA ILE A 85 8.017 -5.341 -1.064 1.00 0.00 C ATOM 1289 C ILE A 85 7.250 -6.054 -2.175 1.00 0.00 C ATOM 1290 O ILE A 85 7.851 -6.766 -2.978 1.00 0.00 O ATOM 1291 CB ILE A 85 8.712 -4.069 -1.599 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.086 -4.306 -2.273 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.794 -3.026 -0.483 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.297 -4.367 -1.326 1.00 0.00 C ATOM 0 H ILE A 85 9.522 -6.738 -1.216 1.00 0.00 H new ATOM 0 HA ILE A 85 7.311 -5.037 -0.291 1.00 0.00 H new ATOM 0 HB ILE A 85 8.089 -3.695 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.039 -5.241 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.256 -3.510 -2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.284 -2.128 -0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.789 -2.776 -0.144 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.368 -3.430 0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.204 -4.536 -1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.383 -3.425 -0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.163 -5.183 -0.616 1.00 0.00 H new ATOM 1306 N PHE A 86 5.937 -5.828 -2.251 1.00 0.00 N ATOM 1307 CA PHE A 86 5.060 -6.418 -3.261 1.00 0.00 C ATOM 1308 C PHE A 86 4.142 -5.339 -3.842 1.00 0.00 C ATOM 1309 O PHE A 86 4.063 -4.238 -3.289 1.00 0.00 O ATOM 1310 CB PHE A 86 4.244 -7.588 -2.679 1.00 0.00 C ATOM 1311 CG PHE A 86 5.071 -8.753 -2.181 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.686 -8.691 -0.919 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.247 -9.889 -2.991 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.532 -9.735 -0.507 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.060 -10.949 -2.554 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.719 -10.865 -1.318 1.00 0.00 C ATOM 0 H PHE A 86 5.445 -5.217 -1.599 1.00 0.00 H new ATOM 0 HA PHE A 86 5.676 -6.824 -4.063 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.636 -7.214 -1.855 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.557 -7.949 -3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.510 -7.846 -0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.756 -9.947 -3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.043 -9.667 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.178 -11.828 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.367 -11.666 -0.993 1.00 0.00 H new ATOM 1326 N LEU A 87 3.442 -5.662 -4.931 1.00 0.00 N ATOM 1327 CA LEU A 87 2.507 -4.814 -5.671 1.00 0.00 C ATOM 1328 C LEU A 87 1.160 -5.543 -5.768 1.00 0.00 C ATOM 1329 O LEU A 87 1.107 -6.756 -5.570 1.00 0.00 O ATOM 1330 CB LEU A 87 3.050 -4.511 -7.083 1.00 0.00 C ATOM 1331 CG LEU A 87 4.500 -3.994 -7.148 1.00 0.00 C ATOM 1332 CD1 LEU A 87 4.947 -3.833 -8.606 1.00 0.00 C ATOM 1333 CD2 LEU A 87 4.671 -2.648 -6.431 1.00 0.00 C ATOM 0 H LEU A 87 3.520 -6.589 -5.348 1.00 0.00 H new ATOM 0 HA LEU A 87 2.382 -3.866 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.981 -5.420 -7.681 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.400 -3.772 -7.551 1.00 0.00 H new ATOM 0 HG LEU A 87 5.117 -4.736 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.973 -3.467 -8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.892 -4.797 -9.112 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.294 -3.121 -9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.710 -2.326 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.026 -1.903 -6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.399 -2.758 -5.381 1.00 0.00 H new ATOM 1345 N LEU A 88 0.087 -4.818 -6.105 1.00 0.00 N ATOM 1346 CA LEU A 88 -1.286 -5.337 -6.224 1.00 0.00 C ATOM 1347 C LEU A 88 -1.923 -4.899 -7.549 1.00 0.00 C ATOM 1348 O LEU A 88 -1.309 -4.125 -8.287 1.00 0.00 O ATOM 1349 CB LEU A 88 -2.106 -4.736 -5.063 1.00 0.00 C ATOM 1350 CG LEU A 88 -3.434 -5.466 -4.743 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -3.345 -6.258 -3.444 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -4.600 -4.475 -4.695 1.00 0.00 C ATOM 0 H LEU A 88 0.150 -3.821 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.271 -6.426 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.487 -4.733 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.330 -3.696 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.617 -6.178 -5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.296 -6.755 -3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.555 -7.005 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.119 -5.581 -2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.523 -5.009 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.413 -3.730 -3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.696 -3.979 -5.661 1.00 0.00 H new ATOM 1364 N GLU A 89 -3.160 -5.333 -7.810 1.00 0.00 N ATOM 1365 CA GLU A 89 -4.028 -5.064 -8.952 1.00 0.00 C ATOM 1366 C GLU A 89 -4.330 -3.563 -8.947 1.00 0.00 C ATOM 1367 O GLU A 89 -5.346 -3.090 -8.442 1.00 0.00 O ATOM 1368 CB GLU A 89 -5.287 -5.951 -8.841 1.00 0.00 C ATOM 1369 CG GLU A 89 -6.297 -5.745 -9.980 1.00 0.00 C ATOM 1370 CD GLU A 89 -7.219 -6.958 -10.148 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -6.944 -7.774 -11.066 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -8.183 -7.126 -9.363 1.00 0.00 O ATOM 0 H GLU A 89 -3.627 -5.952 -7.147 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.563 -5.311 -9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.982 -6.997 -8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.780 -5.748 -7.890 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.897 -4.857 -9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.762 -5.563 -10.912 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.377 -2.808 -9.486 1.00 0.00 N ATOM 1380 CA ASP A 90 -3.306 -1.353 -9.645 1.00 0.00 C ATOM 1381 C ASP A 90 -3.374 -0.548 -8.338 1.00 0.00 C ATOM 1382 O ASP A 90 -3.074 0.651 -8.335 1.00 0.00 O ATOM 1383 CB ASP A 90 -4.255 -0.887 -10.758 1.00 0.00 C ATOM 1384 CG ASP A 90 -3.639 -1.218 -12.114 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -4.058 -2.190 -12.787 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -2.648 -0.559 -12.506 1.00 0.00 O ATOM 0 H ASP A 90 -2.539 -3.249 -9.866 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.295 -1.118 -9.978 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.223 -1.377 -10.656 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.431 0.186 -10.677 1.00 0.00 H new ATOM 1391 N GLY A 91 -3.635 -1.214 -7.212 1.00 0.00 N ATOM 1392 CA GLY A 91 -3.724 -0.662 -5.880 1.00 0.00 C ATOM 1393 C GLY A 91 -5.159 -0.645 -5.384 1.00 0.00 C ATOM 1394 O GLY A 91 -5.853 -1.664 -5.423 1.00 0.00 O ATOM 0 H GLY A 91 -3.799 -2.221 -7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.109 -1.250 -5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.324 0.352 -5.877 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.618 0.514 -4.906 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.977 0.666 -4.389 1.00 0.00 C ATOM 1400 C ILE A 92 -8.003 0.278 -5.475 1.00 0.00 C ATOM 1401 O ILE A 92 -9.103 -0.189 -5.173 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.139 2.096 -3.813 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -8.024 2.149 -2.549 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.562 3.132 -4.867 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -9.423 1.552 -2.672 1.00 0.00 C ATOM 0 H ILE A 92 -5.061 1.368 -4.867 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.170 -0.018 -3.562 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.138 2.384 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.502 1.631 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.123 3.191 -2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.657 4.111 -4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.809 3.179 -5.654 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.520 2.842 -5.298 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.945 1.649 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.978 2.082 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.347 0.498 -2.938 1.00 0.00 H new ATOM 1417 N ASP A 93 -7.617 0.405 -6.749 1.00 0.00 N ATOM 1418 CA ASP A 93 -8.423 0.081 -7.921 1.00 0.00 C ATOM 1419 C ASP A 93 -8.913 -1.374 -7.911 1.00 0.00 C ATOM 1420 O ASP A 93 -9.988 -1.655 -8.444 1.00 0.00 O ATOM 1421 CB ASP A 93 -7.627 0.372 -9.199 1.00 0.00 C ATOM 1422 CG ASP A 93 -8.515 0.372 -10.444 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -9.708 0.716 -10.349 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -8.004 0.123 -11.562 1.00 0.00 O ATOM 0 H ASP A 93 -6.691 0.753 -6.998 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.311 0.713 -7.893 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.134 1.340 -9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.842 -0.375 -9.314 1.00 0.00 H new ATOM 1429 N GLY A 94 -8.214 -2.296 -7.238 1.00 0.00 N ATOM 1430 CA GLY A 94 -8.602 -3.704 -7.142 1.00 0.00 C ATOM 1431 C GLY A 94 -8.953 -4.148 -5.721 1.00 0.00 C ATOM 1432 O GLY A 94 -9.622 -5.171 -5.565 1.00 0.00 O ATOM 0 H GLY A 94 -7.351 -2.080 -6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.460 -3.881 -7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.786 -4.323 -7.516 1.00 0.00 H new ATOM 1436 N TRP A 95 -8.575 -3.380 -4.692 1.00 0.00 N ATOM 1437 CA TRP A 95 -8.838 -3.703 -3.289 1.00 0.00 C ATOM 1438 C TRP A 95 -10.333 -3.854 -2.981 1.00 0.00 C ATOM 1439 O TRP A 95 -10.765 -4.847 -2.394 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.180 -2.652 -2.380 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.240 -2.964 -0.913 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.259 -2.647 -0.081 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.278 -3.699 -0.095 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -9.000 -3.137 1.182 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.809 -3.836 1.223 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -6.008 -4.264 -0.332 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -7.139 -4.554 2.231 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.324 -4.980 0.670 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.890 -5.140 1.948 1.00 0.00 C ATOM 0 H TRP A 95 -8.070 -2.503 -4.816 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.394 -4.678 -3.087 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.135 -2.542 -2.672 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.662 -1.690 -2.553 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.142 -2.094 -0.363 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.612 -3.000 1.986 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.550 -4.145 -1.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.578 -4.655 3.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.357 -5.410 0.455 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.371 -5.708 2.706 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.143 -2.849 -3.326 1.00 0.00 N ATOM 1461 CA LYS A 96 -12.586 -2.892 -3.082 1.00 0.00 C ATOM 1462 C LYS A 96 -13.224 -3.946 -3.977 1.00 0.00 C ATOM 1463 O LYS A 96 -14.153 -4.620 -3.529 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.244 -1.526 -3.314 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.641 -0.441 -2.408 1.00 0.00 C ATOM 1466 CD LYS A 96 -13.187 0.958 -2.704 1.00 0.00 C ATOM 1467 CE LYS A 96 -12.842 1.389 -4.134 1.00 0.00 C ATOM 1468 NZ LYS A 96 -13.028 2.836 -4.336 1.00 0.00 N ATOM 0 H LYS A 96 -10.821 -1.993 -3.777 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.745 -3.155 -2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.123 -1.237 -4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.315 -1.602 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.844 -0.691 -1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.558 -0.435 -2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.268 0.967 -2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.771 1.673 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.808 1.123 -4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.468 0.841 -4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.784 3.084 -5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.020 3.087 -4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.412 3.360 -3.682 1.00 0.00 H new ATOM 1482 N LYS A 97 -12.714 -4.133 -5.203 1.00 0.00 N ATOM 1483 CA LYS A 97 -13.237 -5.134 -6.133 1.00 0.00 C ATOM 1484 C LYS A 97 -13.097 -6.526 -5.505 1.00 0.00 C ATOM 1485 O LYS A 97 -13.988 -7.357 -5.653 1.00 0.00 O ATOM 1486 CB LYS A 97 -12.534 -4.968 -7.488 1.00 0.00 C ATOM 1487 CG LYS A 97 -13.114 -5.842 -8.610 1.00 0.00 C ATOM 1488 CD LYS A 97 -12.379 -5.512 -9.918 1.00 0.00 C ATOM 1489 CE LYS A 97 -12.909 -6.249 -11.150 1.00 0.00 C ATOM 1490 NZ LYS A 97 -12.596 -7.690 -11.128 1.00 0.00 N ATOM 0 H LYS A 97 -11.930 -3.595 -5.573 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.302 -4.998 -6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.594 -3.922 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -11.477 -5.205 -7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.997 -6.898 -8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.183 -5.657 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.446 -4.439 -10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.322 -5.749 -9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.989 -6.117 -11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.482 -5.802 -12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.977 -8.141 -11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.565 -7.821 -11.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.025 -8.126 -10.287 1.00 0.00 H new ATOM 1504 N ALA A 98 -12.027 -6.756 -4.734 1.00 0.00 N ATOM 1505 CA ALA A 98 -11.773 -8.017 -4.043 1.00 0.00 C ATOM 1506 C ALA A 98 -12.737 -8.235 -2.872 1.00 0.00 C ATOM 1507 O ALA A 98 -12.791 -9.330 -2.317 1.00 0.00 O ATOM 1508 CB ALA A 98 -10.347 -8.006 -3.513 1.00 0.00 C ATOM 0 H ALA A 98 -11.303 -6.056 -4.573 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.923 -8.829 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.144 -8.943 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.651 -7.893 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.223 -7.174 -2.820 1.00 0.00 H new ATOM 1514 N GLY A 99 -13.471 -7.206 -2.460 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.440 -7.264 -1.376 1.00 0.00 C ATOM 1516 C GLY A 99 -13.856 -6.950 -0.001 1.00 0.00 C ATOM 1517 O GLY A 99 -14.558 -7.083 1.007 1.00 0.00 O ATOM 0 H GLY A 99 -13.404 -6.281 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.246 -6.561 -1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.883 -8.260 -1.352 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.584 -6.564 0.075 1.00 0.00 N ATOM 1522 CA LEU A 100 -11.940 -6.254 1.346 1.00 0.00 C ATOM 1523 C LEU A 100 -12.498 -4.946 1.925 1.00 0.00 C ATOM 1524 O LEU A 100 -12.981 -4.105 1.161 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.424 -6.190 1.138 1.00 0.00 C ATOM 1526 CG LEU A 100 -9.818 -7.529 0.681 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.325 -7.336 0.443 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -10.066 -8.636 1.711 1.00 0.00 C ATOM 0 H LEU A 100 -11.976 -6.458 -0.737 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.153 -7.039 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.197 -5.424 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.949 -5.882 2.069 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.301 -7.841 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.883 -8.278 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.174 -6.580 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.848 -7.011 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.625 -9.568 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.611 -8.357 2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.139 -8.771 1.848 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.428 -4.745 3.252 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.939 -3.551 3.917 1.00 0.00 C ATOM 1542 C PRO A 101 -12.076 -2.311 3.654 1.00 0.00 C ATOM 1543 O PRO A 101 -10.968 -2.388 3.110 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.975 -3.915 5.407 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.816 -4.899 5.549 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.874 -5.669 4.231 1.00 0.00 C ATOM 0 HA PRO A 101 -13.923 -3.278 3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.840 -3.038 6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.926 -4.368 5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.862 -4.387 5.678 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.944 -5.556 6.409 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.882 -6.006 3.932 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.498 -6.558 4.325 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.590 -1.154 4.066 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.965 0.157 3.937 1.00 0.00 C ATOM 1556 C VAL A 102 -12.183 0.956 5.222 1.00 0.00 C ATOM 1557 O VAL A 102 -13.036 0.630 6.044 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.523 0.935 2.729 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.848 0.522 1.420 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -14.039 0.818 2.595 1.00 0.00 C ATOM 0 H VAL A 102 -13.501 -1.105 4.522 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.898 0.010 3.771 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.290 1.981 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.272 1.095 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.778 0.717 1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.013 -0.541 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.372 1.387 1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.313 -0.229 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.515 1.213 3.492 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.375 1.999 5.383 1.00 0.00 N ATOM 1571 CA ALA A 103 -11.366 2.929 6.485 1.00 0.00 C ATOM 1572 C ALA A 103 -12.177 4.136 6.026 1.00 0.00 C ATOM 1573 O ALA A 103 -11.636 5.186 5.677 1.00 0.00 O ATOM 1574 CB ALA A 103 -9.924 3.278 6.867 1.00 0.00 C ATOM 0 H ALA A 103 -10.661 2.225 4.691 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.813 2.514 7.389 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.928 3.981 7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.396 2.371 7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.421 3.731 6.013 1.00 0.00 H new