USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 825 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 103 SER OG : rot -78:sc= 1.32 USER MOD Set 1.2: A 104 THR OG1 : rot 159:sc= 1.02 USER MOD Set 2.1: A 28 LYS NZ :NH3+ -160:sc= 0.721 (180deg=0) USER MOD Set 2.2: A 31 GLN : amide:sc= -0.399 K(o=0.32,f=-2) USER MOD Single : A 2 MET CE :methyl -173:sc= -8.59! (180deg=-9.74!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -123:sc= -4.59! USER MOD Single : A 12 LYS NZ :NH3+ -167:sc= -0.0091 (180deg=-0.21) USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0608) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -2.61 K(o=-2.6,f=-4.6!) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= -2.4! (180deg=-2.47!) USER MOD Single : A 32 MET CE :methyl -161:sc= 0 (180deg=-0.119) USER MOD Single : A 36 LYS NZ :NH3+ 140:sc=-0.00233 (180deg=-0.633) USER MOD Single : A 37 LYS NZ :NH3+ -171:sc=-0.00481 (180deg=-0.0881) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -37:sc= 0.91 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.0594 X(o=-0.059,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 32:sc= 0.439 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -79:sc= -1.24 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 58:sc= 1.07 USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= -0.0278 (180deg=-0.232) USER MOD Single : A 82 THR OG1 : rot 46:sc= 1.14 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 69:sc= 1.03 USER MOD Single : A 86 MET CE :methyl 152:sc= -7.58! (180deg=-9.98!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -130:sc= -0.0201 (180deg=-0.671) USER MOD Single : A 109 SER OG : rot 160:sc= 1.7 USER MOD ----------------------------------------------------------------- ATOM 14 N MET A 2 5.177 -8.745 6.450 1.00 0.00 N ATOM 15 CA MET A 2 5.428 -8.987 5.035 1.00 0.00 C ATOM 16 C MET A 2 6.876 -8.660 4.676 1.00 0.00 C ATOM 17 O MET A 2 7.191 -8.365 3.524 1.00 0.00 O ATOM 18 CB MET A 2 4.477 -8.150 4.184 1.00 0.00 C ATOM 19 CG MET A 2 4.407 -8.596 2.733 1.00 0.00 C ATOM 20 SD MET A 2 3.761 -10.270 2.553 1.00 0.00 S ATOM 21 CE MET A 2 3.631 -10.390 0.770 1.00 0.00 C ATOM 0 HA MET A 2 5.254 -10.044 4.832 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.478 -8.196 4.618 1.00 0.00 H new ATOM 0 HB3 MET A 2 4.793 -7.107 4.220 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.776 -7.905 2.174 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.403 -8.545 2.293 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.130 -11.321 0.504 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.056 -9.546 0.390 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.628 -10.377 0.331 1.00 0.00 H new ATOM 31 N THR A 3 7.756 -8.713 5.672 1.00 0.00 N ATOM 32 CA THR A 3 9.169 -8.421 5.461 1.00 0.00 C ATOM 33 C THR A 3 9.924 -9.639 4.929 1.00 0.00 C ATOM 34 O THR A 3 11.036 -9.513 4.415 1.00 0.00 O ATOM 35 CB THR A 3 9.842 -7.946 6.762 1.00 0.00 C ATOM 36 OG1 THR A 3 9.171 -6.785 7.267 1.00 0.00 O ATOM 37 CG2 THR A 3 11.311 -7.622 6.528 1.00 0.00 C ATOM 0 H THR A 3 7.515 -8.956 6.633 1.00 0.00 H new ATOM 0 HA THR A 3 9.213 -7.624 4.719 1.00 0.00 H new ATOM 0 HB THR A 3 9.775 -8.753 7.492 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.605 -6.491 8.095 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.763 -7.289 7.462 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.828 -8.513 6.172 1.00 0.00 H new ATOM 0 HG23 THR A 3 11.395 -6.832 5.782 1.00 0.00 H new ATOM 45 N ASP A 4 9.317 -10.816 5.057 1.00 0.00 N ATOM 46 CA ASP A 4 9.940 -12.051 4.592 1.00 0.00 C ATOM 47 C ASP A 4 9.519 -12.364 3.167 1.00 0.00 C ATOM 48 O ASP A 4 10.306 -12.873 2.368 1.00 0.00 O ATOM 49 CB ASP A 4 9.535 -13.221 5.487 1.00 0.00 C ATOM 50 CG ASP A 4 9.501 -12.845 6.956 1.00 0.00 C ATOM 51 OD1 ASP A 4 10.569 -12.872 7.600 1.00 0.00 O ATOM 52 OD2 ASP A 4 8.404 -12.525 7.461 1.00 0.00 O ATOM 0 H ASP A 4 8.396 -10.940 5.478 1.00 0.00 H new ATOM 0 HA ASP A 4 11.020 -11.911 4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.552 -13.582 5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.235 -14.044 5.342 1.00 0.00 H new ATOM 57 N LEU A 5 8.268 -12.052 2.856 1.00 0.00 N ATOM 58 CA LEU A 5 7.716 -12.319 1.554 1.00 0.00 C ATOM 59 C LEU A 5 8.104 -11.238 0.552 1.00 0.00 C ATOM 60 O LEU A 5 8.684 -11.531 -0.493 1.00 0.00 O ATOM 61 CB LEU A 5 6.209 -12.422 1.693 1.00 0.00 C ATOM 62 CG LEU A 5 5.583 -13.582 0.932 1.00 0.00 C ATOM 63 CD1 LEU A 5 4.149 -13.814 1.382 1.00 0.00 C ATOM 64 CD2 LEU A 5 5.647 -13.335 -0.568 1.00 0.00 C ATOM 0 H LEU A 5 7.617 -11.608 3.504 1.00 0.00 H new ATOM 0 HA LEU A 5 8.119 -13.256 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.960 -12.521 2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.760 -11.491 1.345 1.00 0.00 H new ATOM 0 HG LEU A 5 6.155 -14.483 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.723 -14.648 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.135 -14.045 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.560 -12.916 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.195 -14.175 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.105 -12.421 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.688 -13.232 -0.876 1.00 0.00 H new ATOM 76 N LEU A 6 7.781 -9.989 0.869 1.00 0.00 N ATOM 77 CA LEU A 6 8.123 -8.877 -0.009 1.00 0.00 C ATOM 78 C LEU A 6 9.611 -8.591 0.083 1.00 0.00 C ATOM 79 O LEU A 6 10.238 -8.857 1.109 1.00 0.00 O ATOM 80 CB LEU A 6 7.341 -7.618 0.376 1.00 0.00 C ATOM 81 CG LEU A 6 5.852 -7.650 0.044 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.130 -6.511 0.748 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.637 -7.564 -1.458 1.00 0.00 C ATOM 0 H LEU A 6 7.287 -9.723 1.721 1.00 0.00 H new ATOM 0 HA LEU A 6 7.861 -9.154 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.454 -7.453 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.791 -6.762 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 6 5.440 -8.596 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.069 -6.546 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.256 -6.611 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.547 -5.559 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.569 -7.588 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.062 -6.633 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.125 -8.409 -1.944 1.00 0.00 H new ATOM 95 N SER A 7 10.185 -8.050 -0.987 1.00 0.00 N ATOM 96 CA SER A 7 11.606 -7.732 -0.990 1.00 0.00 C ATOM 97 C SER A 7 11.967 -6.929 0.261 1.00 0.00 C ATOM 98 O SER A 7 11.577 -5.771 0.404 1.00 0.00 O ATOM 99 CB SER A 7 11.966 -6.950 -2.253 1.00 0.00 C ATOM 100 OG SER A 7 10.912 -6.085 -2.632 1.00 0.00 O ATOM 0 H SER A 7 9.694 -7.825 -1.852 1.00 0.00 H new ATOM 0 HA SER A 7 12.178 -8.660 -0.983 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.873 -6.370 -2.080 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.182 -7.644 -3.065 1.00 0.00 H new ATOM 0 HG SER A 7 10.635 -6.289 -3.550 1.00 0.00 H new ATOM 106 N ALA A 8 12.716 -7.561 1.165 1.00 0.00 N ATOM 107 CA ALA A 8 13.109 -6.928 2.421 1.00 0.00 C ATOM 108 C ALA A 8 13.874 -5.635 2.193 1.00 0.00 C ATOM 109 O ALA A 8 13.634 -4.636 2.871 1.00 0.00 O ATOM 110 CB ALA A 8 13.941 -7.890 3.258 1.00 0.00 C ATOM 0 H ALA A 8 13.063 -8.513 1.049 1.00 0.00 H new ATOM 0 HA ALA A 8 12.195 -6.677 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 8 14.228 -7.406 4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.355 -8.782 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.837 -8.171 2.705 1.00 0.00 H new ATOM 116 N GLU A 9 14.799 -5.649 1.243 1.00 0.00 N ATOM 117 CA GLU A 9 15.588 -4.462 0.949 1.00 0.00 C ATOM 118 C GLU A 9 14.714 -3.377 0.332 1.00 0.00 C ATOM 119 O GLU A 9 14.777 -2.221 0.725 1.00 0.00 O ATOM 120 CB GLU A 9 16.752 -4.805 0.012 1.00 0.00 C ATOM 121 CG GLU A 9 16.338 -4.997 -1.438 1.00 0.00 C ATOM 122 CD GLU A 9 17.500 -5.386 -2.331 1.00 0.00 C ATOM 123 OE1 GLU A 9 18.211 -4.477 -2.809 1.00 0.00 O ATOM 124 OE2 GLU A 9 17.698 -6.599 -2.551 1.00 0.00 O ATOM 0 H GLU A 9 15.020 -6.462 0.668 1.00 0.00 H new ATOM 0 HA GLU A 9 15.998 -4.085 1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.495 -4.010 0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 9 17.234 -5.716 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.569 -5.767 -1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.892 -4.074 -1.810 1.00 0.00 H new ATOM 131 N ASP A 10 13.898 -3.757 -0.636 1.00 0.00 N ATOM 132 CA ASP A 10 13.020 -2.806 -1.307 1.00 0.00 C ATOM 133 C ASP A 10 12.218 -1.983 -0.310 1.00 0.00 C ATOM 134 O ASP A 10 12.232 -0.758 -0.349 1.00 0.00 O ATOM 135 CB ASP A 10 12.055 -3.556 -2.208 1.00 0.00 C ATOM 136 CG ASP A 10 12.763 -4.290 -3.331 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.897 -4.766 -3.108 1.00 0.00 O ATOM 138 OD2 ASP A 10 12.188 -4.382 -4.435 1.00 0.00 O ATOM 0 H ASP A 10 13.823 -4.716 -0.977 1.00 0.00 H new ATOM 0 HA ASP A 10 13.646 -2.130 -1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.487 -4.270 -1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.338 -2.853 -2.632 1.00 0.00 H new ATOM 143 N ILE A 11 11.521 -2.669 0.584 1.00 0.00 N ATOM 144 CA ILE A 11 10.697 -2.013 1.592 1.00 0.00 C ATOM 145 C ILE A 11 11.542 -1.159 2.526 1.00 0.00 C ATOM 146 O ILE A 11 11.289 0.033 2.685 1.00 0.00 O ATOM 147 CB ILE A 11 9.926 -3.059 2.416 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.061 -3.943 1.512 1.00 0.00 C ATOM 149 CG2 ILE A 11 9.063 -2.376 3.467 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.175 -4.899 2.277 1.00 0.00 C ATOM 0 H ILE A 11 11.509 -3.688 0.633 1.00 0.00 H new ATOM 0 HA ILE A 11 9.992 -1.366 1.071 1.00 0.00 H new ATOM 0 HB ILE A 11 10.654 -3.696 2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.438 -3.307 0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.709 -4.513 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.524 -3.130 4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.697 -1.794 4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.349 -1.714 2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.590 -5.494 1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.793 -5.559 2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.502 -4.334 2.922 1.00 0.00 H new ATOM 162 N LYS A 12 12.556 -1.757 3.131 1.00 0.00 N ATOM 163 CA LYS A 12 13.417 -1.016 4.039 1.00 0.00 C ATOM 164 C LYS A 12 14.091 0.138 3.303 1.00 0.00 C ATOM 165 O LYS A 12 14.111 1.272 3.784 1.00 0.00 O ATOM 166 CB LYS A 12 14.468 -1.937 4.654 1.00 0.00 C ATOM 167 CG LYS A 12 13.888 -2.952 5.623 1.00 0.00 C ATOM 168 CD LYS A 12 14.981 -3.758 6.306 1.00 0.00 C ATOM 169 CE LYS A 12 14.406 -4.750 7.305 1.00 0.00 C ATOM 170 NZ LYS A 12 13.671 -4.068 8.407 1.00 0.00 N ATOM 0 H LYS A 12 12.801 -2.740 3.012 1.00 0.00 H new ATOM 0 HA LYS A 12 12.803 -0.609 4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.990 -2.465 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 12 15.211 -1.332 5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.290 -2.438 6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.218 -3.625 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.562 -4.293 5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.666 -3.082 6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.733 -5.435 6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.213 -5.351 7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.487 -4.747 9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.245 -3.281 8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.768 -3.700 8.046 1.00 0.00 H new ATOM 184 N LYS A 13 14.636 -0.162 2.128 1.00 0.00 N ATOM 185 CA LYS A 13 15.307 0.842 1.310 1.00 0.00 C ATOM 186 C LYS A 13 14.328 1.916 0.869 1.00 0.00 C ATOM 187 O LYS A 13 14.552 3.099 1.083 1.00 0.00 O ATOM 188 CB LYS A 13 15.897 0.198 0.052 1.00 0.00 C ATOM 189 CG LYS A 13 17.007 -0.808 0.310 1.00 0.00 C ATOM 190 CD LYS A 13 17.247 -1.691 -0.906 1.00 0.00 C ATOM 191 CE LYS A 13 17.446 -0.867 -2.170 1.00 0.00 C ATOM 192 NZ LYS A 13 18.573 0.097 -2.036 1.00 0.00 N ATOM 0 H LYS A 13 14.626 -1.097 1.720 1.00 0.00 H new ATOM 0 HA LYS A 13 16.098 1.284 1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.095 -0.299 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.283 0.986 -0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.926 -0.281 0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.746 -1.429 1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 13 18.125 -2.314 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.400 -2.364 -1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.637 -1.534 -3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.529 -0.323 -2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.751 0.553 -2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 18.328 0.822 -1.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 19.428 -0.409 -1.729 1.00 0.00 H new ATOM 206 N ALA A 14 13.224 1.474 0.278 1.00 0.00 N ATOM 207 CA ALA A 14 12.196 2.374 -0.223 1.00 0.00 C ATOM 208 C ALA A 14 11.582 3.193 0.895 1.00 0.00 C ATOM 209 O ALA A 14 11.378 4.399 0.763 1.00 0.00 O ATOM 210 CB ALA A 14 11.116 1.575 -0.929 1.00 0.00 C ATOM 0 H ALA A 14 13.018 0.485 0.134 1.00 0.00 H new ATOM 0 HA ALA A 14 12.664 3.063 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.348 2.252 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.555 1.028 -1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.668 0.870 -0.228 1.00 0.00 H new ATOM 216 N ILE A 15 11.289 2.525 1.995 1.00 0.00 N ATOM 217 CA ILE A 15 10.687 3.171 3.140 1.00 0.00 C ATOM 218 C ILE A 15 11.514 4.384 3.586 1.00 0.00 C ATOM 219 O ILE A 15 10.979 5.480 3.757 1.00 0.00 O ATOM 220 CB ILE A 15 10.518 2.141 4.284 1.00 0.00 C ATOM 221 CG1 ILE A 15 9.300 1.275 3.986 1.00 0.00 C ATOM 222 CG2 ILE A 15 10.378 2.799 5.653 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.986 2.009 4.179 1.00 0.00 C ATOM 0 H ILE A 15 11.461 1.527 2.117 1.00 0.00 H new ATOM 0 HA ILE A 15 9.701 3.545 2.863 1.00 0.00 H new ATOM 0 HB ILE A 15 11.421 1.531 4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.360 0.915 2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.318 0.398 4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.262 2.030 6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.269 3.390 5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.502 3.448 5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.158 1.338 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.906 2.346 5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.949 2.871 3.512 1.00 0.00 H new ATOM 235 N GLY A 16 12.812 4.176 3.774 1.00 0.00 N ATOM 236 CA GLY A 16 13.681 5.263 4.211 1.00 0.00 C ATOM 237 C GLY A 16 14.434 5.962 3.085 1.00 0.00 C ATOM 238 O GLY A 16 15.132 6.946 3.328 1.00 0.00 O ATOM 0 H GLY A 16 13.280 3.281 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 16 13.080 6.001 4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.404 4.868 4.925 1.00 0.00 H new ATOM 242 N ALA A 17 14.302 5.468 1.859 1.00 0.00 N ATOM 243 CA ALA A 17 15.006 6.060 0.720 1.00 0.00 C ATOM 244 C ALA A 17 14.518 7.469 0.406 1.00 0.00 C ATOM 245 O ALA A 17 15.315 8.401 0.306 1.00 0.00 O ATOM 246 CB ALA A 17 14.869 5.185 -0.514 1.00 0.00 C ATOM 0 H ALA A 17 13.719 4.664 1.626 1.00 0.00 H new ATOM 0 HA ALA A 17 16.056 6.126 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.400 5.645 -1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.294 4.202 -0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.815 5.079 -0.770 1.00 0.00 H new ATOM 252 N PHE A 18 13.209 7.622 0.245 1.00 0.00 N ATOM 253 CA PHE A 18 12.642 8.915 -0.091 1.00 0.00 C ATOM 254 C PHE A 18 11.287 9.165 0.573 1.00 0.00 C ATOM 255 O PHE A 18 10.288 8.514 0.281 1.00 0.00 O ATOM 256 CB PHE A 18 12.579 9.063 -1.614 1.00 0.00 C ATOM 257 CG PHE A 18 11.655 8.128 -2.371 1.00 0.00 C ATOM 258 CD1 PHE A 18 11.025 7.043 -1.770 1.00 0.00 C ATOM 259 CD2 PHE A 18 11.434 8.346 -3.723 1.00 0.00 C ATOM 260 CE1 PHE A 18 10.198 6.207 -2.500 1.00 0.00 C ATOM 261 CE2 PHE A 18 10.608 7.514 -4.455 1.00 0.00 C ATOM 262 CZ PHE A 18 9.990 6.444 -3.844 1.00 0.00 C ATOM 0 H PHE A 18 12.527 6.870 0.342 1.00 0.00 H new ATOM 0 HA PHE A 18 13.298 9.687 0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.281 10.087 -1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.587 8.930 -2.007 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.183 6.850 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 18 11.916 9.180 -4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.716 5.369 -2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.447 7.702 -5.506 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.345 5.793 -4.415 1.00 0.00 H new ATOM 272 N THR A 19 11.272 10.136 1.479 1.00 0.00 N ATOM 273 CA THR A 19 10.062 10.487 2.204 1.00 0.00 C ATOM 274 C THR A 19 9.072 11.229 1.312 1.00 0.00 C ATOM 275 O THR A 19 7.889 10.911 1.291 1.00 0.00 O ATOM 276 CB THR A 19 10.385 11.359 3.431 1.00 0.00 C ATOM 277 OG1 THR A 19 11.292 10.667 4.298 1.00 0.00 O ATOM 278 CG2 THR A 19 9.118 11.710 4.195 1.00 0.00 C ATOM 0 H THR A 19 12.088 10.694 1.728 1.00 0.00 H new ATOM 0 HA THR A 19 9.609 9.552 2.534 1.00 0.00 H new ATOM 0 HB THR A 19 10.847 12.282 3.081 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.494 11.229 5.075 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.372 12.326 5.057 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.440 12.261 3.542 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.632 10.795 4.534 1.00 0.00 H new ATOM 286 N ALA A 20 9.568 12.221 0.578 1.00 0.00 N ATOM 287 CA ALA A 20 8.733 13.012 -0.321 1.00 0.00 C ATOM 288 C ALA A 20 7.832 12.122 -1.171 1.00 0.00 C ATOM 289 O ALA A 20 6.700 12.490 -1.482 1.00 0.00 O ATOM 290 CB ALA A 20 9.603 13.887 -1.212 1.00 0.00 C ATOM 0 H ALA A 20 10.550 12.497 0.589 1.00 0.00 H new ATOM 0 HA ALA A 20 8.093 13.649 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.969 14.472 -1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.197 14.559 -0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.267 13.257 -1.804 1.00 0.00 H new ATOM 296 N ALA A 21 8.339 10.952 -1.548 1.00 0.00 N ATOM 297 CA ALA A 21 7.564 10.015 -2.351 1.00 0.00 C ATOM 298 C ALA A 21 6.363 9.515 -1.569 1.00 0.00 C ATOM 299 O ALA A 21 5.218 9.787 -1.924 1.00 0.00 O ATOM 300 CB ALA A 21 8.434 8.855 -2.800 1.00 0.00 C ATOM 0 H ALA A 21 9.278 10.632 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 21 7.203 10.534 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.840 8.165 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.263 9.232 -3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.825 8.334 -1.926 1.00 0.00 H new ATOM 306 N ASP A 22 6.631 8.780 -0.502 1.00 0.00 N ATOM 307 CA ASP A 22 5.568 8.268 0.351 1.00 0.00 C ATOM 308 C ASP A 22 4.751 9.434 0.896 1.00 0.00 C ATOM 309 O ASP A 22 3.561 9.304 1.182 1.00 0.00 O ATOM 310 CB ASP A 22 6.155 7.452 1.504 1.00 0.00 C ATOM 311 CG ASP A 22 6.931 6.243 1.021 1.00 0.00 C ATOM 312 OD1 ASP A 22 8.054 6.426 0.508 1.00 0.00 O ATOM 313 OD2 ASP A 22 6.417 5.114 1.160 1.00 0.00 O ATOM 0 H ASP A 22 7.573 8.524 -0.205 1.00 0.00 H new ATOM 0 HA ASP A 22 4.922 7.616 -0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.811 8.088 2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.349 7.124 2.161 1.00 0.00 H new ATOM 318 N SER A 23 5.415 10.579 1.032 1.00 0.00 N ATOM 319 CA SER A 23 4.792 11.793 1.526 1.00 0.00 C ATOM 320 C SER A 23 3.865 12.395 0.474 1.00 0.00 C ATOM 321 O SER A 23 2.798 12.918 0.797 1.00 0.00 O ATOM 322 CB SER A 23 5.872 12.811 1.912 1.00 0.00 C ATOM 323 OG SER A 23 5.360 14.132 1.891 1.00 0.00 O ATOM 0 H SER A 23 6.403 10.686 0.801 1.00 0.00 H new ATOM 0 HA SER A 23 4.198 11.543 2.405 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.253 12.581 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.713 12.733 1.223 1.00 0.00 H new ATOM 0 HG SER A 23 6.068 14.761 2.142 1.00 0.00 H new ATOM 329 N PHE A 24 4.282 12.314 -0.786 1.00 0.00 N ATOM 330 CA PHE A 24 3.497 12.857 -1.889 1.00 0.00 C ATOM 331 C PHE A 24 2.622 11.781 -2.531 1.00 0.00 C ATOM 332 O PHE A 24 1.394 11.851 -2.471 1.00 0.00 O ATOM 333 CB PHE A 24 4.421 13.469 -2.943 1.00 0.00 C ATOM 334 CG PHE A 24 3.687 14.092 -4.094 1.00 0.00 C ATOM 335 CD1 PHE A 24 3.010 15.289 -3.933 1.00 0.00 C ATOM 336 CD2 PHE A 24 3.674 13.482 -5.338 1.00 0.00 C ATOM 337 CE1 PHE A 24 2.331 15.866 -4.989 1.00 0.00 C ATOM 338 CE2 PHE A 24 2.996 14.052 -6.399 1.00 0.00 C ATOM 339 CZ PHE A 24 2.323 15.246 -6.224 1.00 0.00 C ATOM 0 H PHE A 24 5.159 11.877 -1.068 1.00 0.00 H new ATOM 0 HA PHE A 24 2.845 13.631 -1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.048 14.225 -2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.088 12.695 -3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.013 15.778 -2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.200 12.550 -5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.807 16.800 -4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.992 13.565 -7.363 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.792 15.694 -7.051 1.00 0.00 H new ATOM 349 N ASP A 25 3.261 10.789 -3.144 1.00 0.00 N ATOM 350 CA ASP A 25 2.533 9.708 -3.801 1.00 0.00 C ATOM 351 C ASP A 25 3.234 8.368 -3.607 1.00 0.00 C ATOM 352 O ASP A 25 4.394 8.202 -3.984 1.00 0.00 O ATOM 353 CB ASP A 25 2.398 9.994 -5.297 1.00 0.00 C ATOM 354 CG ASP A 25 1.379 9.093 -5.964 1.00 0.00 C ATOM 355 OD1 ASP A 25 0.754 8.278 -5.254 1.00 0.00 O ATOM 356 OD2 ASP A 25 1.203 9.207 -7.195 1.00 0.00 O ATOM 0 H ASP A 25 4.276 10.711 -3.200 1.00 0.00 H new ATOM 0 HA ASP A 25 1.544 9.653 -3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.109 11.035 -5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.367 9.863 -5.779 1.00 0.00 H new ATOM 361 N HIS A 26 2.523 7.411 -3.017 1.00 0.00 N ATOM 362 CA HIS A 26 3.074 6.081 -2.795 1.00 0.00 C ATOM 363 C HIS A 26 3.231 5.323 -4.113 1.00 0.00 C ATOM 364 O HIS A 26 3.807 4.242 -4.137 1.00 0.00 O ATOM 365 CB HIS A 26 2.214 5.276 -1.815 1.00 0.00 C ATOM 366 CG HIS A 26 2.331 5.745 -0.397 1.00 0.00 C ATOM 367 ND1 HIS A 26 1.397 6.558 0.210 1.00 0.00 N ATOM 368 CD2 HIS A 26 3.282 5.504 0.539 1.00 0.00 C ATOM 369 CE1 HIS A 26 1.768 6.800 1.456 1.00 0.00 C ATOM 370 NE2 HIS A 26 2.908 6.170 1.678 1.00 0.00 N ATOM 0 H HIS A 26 1.566 7.533 -2.685 1.00 0.00 H new ATOM 0 HA HIS A 26 4.062 6.209 -2.352 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.171 5.336 -2.125 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.502 4.226 -1.868 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.168 4.900 0.411 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.231 7.408 2.169 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.427 6.178 2.556 1.00 0.00 H new ATOM 379 N LYS A 27 2.700 5.878 -5.211 1.00 0.00 N ATOM 380 CA LYS A 27 2.812 5.248 -6.521 1.00 0.00 C ATOM 381 C LYS A 27 4.234 4.769 -6.763 1.00 0.00 C ATOM 382 O LYS A 27 4.488 3.581 -6.957 1.00 0.00 O ATOM 383 CB LYS A 27 2.448 6.262 -7.607 1.00 0.00 C ATOM 384 CG LYS A 27 1.143 5.972 -8.322 1.00 0.00 C ATOM 385 CD LYS A 27 -0.001 5.718 -7.359 1.00 0.00 C ATOM 386 CE LYS A 27 -1.086 4.896 -8.031 1.00 0.00 C ATOM 387 NZ LYS A 27 -1.550 5.529 -9.297 1.00 0.00 N ATOM 0 H LYS A 27 2.190 6.761 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 27 2.133 4.396 -6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.389 7.253 -7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.252 6.293 -8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.891 6.813 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.271 5.103 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.367 5.194 -6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.414 6.667 -7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.707 3.896 -8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.930 4.781 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.267 4.923 -9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.965 6.460 -9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.743 5.647 -9.942 1.00 0.00 H new ATOM 401 N LYS A 28 5.150 5.722 -6.750 1.00 0.00 N ATOM 402 CA LYS A 28 6.559 5.432 -6.948 1.00 0.00 C ATOM 403 C LYS A 28 7.056 4.487 -5.869 1.00 0.00 C ATOM 404 O LYS A 28 7.707 3.483 -6.158 1.00 0.00 O ATOM 405 CB LYS A 28 7.364 6.730 -6.917 1.00 0.00 C ATOM 406 CG LYS A 28 7.170 7.606 -8.145 1.00 0.00 C ATOM 407 CD LYS A 28 7.774 6.973 -9.389 1.00 0.00 C ATOM 408 CE LYS A 28 6.711 6.321 -10.259 1.00 0.00 C ATOM 409 NZ LYS A 28 7.299 5.687 -11.472 1.00 0.00 N ATOM 0 H LYS A 28 4.941 6.709 -6.603 1.00 0.00 H new ATOM 0 HA LYS A 28 6.689 4.954 -7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.084 7.298 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.422 6.487 -6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.106 7.778 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.628 8.580 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.300 7.734 -9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.513 6.227 -9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.178 5.568 -9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.978 7.070 -10.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.558 5.558 -12.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.049 6.298 -11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.701 4.762 -11.220 1.00 0.00 H new ATOM 423 N PHE A 29 6.745 4.813 -4.621 1.00 0.00 N ATOM 424 CA PHE A 29 7.147 3.981 -3.501 1.00 0.00 C ATOM 425 C PHE A 29 6.682 2.544 -3.722 1.00 0.00 C ATOM 426 O PHE A 29 7.392 1.599 -3.401 1.00 0.00 O ATOM 427 CB PHE A 29 6.573 4.528 -2.196 1.00 0.00 C ATOM 428 CG PHE A 29 6.796 3.617 -1.026 1.00 0.00 C ATOM 429 CD1 PHE A 29 8.025 3.570 -0.391 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.780 2.799 -0.571 1.00 0.00 C ATOM 431 CE1 PHE A 29 8.234 2.723 0.678 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.984 1.947 0.497 1.00 0.00 C ATOM 433 CZ PHE A 29 7.212 1.910 1.123 1.00 0.00 C ATOM 0 H PHE A 29 6.217 5.646 -4.362 1.00 0.00 H new ATOM 0 HA PHE A 29 8.235 3.993 -3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.025 5.497 -1.985 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.503 4.696 -2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.829 4.203 -0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.815 2.826 -1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.197 2.696 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.182 1.310 0.841 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.373 1.246 1.960 1.00 0.00 H new ATOM 443 N PHE A 30 5.483 2.399 -4.274 1.00 0.00 N ATOM 444 CA PHE A 30 4.911 1.087 -4.554 1.00 0.00 C ATOM 445 C PHE A 30 5.884 0.251 -5.371 1.00 0.00 C ATOM 446 O PHE A 30 5.931 -0.973 -5.255 1.00 0.00 O ATOM 447 CB PHE A 30 3.600 1.249 -5.323 1.00 0.00 C ATOM 448 CG PHE A 30 2.487 0.371 -4.822 1.00 0.00 C ATOM 449 CD1 PHE A 30 2.447 -0.979 -5.134 1.00 0.00 C ATOM 450 CD2 PHE A 30 1.473 0.903 -4.039 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.420 -1.782 -4.674 1.00 0.00 C ATOM 452 CE2 PHE A 30 0.445 0.104 -3.575 1.00 0.00 C ATOM 453 CZ PHE A 30 0.417 -1.239 -3.894 1.00 0.00 C ATOM 0 H PHE A 30 4.884 3.181 -4.538 1.00 0.00 H new ATOM 0 HA PHE A 30 4.717 0.579 -3.609 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.282 2.290 -5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.778 1.028 -6.375 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.228 -1.409 -5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.487 1.954 -3.789 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.402 -2.833 -4.924 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.336 0.530 -2.963 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.387 -1.864 -3.535 1.00 0.00 H new ATOM 463 N GLN A 31 6.657 0.938 -6.200 1.00 0.00 N ATOM 464 CA GLN A 31 7.636 0.300 -7.067 1.00 0.00 C ATOM 465 C GLN A 31 8.949 0.050 -6.327 1.00 0.00 C ATOM 466 O GLN A 31 9.554 -1.015 -6.457 1.00 0.00 O ATOM 467 CB GLN A 31 7.871 1.176 -8.302 1.00 0.00 C ATOM 468 CG GLN A 31 6.625 1.904 -8.790 1.00 0.00 C ATOM 469 CD GLN A 31 6.852 2.630 -10.101 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.973 3.030 -10.415 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.786 2.813 -10.868 1.00 0.00 N ATOM 0 H GLN A 31 6.623 1.953 -6.290 1.00 0.00 H new ATOM 0 HA GLN A 31 7.247 -0.669 -7.381 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.642 1.911 -8.072 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.255 0.553 -9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.813 1.187 -8.912 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.307 2.620 -8.032 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.876 2.464 -10.568 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.876 3.303 -11.758 1.00 0.00 H new ATOM 480 N MET A 32 9.380 1.036 -5.551 1.00 0.00 N ATOM 481 CA MET A 32 10.625 0.931 -4.790 1.00 0.00 C ATOM 482 C MET A 32 10.474 -0.030 -3.616 1.00 0.00 C ATOM 483 O MET A 32 11.405 -0.749 -3.257 1.00 0.00 O ATOM 484 CB MET A 32 11.054 2.297 -4.266 1.00 0.00 C ATOM 485 CG MET A 32 10.634 3.445 -5.152 1.00 0.00 C ATOM 486 SD MET A 32 10.971 3.152 -6.901 1.00 0.00 S ATOM 487 CE MET A 32 12.745 2.913 -6.871 1.00 0.00 C ATOM 0 H MET A 32 8.887 1.921 -5.430 1.00 0.00 H new ATOM 0 HA MET A 32 11.388 0.546 -5.467 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.633 2.444 -3.272 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.139 2.311 -4.158 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.567 3.627 -5.019 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.153 4.349 -4.835 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.149 3.057 -7.873 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.198 3.634 -6.190 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.970 1.902 -6.531 1.00 0.00 H new ATOM 497 N VAL A 33 9.284 -0.030 -3.028 1.00 0.00 N ATOM 498 CA VAL A 33 8.984 -0.877 -1.881 1.00 0.00 C ATOM 499 C VAL A 33 9.019 -2.354 -2.250 1.00 0.00 C ATOM 500 O VAL A 33 9.220 -3.214 -1.393 1.00 0.00 O ATOM 501 CB VAL A 33 7.606 -0.534 -1.281 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.513 -0.682 -2.325 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.307 -1.420 -0.096 1.00 0.00 C ATOM 0 H VAL A 33 8.504 0.554 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 33 9.757 -0.684 -1.137 1.00 0.00 H new ATOM 0 HB VAL A 33 7.633 0.503 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.549 -0.435 -1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.712 -0.008 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.493 -1.710 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.330 -1.162 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.304 -2.463 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.070 -1.275 0.668 1.00 0.00 H new ATOM 513 N GLY A 34 8.825 -2.638 -3.525 1.00 0.00 N ATOM 514 CA GLY A 34 8.851 -4.013 -3.985 1.00 0.00 C ATOM 515 C GLY A 34 7.479 -4.659 -4.013 1.00 0.00 C ATOM 516 O GLY A 34 7.369 -5.880 -4.125 1.00 0.00 O ATOM 0 H GLY A 34 8.650 -1.944 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.282 -4.047 -4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.506 -4.594 -3.336 1.00 0.00 H new ATOM 520 N LEU A 35 6.431 -3.848 -3.910 1.00 0.00 N ATOM 521 CA LEU A 35 5.071 -4.369 -3.940 1.00 0.00 C ATOM 522 C LEU A 35 4.805 -4.983 -5.300 1.00 0.00 C ATOM 523 O LEU A 35 4.091 -5.977 -5.427 1.00 0.00 O ATOM 524 CB LEU A 35 4.066 -3.256 -3.650 1.00 0.00 C ATOM 525 CG LEU A 35 3.652 -3.133 -2.187 1.00 0.00 C ATOM 526 CD1 LEU A 35 3.244 -1.704 -1.864 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.513 -4.090 -1.897 1.00 0.00 C ATOM 0 H LEU A 35 6.497 -2.835 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 35 4.959 -5.133 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.493 -2.307 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.174 -3.425 -4.253 1.00 0.00 H new ATOM 0 HG LEU A 35 4.502 -3.392 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.952 -1.637 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.084 -1.035 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.403 -1.415 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.219 -4.000 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.663 -3.848 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.836 -5.112 -2.096 1.00 0.00 H new ATOM 539 N LYS A 36 5.396 -4.375 -6.317 1.00 0.00 N ATOM 540 CA LYS A 36 5.264 -4.861 -7.680 1.00 0.00 C ATOM 541 C LYS A 36 6.194 -6.053 -7.903 1.00 0.00 C ATOM 542 O LYS A 36 5.978 -6.863 -8.805 1.00 0.00 O ATOM 543 CB LYS A 36 5.586 -3.746 -8.674 1.00 0.00 C ATOM 544 CG LYS A 36 4.515 -2.663 -8.744 1.00 0.00 C ATOM 545 CD LYS A 36 5.121 -1.265 -8.859 1.00 0.00 C ATOM 546 CE LYS A 36 6.251 -1.217 -9.874 1.00 0.00 C ATOM 547 NZ LYS A 36 5.855 -1.815 -11.179 1.00 0.00 N ATOM 0 H LYS A 36 5.974 -3.540 -6.222 1.00 0.00 H new ATOM 0 HA LYS A 36 4.235 -5.182 -7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.536 -3.288 -8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.717 -4.181 -9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.867 -2.849 -9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.889 -2.714 -7.853 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.345 -0.556 -9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.495 -0.951 -7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.557 -0.182 -10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.116 -1.750 -9.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.245 -1.243 -11.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.226 -2.785 -11.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.818 -1.835 -11.251 1.00 0.00 H new ATOM 561 N LYS A 37 7.233 -6.154 -7.068 1.00 0.00 N ATOM 562 CA LYS A 37 8.197 -7.246 -7.160 1.00 0.00 C ATOM 563 C LYS A 37 7.473 -8.589 -7.209 1.00 0.00 C ATOM 564 O LYS A 37 7.659 -9.373 -8.141 1.00 0.00 O ATOM 565 CB LYS A 37 9.157 -7.205 -5.964 1.00 0.00 C ATOM 566 CG LYS A 37 10.443 -7.986 -6.181 1.00 0.00 C ATOM 567 CD LYS A 37 10.170 -9.452 -6.463 1.00 0.00 C ATOM 568 CE LYS A 37 11.451 -10.266 -6.438 1.00 0.00 C ATOM 569 NZ LYS A 37 12.445 -9.769 -7.430 1.00 0.00 N ATOM 0 H LYS A 37 7.425 -5.488 -6.319 1.00 0.00 H new ATOM 0 HA LYS A 37 8.773 -7.127 -8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.406 -6.167 -5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.646 -7.601 -5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.996 -7.552 -7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.076 -7.897 -5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.473 -9.844 -5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.691 -9.554 -7.437 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.885 -10.229 -5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.221 -11.311 -6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.239 -10.438 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.992 -9.684 -8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.798 -8.838 -7.131 1.00 0.00 H new ATOM 583 N LYS A 38 6.645 -8.840 -6.201 1.00 0.00 N ATOM 584 CA LYS A 38 5.883 -10.081 -6.126 1.00 0.00 C ATOM 585 C LYS A 38 4.521 -9.916 -6.792 1.00 0.00 C ATOM 586 O LYS A 38 4.091 -8.799 -7.080 1.00 0.00 O ATOM 587 CB LYS A 38 5.699 -10.504 -4.667 1.00 0.00 C ATOM 588 CG LYS A 38 6.990 -10.921 -3.980 1.00 0.00 C ATOM 589 CD LYS A 38 7.392 -12.340 -4.355 1.00 0.00 C ATOM 590 CE LYS A 38 8.437 -12.358 -5.461 1.00 0.00 C ATOM 591 NZ LYS A 38 8.832 -13.746 -5.827 1.00 0.00 N ATOM 0 H LYS A 38 6.484 -8.200 -5.424 1.00 0.00 H new ATOM 0 HA LYS A 38 6.440 -10.855 -6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.254 -9.678 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.992 -11.333 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.788 -10.232 -4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.867 -10.851 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.785 -12.851 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.511 -12.894 -4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.044 -11.848 -6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.318 -11.803 -5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.545 -13.716 -6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.231 -14.225 -4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.996 -14.268 -6.160 1.00 0.00 H new ATOM 605 N SER A 39 3.846 -11.035 -7.035 1.00 0.00 N ATOM 606 CA SER A 39 2.532 -11.008 -7.666 1.00 0.00 C ATOM 607 C SER A 39 1.497 -10.394 -6.729 1.00 0.00 C ATOM 608 O SER A 39 1.684 -10.368 -5.513 1.00 0.00 O ATOM 609 CB SER A 39 2.105 -12.421 -8.065 1.00 0.00 C ATOM 610 OG SER A 39 1.944 -13.246 -6.925 1.00 0.00 O ATOM 0 H SER A 39 4.186 -11.969 -6.805 1.00 0.00 H new ATOM 0 HA SER A 39 2.597 -10.392 -8.563 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.169 -12.378 -8.622 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.851 -12.856 -8.730 1.00 0.00 H new ATOM 0 HG SER A 39 2.627 -13.021 -6.259 1.00 0.00 H new ATOM 616 N ALA A 40 0.402 -9.904 -7.301 1.00 0.00 N ATOM 617 CA ALA A 40 -0.660 -9.292 -6.517 1.00 0.00 C ATOM 618 C ALA A 40 -1.123 -10.226 -5.404 1.00 0.00 C ATOM 619 O ALA A 40 -1.636 -9.779 -4.377 1.00 0.00 O ATOM 620 CB ALA A 40 -1.821 -8.924 -7.424 1.00 0.00 C ATOM 0 H ALA A 40 0.229 -9.920 -8.306 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.272 -8.386 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.614 -8.466 -6.833 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.481 -8.219 -8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.203 -9.822 -7.909 1.00 0.00 H new ATOM 626 N ASP A 41 -0.938 -11.525 -5.613 1.00 0.00 N ATOM 627 CA ASP A 41 -1.335 -12.521 -4.624 1.00 0.00 C ATOM 628 C ASP A 41 -0.470 -12.417 -3.372 1.00 0.00 C ATOM 629 O ASP A 41 -0.971 -12.515 -2.252 1.00 0.00 O ATOM 630 CB ASP A 41 -1.231 -13.929 -5.213 1.00 0.00 C ATOM 631 CG ASP A 41 -2.239 -14.167 -6.320 1.00 0.00 C ATOM 632 OD1 ASP A 41 -1.960 -13.773 -7.473 1.00 0.00 O ATOM 633 OD2 ASP A 41 -3.307 -14.748 -6.035 1.00 0.00 O ATOM 0 H ASP A 41 -0.516 -11.913 -6.457 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.371 -12.327 -4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.225 -14.084 -5.602 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.384 -14.663 -4.422 1.00 0.00 H new ATOM 638 N ASP A 42 0.829 -12.219 -3.570 1.00 0.00 N ATOM 639 CA ASP A 42 1.760 -12.101 -2.455 1.00 0.00 C ATOM 640 C ASP A 42 1.481 -10.836 -1.651 1.00 0.00 C ATOM 641 O ASP A 42 1.285 -10.890 -0.438 1.00 0.00 O ATOM 642 CB ASP A 42 3.200 -12.085 -2.971 1.00 0.00 C ATOM 643 CG ASP A 42 3.572 -13.369 -3.687 1.00 0.00 C ATOM 644 OD1 ASP A 42 3.029 -13.615 -4.784 1.00 0.00 O ATOM 645 OD2 ASP A 42 4.410 -14.126 -3.152 1.00 0.00 O ATOM 0 H ASP A 42 1.260 -12.137 -4.491 1.00 0.00 H new ATOM 0 HA ASP A 42 1.624 -12.963 -1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.330 -11.243 -3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.881 -11.928 -2.135 1.00 0.00 H new ATOM 650 N VAL A 43 1.446 -9.701 -2.339 1.00 0.00 N ATOM 651 CA VAL A 43 1.184 -8.423 -1.689 1.00 0.00 C ATOM 652 C VAL A 43 -0.124 -8.478 -0.907 1.00 0.00 C ATOM 653 O VAL A 43 -0.219 -7.967 0.209 1.00 0.00 O ATOM 654 CB VAL A 43 1.109 -7.281 -2.721 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.436 -7.121 -3.448 1.00 0.00 C ATOM 656 CG2 VAL A 43 -0.021 -7.533 -3.708 1.00 0.00 C ATOM 0 H VAL A 43 1.596 -9.640 -3.346 1.00 0.00 H new ATOM 0 HA VAL A 43 2.009 -8.228 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 43 0.902 -6.351 -2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.359 -6.309 -4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.221 -6.891 -2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.680 -8.048 -3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.061 -6.718 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.155 -8.473 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.968 -7.589 -3.171 1.00 0.00 H new ATOM 666 N LYS A 44 -1.116 -9.140 -1.490 1.00 0.00 N ATOM 667 CA LYS A 44 -2.433 -9.271 -0.877 1.00 0.00 C ATOM 668 C LYS A 44 -2.331 -9.762 0.562 1.00 0.00 C ATOM 669 O LYS A 44 -3.151 -9.409 1.409 1.00 0.00 O ATOM 670 CB LYS A 44 -3.291 -10.251 -1.679 1.00 0.00 C ATOM 671 CG LYS A 44 -4.067 -9.612 -2.817 1.00 0.00 C ATOM 672 CD LYS A 44 -4.643 -10.667 -3.750 1.00 0.00 C ATOM 673 CE LYS A 44 -5.778 -10.112 -4.592 1.00 0.00 C ATOM 674 NZ LYS A 44 -6.214 -11.074 -5.641 1.00 0.00 N ATOM 0 H LYS A 44 -1.032 -9.599 -2.397 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.895 -8.284 -0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.647 -11.031 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.994 -10.738 -1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.874 -9.001 -2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.412 -8.945 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.856 -11.044 -4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.004 -11.513 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.623 -9.870 -3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.460 -9.182 -5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.990 -10.657 -6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.415 -11.286 -6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.542 -11.953 -5.192 1.00 0.00 H new ATOM 688 N LYS A 45 -1.318 -10.571 0.832 1.00 0.00 N ATOM 689 CA LYS A 45 -1.133 -11.133 2.158 1.00 0.00 C ATOM 690 C LYS A 45 -0.961 -10.032 3.186 1.00 0.00 C ATOM 691 O LYS A 45 -1.637 -10.024 4.217 1.00 0.00 O ATOM 692 CB LYS A 45 0.062 -12.084 2.177 1.00 0.00 C ATOM 693 CG LYS A 45 -0.258 -13.456 1.605 1.00 0.00 C ATOM 694 CD LYS A 45 0.896 -14.426 1.792 1.00 0.00 C ATOM 695 CE LYS A 45 0.527 -15.824 1.323 1.00 0.00 C ATOM 696 NZ LYS A 45 1.638 -16.792 1.529 1.00 0.00 N ATOM 0 H LYS A 45 -0.613 -10.852 0.150 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.025 -11.703 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.880 -11.642 1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.412 -12.197 3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.150 -13.853 2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.487 -13.363 0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.765 -14.072 1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.181 -14.457 2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.356 -16.166 1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.264 -15.794 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.345 -17.733 1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.474 -16.480 0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.873 -16.841 2.541 1.00 0.00 H new ATOM 710 N VAL A 46 -0.067 -9.091 2.905 1.00 0.00 N ATOM 711 CA VAL A 46 0.158 -7.995 3.819 1.00 0.00 C ATOM 712 C VAL A 46 -1.152 -7.261 4.075 1.00 0.00 C ATOM 713 O VAL A 46 -1.347 -6.660 5.132 1.00 0.00 O ATOM 714 CB VAL A 46 1.236 -7.024 3.280 1.00 0.00 C ATOM 715 CG1 VAL A 46 0.662 -5.989 2.318 1.00 0.00 C ATOM 716 CG2 VAL A 46 1.949 -6.343 4.427 1.00 0.00 C ATOM 0 H VAL A 46 0.504 -9.070 2.060 1.00 0.00 H new ATOM 0 HA VAL A 46 0.528 -8.401 4.761 1.00 0.00 H new ATOM 0 HB VAL A 46 1.951 -7.621 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.460 -5.334 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.211 -6.496 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.096 -5.397 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.704 -5.663 4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.228 -5.781 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.429 -7.094 5.055 1.00 0.00 H new ATOM 726 N PHE A 47 -2.052 -7.323 3.093 1.00 0.00 N ATOM 727 CA PHE A 47 -3.338 -6.667 3.214 1.00 0.00 C ATOM 728 C PHE A 47 -4.033 -7.100 4.489 1.00 0.00 C ATOM 729 O PHE A 47 -4.525 -6.271 5.237 1.00 0.00 O ATOM 730 CB PHE A 47 -4.238 -6.976 2.029 1.00 0.00 C ATOM 731 CG PHE A 47 -5.407 -6.033 1.912 1.00 0.00 C ATOM 732 CD1 PHE A 47 -5.199 -4.690 1.646 1.00 0.00 C ATOM 733 CD2 PHE A 47 -6.708 -6.485 2.073 1.00 0.00 C ATOM 734 CE1 PHE A 47 -6.261 -3.814 1.541 1.00 0.00 C ATOM 735 CE2 PHE A 47 -7.778 -5.611 1.971 1.00 0.00 C ATOM 736 CZ PHE A 47 -7.552 -4.276 1.705 1.00 0.00 C ATOM 0 H PHE A 47 -1.908 -7.819 2.214 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.152 -5.593 3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.650 -6.931 1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.610 -7.997 2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.191 -4.323 1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.889 -7.529 2.280 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.082 -2.770 1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.787 -5.974 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.385 -3.593 1.625 1.00 0.00 H new ATOM 746 N HIS A 48 -4.061 -8.409 4.724 1.00 0.00 N ATOM 747 CA HIS A 48 -4.701 -8.958 5.912 1.00 0.00 C ATOM 748 C HIS A 48 -3.866 -8.650 7.138 1.00 0.00 C ATOM 749 O HIS A 48 -4.397 -8.387 8.217 1.00 0.00 O ATOM 750 CB HIS A 48 -4.900 -10.468 5.772 1.00 0.00 C ATOM 751 CG HIS A 48 -5.668 -11.078 6.905 1.00 0.00 C ATOM 752 ND1 HIS A 48 -7.019 -11.345 6.838 1.00 0.00 N ATOM 753 CD2 HIS A 48 -5.266 -11.475 8.135 1.00 0.00 C ATOM 754 CE1 HIS A 48 -7.417 -11.879 7.980 1.00 0.00 C ATOM 755 NE2 HIS A 48 -6.373 -11.969 8.783 1.00 0.00 N ATOM 0 H HIS A 48 -3.648 -9.108 4.107 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.681 -8.494 6.023 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.423 -10.672 4.838 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.925 -10.950 5.704 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.264 -11.415 8.533 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.424 -12.189 8.216 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.386 -12.345 9.731 1.00 0.00 H new ATOM 764 N ILE A 49 -2.549 -8.685 6.968 1.00 0.00 N ATOM 765 CA ILE A 49 -1.637 -8.380 8.056 1.00 0.00 C ATOM 766 C ILE A 49 -2.018 -7.049 8.684 1.00 0.00 C ATOM 767 O ILE A 49 -2.146 -6.926 9.903 1.00 0.00 O ATOM 768 CB ILE A 49 -0.186 -8.284 7.551 1.00 0.00 C ATOM 769 CG1 ILE A 49 0.224 -9.581 6.854 1.00 0.00 C ATOM 770 CG2 ILE A 49 0.757 -7.971 8.701 1.00 0.00 C ATOM 771 CD1 ILE A 49 0.071 -10.812 7.719 1.00 0.00 C ATOM 0 H ILE A 49 -2.093 -8.922 6.087 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.708 -9.183 8.789 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.124 -7.472 6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.377 -9.704 5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.263 -9.499 6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.779 -7.907 8.327 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.476 -7.020 9.154 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.694 -8.762 9.449 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.381 -11.693 7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.693 -10.712 8.608 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.972 -10.920 8.017 1.00 0.00 H new ATOM 783 N LEU A 50 -2.197 -6.057 7.822 1.00 0.00 N ATOM 784 CA LEU A 50 -2.562 -4.723 8.241 1.00 0.00 C ATOM 785 C LEU A 50 -4.081 -4.537 8.320 1.00 0.00 C ATOM 786 O LEU A 50 -4.578 -3.830 9.192 1.00 0.00 O ATOM 787 CB LEU A 50 -1.956 -3.737 7.250 1.00 0.00 C ATOM 788 CG LEU A 50 -2.557 -3.772 5.844 1.00 0.00 C ATOM 789 CD1 LEU A 50 -3.745 -2.826 5.733 1.00 0.00 C ATOM 790 CD2 LEU A 50 -1.498 -3.422 4.809 1.00 0.00 C ATOM 0 H LEU A 50 -2.092 -6.161 6.813 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.177 -4.548 9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.068 -2.729 7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.886 -3.933 7.175 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.914 -4.784 5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.153 -2.871 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.513 -3.121 6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.421 -1.808 5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.939 -3.451 3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.113 -2.422 5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.682 -4.143 4.865 1.00 0.00 H new ATOM 802 N ASP A 51 -4.818 -5.181 7.417 1.00 0.00 N ATOM 803 CA ASP A 51 -6.273 -5.039 7.384 1.00 0.00 C ATOM 804 C ASP A 51 -6.975 -6.255 8.021 1.00 0.00 C ATOM 805 O ASP A 51 -7.619 -7.073 7.372 1.00 0.00 O ATOM 806 CB ASP A 51 -6.706 -4.729 5.927 1.00 0.00 C ATOM 807 CG ASP A 51 -7.359 -5.861 5.154 1.00 0.00 C ATOM 808 OD1 ASP A 51 -6.803 -6.970 5.120 1.00 0.00 O ATOM 809 OD2 ASP A 51 -8.424 -5.624 4.559 1.00 0.00 O ATOM 0 H ASP A 51 -4.436 -5.802 6.703 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.592 -4.199 8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.399 -3.888 5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.826 -4.402 5.373 1.00 0.00 H new ATOM 814 N LYS A 52 -6.816 -6.372 9.332 1.00 0.00 N ATOM 815 CA LYS A 52 -7.401 -7.463 10.089 1.00 0.00 C ATOM 816 C LYS A 52 -8.904 -7.279 10.287 1.00 0.00 C ATOM 817 O LYS A 52 -9.681 -8.217 10.110 1.00 0.00 O ATOM 818 CB LYS A 52 -6.678 -7.611 11.432 1.00 0.00 C ATOM 819 CG LYS A 52 -6.966 -6.505 12.436 1.00 0.00 C ATOM 820 CD LYS A 52 -8.159 -6.840 13.318 1.00 0.00 C ATOM 821 CE LYS A 52 -7.847 -7.991 14.261 1.00 0.00 C ATOM 822 NZ LYS A 52 -8.986 -8.287 15.173 1.00 0.00 N ATOM 0 H LYS A 52 -6.279 -5.714 9.897 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.272 -8.381 9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.957 -8.567 11.876 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.604 -7.646 11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.087 -6.342 13.060 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.157 -5.573 11.905 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.444 -5.961 13.896 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.013 -7.101 12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.607 -8.881 13.680 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.963 -7.747 14.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.733 -9.078 15.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.199 -7.446 15.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.823 -8.545 14.611 1.00 0.00 H new ATOM 836 N ASP A 53 -9.310 -6.064 10.654 1.00 0.00 N ATOM 837 CA ASP A 53 -10.717 -5.773 10.902 1.00 0.00 C ATOM 838 C ASP A 53 -11.280 -4.772 9.896 1.00 0.00 C ATOM 839 O ASP A 53 -12.281 -4.111 10.170 1.00 0.00 O ATOM 840 CB ASP A 53 -10.904 -5.234 12.325 1.00 0.00 C ATOM 841 CG ASP A 53 -12.362 -5.019 12.680 1.00 0.00 C ATOM 842 OD1 ASP A 53 -13.014 -5.988 13.125 1.00 0.00 O ATOM 843 OD2 ASP A 53 -12.852 -3.882 12.515 1.00 0.00 O ATOM 0 H ASP A 53 -8.685 -5.269 10.785 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.266 -6.708 10.787 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.460 -5.932 13.035 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.366 -4.291 12.426 1.00 0.00 H new ATOM 848 N LYS A 54 -10.646 -4.656 8.730 1.00 0.00 N ATOM 849 CA LYS A 54 -11.127 -3.729 7.707 1.00 0.00 C ATOM 850 C LYS A 54 -12.622 -3.924 7.472 1.00 0.00 C ATOM 851 O LYS A 54 -13.327 -3.002 7.068 1.00 0.00 O ATOM 852 CB LYS A 54 -10.365 -3.914 6.391 1.00 0.00 C ATOM 853 CG LYS A 54 -10.851 -5.080 5.531 1.00 0.00 C ATOM 854 CD LYS A 54 -10.433 -6.421 6.108 1.00 0.00 C ATOM 855 CE LYS A 54 -10.619 -7.546 5.103 1.00 0.00 C ATOM 856 NZ LYS A 54 -10.254 -8.870 5.675 1.00 0.00 N ATOM 0 H LYS A 54 -9.811 -5.183 8.473 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.951 -2.715 8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.442 -2.995 5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.309 -4.062 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.937 -5.043 5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.451 -4.978 4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.388 -6.376 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.019 -6.631 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.657 -7.568 4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.007 -7.350 4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.395 -9.609 4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.256 -8.858 5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.855 -9.069 6.500 1.00 0.00 H new ATOM 870 N SER A 55 -13.075 -5.152 7.722 1.00 0.00 N ATOM 871 CA SER A 55 -14.479 -5.525 7.542 1.00 0.00 C ATOM 872 C SER A 55 -14.804 -5.742 6.064 1.00 0.00 C ATOM 873 O SER A 55 -15.879 -5.374 5.593 1.00 0.00 O ATOM 874 CB SER A 55 -15.408 -4.465 8.137 1.00 0.00 C ATOM 875 OG SER A 55 -15.056 -4.170 9.477 1.00 0.00 O ATOM 0 H SER A 55 -12.483 -5.914 8.053 1.00 0.00 H new ATOM 0 HA SER A 55 -14.641 -6.464 8.072 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.359 -3.556 7.537 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.439 -4.818 8.098 1.00 0.00 H new ATOM 0 HG SER A 55 -14.087 -4.264 9.589 1.00 0.00 H new ATOM 881 N GLY A 56 -13.864 -6.347 5.343 1.00 0.00 N ATOM 882 CA GLY A 56 -14.052 -6.618 3.925 1.00 0.00 C ATOM 883 C GLY A 56 -13.500 -5.526 3.026 1.00 0.00 C ATOM 884 O GLY A 56 -13.325 -5.734 1.826 1.00 0.00 O ATOM 0 H GLY A 56 -12.968 -6.657 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.569 -7.563 3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.116 -6.741 3.724 1.00 0.00 H new ATOM 888 N PHE A 57 -13.210 -4.367 3.609 1.00 0.00 N ATOM 889 CA PHE A 57 -12.657 -3.238 2.866 1.00 0.00 C ATOM 890 C PHE A 57 -12.076 -2.212 3.826 1.00 0.00 C ATOM 891 O PHE A 57 -12.599 -2.007 4.922 1.00 0.00 O ATOM 892 CB PHE A 57 -13.725 -2.567 1.990 1.00 0.00 C ATOM 893 CG PHE A 57 -14.202 -3.424 0.852 1.00 0.00 C ATOM 894 CD1 PHE A 57 -13.500 -3.467 -0.342 1.00 0.00 C ATOM 895 CD2 PHE A 57 -15.351 -4.187 0.978 1.00 0.00 C ATOM 896 CE1 PHE A 57 -13.936 -4.254 -1.389 1.00 0.00 C ATOM 897 CE2 PHE A 57 -15.792 -4.977 -0.067 1.00 0.00 C ATOM 898 CZ PHE A 57 -15.083 -5.012 -1.253 1.00 0.00 C ATOM 0 H PHE A 57 -13.350 -4.184 4.603 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.870 -3.623 2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.578 -2.300 2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.321 -1.638 1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.602 -2.878 -0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.908 -4.164 1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.380 -4.277 -2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.690 -5.567 0.043 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.424 -5.630 -2.070 1.00 0.00 H new ATOM 908 N ILE A 58 -10.996 -1.571 3.412 1.00 0.00 N ATOM 909 CA ILE A 58 -10.361 -0.549 4.228 1.00 0.00 C ATOM 910 C ILE A 58 -10.722 0.805 3.679 1.00 0.00 C ATOM 911 O ILE A 58 -10.797 0.995 2.469 1.00 0.00 O ATOM 912 CB ILE A 58 -8.826 -0.695 4.279 1.00 0.00 C ATOM 913 CG1 ILE A 58 -8.415 -2.165 4.179 1.00 0.00 C ATOM 914 CG2 ILE A 58 -8.289 -0.084 5.564 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.928 -2.365 4.001 1.00 0.00 C ATOM 0 H ILE A 58 -10.540 -1.740 2.515 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.725 -0.666 5.249 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.400 -0.165 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.738 -2.686 5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.938 -2.624 3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.205 -0.191 5.592 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.550 0.974 5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.727 -0.596 6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.709 -3.431 3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.602 -1.873 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.399 -1.936 4.852 1.00 0.00 H new ATOM 927 N GLU A 59 -10.915 1.751 4.569 1.00 0.00 N ATOM 928 CA GLU A 59 -11.325 3.075 4.174 1.00 0.00 C ATOM 929 C GLU A 59 -10.159 4.040 4.155 1.00 0.00 C ATOM 930 O GLU A 59 -9.532 4.310 5.173 1.00 0.00 O ATOM 931 CB GLU A 59 -12.386 3.561 5.139 1.00 0.00 C ATOM 932 CG GLU A 59 -13.800 3.168 4.740 1.00 0.00 C ATOM 933 CD GLU A 59 -14.030 1.672 4.805 1.00 0.00 C ATOM 934 OE1 GLU A 59 -13.533 0.954 3.912 1.00 0.00 O ATOM 935 OE2 GLU A 59 -14.710 1.216 5.749 1.00 0.00 O ATOM 0 H GLU A 59 -10.794 1.626 5.574 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.724 3.030 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.173 3.162 6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.327 4.647 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.511 3.670 5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.998 3.519 3.727 1.00 0.00 H new ATOM 942 N GLU A 60 -9.909 4.568 2.968 1.00 0.00 N ATOM 943 CA GLU A 60 -8.822 5.505 2.720 1.00 0.00 C ATOM 944 C GLU A 60 -8.646 6.504 3.859 1.00 0.00 C ATOM 945 O GLU A 60 -7.535 6.967 4.116 1.00 0.00 O ATOM 946 CB GLU A 60 -9.106 6.258 1.434 1.00 0.00 C ATOM 947 CG GLU A 60 -10.511 6.806 1.419 1.00 0.00 C ATOM 948 CD GLU A 60 -10.607 8.176 0.777 1.00 0.00 C ATOM 949 OE1 GLU A 60 -10.628 8.249 -0.469 1.00 0.00 O ATOM 950 OE2 GLU A 60 -10.665 9.178 1.523 1.00 0.00 O ATOM 0 H GLU A 60 -10.462 4.356 2.138 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.898 4.932 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.393 7.075 1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.963 5.593 0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.159 6.113 0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.883 6.863 2.442 1.00 0.00 H new ATOM 957 N ASP A 61 -9.738 6.841 4.534 1.00 0.00 N ATOM 958 CA ASP A 61 -9.677 7.800 5.628 1.00 0.00 C ATOM 959 C ASP A 61 -8.801 7.262 6.754 1.00 0.00 C ATOM 960 O ASP A 61 -7.883 7.938 7.221 1.00 0.00 O ATOM 961 CB ASP A 61 -11.080 8.104 6.152 1.00 0.00 C ATOM 962 CG ASP A 61 -11.980 8.699 5.084 1.00 0.00 C ATOM 963 OD1 ASP A 61 -12.534 7.923 4.277 1.00 0.00 O ATOM 964 OD2 ASP A 61 -12.129 9.939 5.056 1.00 0.00 O ATOM 0 H ASP A 61 -10.668 6.468 4.345 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.238 8.725 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.529 7.187 6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.010 8.796 6.991 1.00 0.00 H new ATOM 969 N GLU A 62 -9.095 6.039 7.181 1.00 0.00 N ATOM 970 CA GLU A 62 -8.323 5.382 8.231 1.00 0.00 C ATOM 971 C GLU A 62 -7.198 4.553 7.613 1.00 0.00 C ATOM 972 O GLU A 62 -6.253 4.157 8.297 1.00 0.00 O ATOM 973 CB GLU A 62 -9.229 4.489 9.082 1.00 0.00 C ATOM 974 CG GLU A 62 -9.842 3.333 8.312 1.00 0.00 C ATOM 975 CD GLU A 62 -10.742 2.469 9.174 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.225 1.545 9.835 1.00 0.00 O ATOM 977 OE2 GLU A 62 -11.967 2.717 9.187 1.00 0.00 O ATOM 0 H GLU A 62 -9.866 5.480 6.815 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.888 6.147 8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.652 4.092 9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.029 5.096 9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.416 3.725 7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.046 2.717 7.894 1.00 0.00 H new ATOM 984 N LEU A 63 -7.309 4.295 6.307 1.00 0.00 N ATOM 985 CA LEU A 63 -6.305 3.533 5.586 1.00 0.00 C ATOM 986 C LEU A 63 -4.936 4.139 5.832 1.00 0.00 C ATOM 987 O LEU A 63 -3.948 3.434 6.032 1.00 0.00 O ATOM 988 CB LEU A 63 -6.633 3.525 4.083 1.00 0.00 C ATOM 989 CG LEU A 63 -5.928 2.453 3.227 1.00 0.00 C ATOM 990 CD1 LEU A 63 -5.448 1.274 4.067 1.00 0.00 C ATOM 991 CD2 LEU A 63 -6.864 1.961 2.130 1.00 0.00 C ATOM 0 H LEU A 63 -8.091 4.608 5.732 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.302 2.503 5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.710 3.397 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.384 4.505 3.675 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.050 2.918 2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.958 0.544 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.742 1.626 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.301 0.808 4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.357 1.204 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.757 1.528 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.149 2.798 1.492 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.903 5.463 5.841 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.667 6.178 6.083 1.00 0.00 C ATOM 1005 C GLY A 64 -3.070 5.854 7.436 1.00 0.00 C ATOM 1006 O GLY A 64 -1.894 6.121 7.684 1.00 0.00 O ATOM 0 H GLY A 64 -5.716 6.059 5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.948 5.930 5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.852 7.250 6.017 1.00 0.00 H new ATOM 1010 N SER A 65 -3.883 5.278 8.312 1.00 0.00 N ATOM 1011 CA SER A 65 -3.437 4.910 9.644 1.00 0.00 C ATOM 1012 C SER A 65 -2.838 3.514 9.617 1.00 0.00 C ATOM 1013 O SER A 65 -1.688 3.301 10.005 1.00 0.00 O ATOM 1014 CB SER A 65 -4.623 4.945 10.608 1.00 0.00 C ATOM 1015 OG SER A 65 -5.264 6.209 10.579 1.00 0.00 O ATOM 0 H SER A 65 -4.860 5.056 8.120 1.00 0.00 H new ATOM 0 HA SER A 65 -2.679 5.618 9.979 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.336 4.165 10.341 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.280 4.730 11.620 1.00 0.00 H new ATOM 0 HG SER A 65 -6.020 6.207 11.202 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.635 2.571 9.138 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.222 1.179 9.042 1.00 0.00 C ATOM 1023 C ILE A 66 -2.079 0.990 8.031 1.00 0.00 C ATOM 1024 O ILE A 66 -1.407 -0.041 8.026 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.429 0.294 8.667 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -4.132 -1.182 8.913 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.830 0.528 7.222 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.495 -1.453 10.263 1.00 0.00 C ATOM 0 H ILE A 66 -4.583 2.748 8.806 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.844 0.875 10.018 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.264 0.575 9.309 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.060 -1.749 8.837 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.470 -1.547 8.128 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.683 -0.104 6.974 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.102 1.575 7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.994 0.282 6.568 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.311 -2.522 10.371 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.551 -0.914 10.335 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.165 -1.118 11.055 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.868 1.996 7.178 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.800 1.967 6.175 1.00 0.00 C ATOM 1042 C LEU A 67 0.561 1.830 6.836 1.00 0.00 C ATOM 1043 O LEU A 67 1.529 1.387 6.212 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.865 3.243 5.344 1.00 0.00 C ATOM 1045 CG LEU A 67 -1.396 3.058 3.924 1.00 0.00 C ATOM 1046 CD1 LEU A 67 -0.394 2.305 3.088 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -2.732 2.331 3.931 1.00 0.00 C ATOM 0 H LEU A 67 -2.428 2.848 7.163 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.940 1.102 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.497 3.965 5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.134 3.675 5.289 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.551 4.044 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.784 2.179 2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.541 2.864 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.213 1.326 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.087 2.213 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.610 1.349 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.458 2.909 4.502 1.00 0.00 H new ATOM 1059 N LYS A 68 0.631 2.207 8.105 1.00 0.00 N ATOM 1060 CA LYS A 68 1.869 2.117 8.856 1.00 0.00 C ATOM 1061 C LYS A 68 2.472 0.719 8.744 1.00 0.00 C ATOM 1062 O LYS A 68 3.656 0.525 9.009 1.00 0.00 O ATOM 1063 CB LYS A 68 1.609 2.486 10.311 1.00 0.00 C ATOM 1064 CG LYS A 68 1.022 3.880 10.466 1.00 0.00 C ATOM 1065 CD LYS A 68 0.245 4.019 11.764 1.00 0.00 C ATOM 1066 CE LYS A 68 1.163 3.953 12.974 1.00 0.00 C ATOM 1067 NZ LYS A 68 0.412 4.110 14.250 1.00 0.00 N ATOM 0 H LYS A 68 -0.158 2.578 8.634 1.00 0.00 H new ATOM 0 HA LYS A 68 2.591 2.819 8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.927 1.758 10.750 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.543 2.425 10.870 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.824 4.618 10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.365 4.094 9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.294 4.966 11.767 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.501 3.227 11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.690 2.999 12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.919 4.735 12.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.074 4.059 15.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.071 5.031 14.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.292 3.349 14.334 1.00 0.00 H new ATOM 1081 N GLY A 69 1.651 -0.266 8.365 1.00 0.00 N ATOM 1082 CA GLY A 69 2.153 -1.620 8.191 1.00 0.00 C ATOM 1083 C GLY A 69 3.460 -1.637 7.420 1.00 0.00 C ATOM 1084 O GLY A 69 4.431 -2.262 7.847 1.00 0.00 O ATOM 0 H GLY A 69 0.655 -0.149 8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.300 -2.082 9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.411 -2.219 7.663 1.00 0.00 H new ATOM 1088 N PHE A 70 3.483 -0.949 6.278 1.00 0.00 N ATOM 1089 CA PHE A 70 4.693 -0.864 5.478 1.00 0.00 C ATOM 1090 C PHE A 70 5.440 0.420 5.817 1.00 0.00 C ATOM 1091 O PHE A 70 6.648 0.421 6.052 1.00 0.00 O ATOM 1092 CB PHE A 70 4.387 -0.954 3.961 1.00 0.00 C ATOM 1093 CG PHE A 70 3.795 0.267 3.277 1.00 0.00 C ATOM 1094 CD1 PHE A 70 4.498 1.461 3.202 1.00 0.00 C ATOM 1095 CD2 PHE A 70 2.556 0.199 2.651 1.00 0.00 C ATOM 1096 CE1 PHE A 70 3.982 2.557 2.543 1.00 0.00 C ATOM 1097 CE2 PHE A 70 2.041 1.299 1.978 1.00 0.00 C ATOM 1098 CZ PHE A 70 2.755 2.476 1.929 1.00 0.00 C ATOM 0 H PHE A 70 2.682 -0.448 5.893 1.00 0.00 H new ATOM 0 HA PHE A 70 5.327 -1.717 5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.315 -1.207 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.701 -1.787 3.808 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.469 1.533 3.669 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.988 -0.719 2.688 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.542 3.480 2.509 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.079 1.232 1.492 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.352 3.333 1.410 1.00 0.00 H new ATOM 1108 N SER A 71 4.671 1.491 5.890 1.00 0.00 N ATOM 1109 CA SER A 71 5.156 2.835 6.183 1.00 0.00 C ATOM 1110 C SER A 71 5.627 3.033 7.622 1.00 0.00 C ATOM 1111 O SER A 71 5.983 4.147 8.000 1.00 0.00 O ATOM 1112 CB SER A 71 4.081 3.859 5.855 1.00 0.00 C ATOM 1113 OG SER A 71 2.812 3.443 6.327 1.00 0.00 O ATOM 0 H SER A 71 3.662 1.453 5.743 1.00 0.00 H new ATOM 0 HA SER A 71 6.033 2.977 5.552 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.341 4.818 6.302 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.038 4.011 4.777 1.00 0.00 H new ATOM 0 HG SER A 71 2.436 2.778 5.713 1.00 0.00 H new ATOM 1119 N SER A 72 5.614 1.985 8.441 1.00 0.00 N ATOM 1120 CA SER A 72 6.036 2.117 9.837 1.00 0.00 C ATOM 1121 C SER A 72 7.333 2.930 9.955 1.00 0.00 C ATOM 1122 O SER A 72 7.606 3.522 10.999 1.00 0.00 O ATOM 1123 CB SER A 72 6.234 0.737 10.465 1.00 0.00 C ATOM 1124 OG SER A 72 6.644 0.845 11.818 1.00 0.00 O ATOM 0 H SER A 72 5.321 1.046 8.170 1.00 0.00 H new ATOM 0 HA SER A 72 5.249 2.648 10.371 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.304 0.171 10.408 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.981 0.180 9.899 1.00 0.00 H new ATOM 0 HG SER A 72 6.762 -0.051 12.197 1.00 0.00 H new ATOM 1130 N ASP A 73 8.128 2.956 8.886 1.00 0.00 N ATOM 1131 CA ASP A 73 9.366 3.730 8.874 1.00 0.00 C ATOM 1132 C ASP A 73 9.403 4.686 7.674 1.00 0.00 C ATOM 1133 O ASP A 73 10.468 5.131 7.249 1.00 0.00 O ATOM 1134 CB ASP A 73 10.572 2.796 8.860 1.00 0.00 C ATOM 1135 CG ASP A 73 11.894 3.542 8.831 1.00 0.00 C ATOM 1136 OD1 ASP A 73 12.397 3.895 9.918 1.00 0.00 O ATOM 1137 OD2 ASP A 73 12.423 3.774 7.725 1.00 0.00 O ATOM 0 H ASP A 73 7.937 2.451 8.020 1.00 0.00 H new ATOM 0 HA ASP A 73 9.404 4.332 9.782 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.540 2.156 9.742 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.510 2.143 7.990 1.00 0.00 H new ATOM 1142 N ALA A 74 8.219 5.008 7.144 1.00 0.00 N ATOM 1143 CA ALA A 74 8.091 5.900 5.993 1.00 0.00 C ATOM 1144 C ALA A 74 6.992 6.951 6.240 1.00 0.00 C ATOM 1145 O ALA A 74 6.919 7.517 7.331 1.00 0.00 O ATOM 1146 CB ALA A 74 7.812 5.084 4.733 1.00 0.00 C ATOM 0 H ALA A 74 7.329 4.659 7.500 1.00 0.00 H new ATOM 0 HA ALA A 74 9.029 6.437 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.718 5.754 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.634 4.389 4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.885 4.525 4.859 1.00 0.00 H new ATOM 1152 N ARG A 75 6.136 7.220 5.240 1.00 0.00 N ATOM 1153 CA ARG A 75 5.069 8.207 5.404 1.00 0.00 C ATOM 1154 C ARG A 75 3.705 7.534 5.479 1.00 0.00 C ATOM 1155 O ARG A 75 3.549 6.373 5.110 1.00 0.00 O ATOM 1156 CB ARG A 75 5.083 9.214 4.259 1.00 0.00 C ATOM 1157 CG ARG A 75 6.273 10.155 4.298 1.00 0.00 C ATOM 1158 CD ARG A 75 6.180 11.115 5.474 1.00 0.00 C ATOM 1159 NE ARG A 75 5.017 11.992 5.375 1.00 0.00 N ATOM 1160 CZ ARG A 75 4.837 13.066 6.135 1.00 0.00 C ATOM 1161 NH1 ARG A 75 5.742 13.399 7.045 1.00 0.00 N ATOM 1162 NH2 ARG A 75 3.752 13.812 5.984 1.00 0.00 N ATOM 0 H ARG A 75 6.165 6.772 4.324 1.00 0.00 H new ATOM 0 HA ARG A 75 5.250 8.733 6.342 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.086 8.675 3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.165 9.800 4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.194 9.577 4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.323 10.720 3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.127 10.546 6.402 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.086 11.719 5.521 1.00 0.00 H new ATOM 0 HE ARG A 75 4.302 11.767 4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.580 12.830 7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.600 14.225 7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.054 13.561 5.284 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.615 14.637 6.568 1.00 0.00 H new ATOM 1176 N ASP A 76 2.708 8.288 5.923 1.00 0.00 N ATOM 1177 CA ASP A 76 1.360 7.757 6.076 1.00 0.00 C ATOM 1178 C ASP A 76 0.405 8.295 5.016 1.00 0.00 C ATOM 1179 O ASP A 76 0.196 9.502 4.894 1.00 0.00 O ATOM 1180 CB ASP A 76 0.819 8.094 7.466 1.00 0.00 C ATOM 1181 CG ASP A 76 0.734 9.587 7.709 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -0.282 10.196 7.311 1.00 0.00 O ATOM 1183 OD2 ASP A 76 1.684 10.149 8.296 1.00 0.00 O ATOM 0 H ASP A 76 2.807 9.269 6.184 1.00 0.00 H new ATOM 0 HA ASP A 76 1.423 6.676 5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.171 7.653 7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.461 7.642 8.222 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.174 7.369 4.252 1.00 0.00 N ATOM 1189 CA LEU A 77 -1.157 7.683 3.212 1.00 0.00 C ATOM 1190 C LEU A 77 -2.123 8.758 3.727 1.00 0.00 C ATOM 1191 O LEU A 77 -3.100 8.473 4.411 1.00 0.00 O ATOM 1192 CB LEU A 77 -1.833 6.342 2.847 1.00 0.00 C ATOM 1193 CG LEU A 77 -3.182 6.298 2.101 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -4.341 6.122 3.063 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -3.411 7.482 1.192 1.00 0.00 C ATOM 0 H LEU A 77 0.026 6.372 4.337 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.716 8.108 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.119 5.781 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.967 5.791 3.778 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.130 5.423 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.277 6.095 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.219 5.188 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.361 6.956 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.379 7.382 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.395 8.400 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.624 7.520 0.438 1.00 0.00 H new ATOM 1207 N SER A 78 -1.793 10.011 3.417 1.00 0.00 N ATOM 1208 CA SER A 78 -2.593 11.157 3.841 1.00 0.00 C ATOM 1209 C SER A 78 -3.523 11.618 2.723 1.00 0.00 C ATOM 1210 O SER A 78 -3.748 10.891 1.762 1.00 0.00 O ATOM 1211 CB SER A 78 -1.674 12.305 4.267 1.00 0.00 C ATOM 1212 OG SER A 78 -0.711 11.864 5.210 1.00 0.00 O ATOM 0 H SER A 78 -0.969 10.258 2.869 1.00 0.00 H new ATOM 0 HA SER A 78 -3.206 10.853 4.689 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.170 12.715 3.392 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.269 13.110 4.699 1.00 0.00 H new ATOM 0 HG SER A 78 -0.187 11.131 4.824 1.00 0.00 H new ATOM 1218 N ALA A 79 -4.059 12.826 2.858 1.00 0.00 N ATOM 1219 CA ALA A 79 -4.974 13.379 1.862 1.00 0.00 C ATOM 1220 C ALA A 79 -4.440 13.221 0.440 1.00 0.00 C ATOM 1221 O ALA A 79 -5.135 12.712 -0.439 1.00 0.00 O ATOM 1222 CB ALA A 79 -5.219 14.848 2.151 1.00 0.00 C ATOM 0 H ALA A 79 -3.876 13.444 3.649 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.908 12.821 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.902 15.256 1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.658 14.955 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.274 15.389 2.112 1.00 0.00 H new ATOM 1228 N LYS A 80 -3.205 13.658 0.220 1.00 0.00 N ATOM 1229 CA LYS A 80 -2.592 13.568 -1.106 1.00 0.00 C ATOM 1230 C LYS A 80 -2.677 12.146 -1.653 1.00 0.00 C ATOM 1231 O LYS A 80 -3.178 11.922 -2.755 1.00 0.00 O ATOM 1232 CB LYS A 80 -1.129 14.009 -1.048 1.00 0.00 C ATOM 1233 CG LYS A 80 -0.940 15.441 -0.576 1.00 0.00 C ATOM 1234 CD LYS A 80 0.526 15.845 -0.596 1.00 0.00 C ATOM 1235 CE LYS A 80 0.720 17.262 -0.080 1.00 0.00 C ATOM 1236 NZ LYS A 80 -0.030 18.257 -0.895 1.00 0.00 N ATOM 0 H LYS A 80 -2.610 14.076 0.935 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.142 14.232 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.584 13.341 -0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.687 13.901 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.513 16.114 -1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.334 15.547 0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.104 15.152 0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.911 15.771 -1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.390 17.319 0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.781 17.510 -0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.295 19.216 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.137 18.075 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.047 18.176 -0.692 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.182 11.193 -0.875 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.200 9.796 -1.260 1.00 0.00 C ATOM 1252 C GLU A 81 -3.615 9.230 -1.184 1.00 0.00 C ATOM 1253 O GLU A 81 -3.928 8.240 -1.839 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.234 9.008 -0.376 1.00 0.00 C ATOM 1255 CG GLU A 81 0.157 9.617 -0.325 1.00 0.00 C ATOM 1256 CD GLU A 81 0.389 10.452 0.917 1.00 0.00 C ATOM 1257 OE1 GLU A 81 0.754 9.872 1.962 1.00 0.00 O ATOM 1258 OE2 GLU A 81 0.206 11.685 0.847 1.00 0.00 O ATOM 0 H GLU A 81 -1.759 11.370 0.036 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.872 9.706 -2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.638 8.954 0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.163 7.985 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.899 8.820 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.309 10.238 -1.208 1.00 0.00 H new ATOM 1265 N THR A 82 -4.468 9.830 -0.365 1.00 0.00 N ATOM 1266 CA THR A 82 -5.843 9.372 -0.285 1.00 0.00 C ATOM 1267 C THR A 82 -6.480 9.576 -1.647 1.00 0.00 C ATOM 1268 O THR A 82 -7.092 8.669 -2.214 1.00 0.00 O ATOM 1269 CB THR A 82 -6.637 10.153 0.787 1.00 0.00 C ATOM 1270 OG1 THR A 82 -6.145 9.828 2.093 1.00 0.00 O ATOM 1271 CG2 THR A 82 -8.128 9.848 0.712 1.00 0.00 C ATOM 0 H THR A 82 -4.237 10.618 0.240 1.00 0.00 H new ATOM 0 HA THR A 82 -5.858 8.320 0.000 1.00 0.00 H new ATOM 0 HB THR A 82 -6.498 11.217 0.594 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.165 9.848 2.088 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.654 10.415 1.480 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.508 10.129 -0.270 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.290 8.782 0.872 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.321 10.787 -2.157 1.00 0.00 N ATOM 1280 CA LYS A 83 -6.815 11.143 -3.472 1.00 0.00 C ATOM 1281 C LYS A 83 -5.914 10.581 -4.570 1.00 0.00 C ATOM 1282 O LYS A 83 -6.382 10.241 -5.654 1.00 0.00 O ATOM 1283 CB LYS A 83 -6.922 12.662 -3.603 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.077 13.251 -2.809 1.00 0.00 C ATOM 1285 CD LYS A 83 -9.415 12.885 -3.427 1.00 0.00 C ATOM 1286 CE LYS A 83 -10.473 12.649 -2.363 1.00 0.00 C ATOM 1287 NZ LYS A 83 -11.837 12.547 -2.948 1.00 0.00 N ATOM 0 H LYS A 83 -5.847 11.547 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.806 10.705 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.990 13.116 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.042 12.922 -4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.037 12.888 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.977 14.336 -2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.740 13.684 -4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.303 11.988 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.242 11.733 -1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.448 13.464 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.529 12.386 -2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.068 13.430 -3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.868 11.753 -3.619 1.00 0.00 H new ATOM 1301 N THR A 84 -4.609 10.501 -4.287 1.00 0.00 N ATOM 1302 CA THR A 84 -3.650 10.033 -5.278 1.00 0.00 C ATOM 1303 C THR A 84 -3.462 8.516 -5.287 1.00 0.00 C ATOM 1304 O THR A 84 -3.665 7.863 -6.310 1.00 0.00 O ATOM 1305 CB THR A 84 -2.274 10.694 -5.067 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.410 12.119 -5.067 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.301 10.275 -6.158 1.00 0.00 C ATOM 0 H THR A 84 -4.201 10.753 -3.387 1.00 0.00 H new ATOM 0 HA THR A 84 -4.074 10.320 -6.240 1.00 0.00 H new ATOM 0 HB THR A 84 -1.882 10.366 -4.104 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.898 12.401 -4.266 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.336 10.754 -5.989 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.177 9.192 -6.139 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.691 10.578 -7.130 1.00 0.00 H new ATOM 1315 N LEU A 85 -3.076 7.965 -4.146 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.820 6.531 -4.038 1.00 0.00 C ATOM 1317 C LEU A 85 -4.082 5.684 -3.868 1.00 0.00 C ATOM 1318 O LEU A 85 -4.311 4.760 -4.646 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.872 6.257 -2.873 1.00 0.00 C ATOM 1320 CG LEU A 85 -1.557 4.781 -2.626 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -0.564 4.265 -3.658 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -1.025 4.578 -1.215 1.00 0.00 C ATOM 0 H LEU A 85 -2.932 8.486 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.370 6.237 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.937 6.787 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.306 6.677 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.480 4.210 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.353 3.213 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.988 4.373 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.360 4.839 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.806 3.522 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.114 5.161 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.773 4.905 -0.493 1.00 0.00 H new ATOM 1334 N MET A 86 -4.929 6.009 -2.889 1.00 0.00 N ATOM 1335 CA MET A 86 -6.128 5.191 -2.671 1.00 0.00 C ATOM 1336 C MET A 86 -7.039 5.244 -3.883 1.00 0.00 C ATOM 1337 O MET A 86 -7.404 4.213 -4.441 1.00 0.00 O ATOM 1338 CB MET A 86 -6.912 5.628 -1.429 1.00 0.00 C ATOM 1339 CG MET A 86 -6.051 5.909 -0.206 1.00 0.00 C ATOM 1340 SD MET A 86 -5.404 4.410 0.562 1.00 0.00 S ATOM 1341 CE MET A 86 -4.193 3.888 -0.651 1.00 0.00 C ATOM 0 H MET A 86 -4.817 6.801 -2.256 1.00 0.00 H new ATOM 0 HA MET A 86 -5.784 4.169 -2.512 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.481 6.526 -1.671 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.634 4.851 -1.179 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.219 6.551 -0.495 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.640 6.461 0.527 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.400 3.327 -0.156 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.674 3.255 -1.396 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.767 4.764 -1.140 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.374 6.450 -4.304 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.231 6.646 -5.460 1.00 0.00 C ATOM 1353 C ALA A 87 -7.636 5.967 -6.689 1.00 0.00 C ATOM 1354 O ALA A 87 -8.352 5.629 -7.631 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.457 8.130 -5.696 1.00 0.00 C ATOM 0 H ALA A 87 -7.063 7.314 -3.860 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.199 6.184 -5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.101 8.266 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.933 8.570 -4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.500 8.620 -5.873 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.314 5.768 -6.676 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.631 5.132 -7.790 1.00 0.00 C ATOM 1363 C ALA A 88 -5.633 3.618 -7.622 1.00 0.00 C ATOM 1364 O ALA A 88 -6.142 2.889 -8.473 1.00 0.00 O ATOM 1365 CB ALA A 88 -4.209 5.654 -7.902 1.00 0.00 C ATOM 0 H ALA A 88 -5.703 6.040 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.163 5.375 -8.710 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.709 5.169 -8.740 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.229 6.732 -8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.668 5.436 -6.981 1.00 0.00 H new ATOM 1371 N GLY A 89 -5.062 3.150 -6.513 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.023 1.723 -6.241 1.00 0.00 C ATOM 1373 C GLY A 89 -6.375 1.072 -6.461 1.00 0.00 C ATOM 1374 O GLY A 89 -6.473 -0.013 -7.033 1.00 0.00 O ATOM 0 H GLY A 89 -4.626 3.734 -5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.282 1.250 -6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.703 1.557 -5.212 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.422 1.759 -6.018 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.795 1.294 -6.182 1.00 0.00 C ATOM 1380 C ASP A 90 -9.384 1.873 -7.465 1.00 0.00 C ATOM 1381 O ASP A 90 -10.532 2.308 -7.489 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.668 1.635 -4.971 1.00 0.00 C ATOM 1383 CG ASP A 90 -9.794 3.124 -4.725 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.123 3.860 -5.678 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -9.570 3.556 -3.574 1.00 0.00 O ATOM 0 H ASP A 90 -7.343 2.654 -5.535 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.777 0.207 -6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.662 1.212 -5.118 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.248 1.161 -4.084 1.00 0.00 H new ATOM 1390 N LYS A 91 -8.543 1.915 -8.505 1.00 0.00 N ATOM 1391 CA LYS A 91 -8.883 2.464 -9.819 1.00 0.00 C ATOM 1392 C LYS A 91 -10.355 2.310 -10.198 1.00 0.00 C ATOM 1393 O LYS A 91 -10.864 3.105 -10.990 1.00 0.00 O ATOM 1394 CB LYS A 91 -7.964 1.834 -10.869 1.00 0.00 C ATOM 1395 CG LYS A 91 -8.198 0.357 -11.105 1.00 0.00 C ATOM 1396 CD LYS A 91 -9.259 0.134 -12.158 1.00 0.00 C ATOM 1397 CE LYS A 91 -9.804 -1.284 -12.113 1.00 0.00 C ATOM 1398 NZ LYS A 91 -10.834 -1.519 -13.165 1.00 0.00 N ATOM 0 H LYS A 91 -7.588 1.561 -8.454 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.724 3.541 -9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.094 2.365 -11.812 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -6.929 1.980 -10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.267 -0.116 -11.417 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.501 -0.120 -10.173 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.074 0.842 -12.010 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.840 0.332 -13.145 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.985 -1.992 -12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.238 -1.475 -11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.180 -2.498 -13.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.628 -0.861 -13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.414 -1.362 -14.103 1.00 0.00 H new ATOM 1412 N ASP A 92 -11.056 1.317 -9.661 1.00 0.00 N ATOM 1413 CA ASP A 92 -12.475 1.179 -9.961 1.00 0.00 C ATOM 1414 C ASP A 92 -13.197 2.488 -9.620 1.00 0.00 C ATOM 1415 O ASP A 92 -14.276 2.771 -10.139 1.00 0.00 O ATOM 1416 CB ASP A 92 -13.081 0.022 -9.164 1.00 0.00 C ATOM 1417 CG ASP A 92 -12.929 0.214 -7.669 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -13.271 1.309 -7.173 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -12.465 -0.728 -6.993 1.00 0.00 O ATOM 0 H ASP A 92 -10.676 0.611 -9.030 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.595 0.964 -11.023 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.139 -0.072 -9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.601 -0.911 -9.459 1.00 0.00 H new ATOM 1424 N GLY A 93 -12.579 3.282 -8.736 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.132 4.570 -8.357 1.00 0.00 C ATOM 1426 C GLY A 93 -14.063 4.516 -7.164 1.00 0.00 C ATOM 1427 O GLY A 93 -15.156 5.079 -7.201 1.00 0.00 O ATOM 0 H GLY A 93 -11.699 3.048 -8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.313 5.254 -8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.672 4.986 -9.207 1.00 0.00 H new ATOM 1431 N ASP A 94 -13.638 3.841 -6.102 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.450 3.752 -4.897 1.00 0.00 C ATOM 1433 C ASP A 94 -13.789 4.484 -3.728 1.00 0.00 C ATOM 1434 O ASP A 94 -14.409 4.682 -2.684 1.00 0.00 O ATOM 1435 CB ASP A 94 -14.694 2.289 -4.519 1.00 0.00 C ATOM 1436 CG ASP A 94 -15.571 1.571 -5.524 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -16.641 2.113 -5.874 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -15.191 0.462 -5.959 1.00 0.00 O ATOM 0 H ASP A 94 -12.744 3.352 -6.052 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.406 4.231 -5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.737 1.772 -4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.161 2.244 -3.535 1.00 0.00 H new ATOM 1443 N GLY A 95 -12.524 4.890 -3.904 1.00 0.00 N ATOM 1444 CA GLY A 95 -11.822 5.598 -2.844 1.00 0.00 C ATOM 1445 C GLY A 95 -11.268 4.686 -1.762 1.00 0.00 C ATOM 1446 O GLY A 95 -10.472 5.114 -0.930 1.00 0.00 O ATOM 0 H GLY A 95 -11.982 4.741 -4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.002 6.168 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.502 6.317 -2.387 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.683 3.433 -1.784 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.258 2.454 -0.792 1.00 0.00 C ATOM 1452 C LYS A 96 -10.552 1.276 -1.453 1.00 0.00 C ATOM 1453 O LYS A 96 -10.880 0.895 -2.576 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.478 1.957 -0.005 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.444 3.073 0.355 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.533 2.596 1.299 1.00 0.00 C ATOM 1457 CE LYS A 96 -15.426 3.747 1.733 1.00 0.00 C ATOM 1458 NZ LYS A 96 -16.436 3.320 2.738 1.00 0.00 N ATOM 0 H LYS A 96 -12.323 3.063 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.554 2.934 -0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.003 1.205 -0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.140 1.467 0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.895 3.893 0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.898 3.467 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.134 1.831 0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.081 2.132 2.176 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.812 4.544 2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.934 4.160 0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.379 3.643 2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.434 2.283 2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.203 3.735 3.663 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.582 0.702 -0.749 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.841 -0.436 -1.271 1.00 0.00 C ATOM 1474 C ILE A 97 -9.292 -1.728 -0.597 1.00 0.00 C ATOM 1475 O ILE A 97 -9.257 -1.853 0.626 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.308 -0.264 -1.090 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -6.789 0.856 -1.997 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.565 -1.570 -1.379 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.276 0.950 -2.042 1.00 0.00 C ATOM 0 H ILE A 97 -9.293 1.006 0.181 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.053 -0.490 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.120 0.006 -0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.165 0.697 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.194 1.808 -1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.494 -1.417 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.910 -2.344 -0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.760 -1.880 -2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.982 1.765 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.893 1.140 -1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.864 0.012 -2.416 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.717 -2.679 -1.413 1.00 0.00 N ATOM 1492 CA GLY A 98 -10.143 -3.961 -0.899 1.00 0.00 C ATOM 1493 C GLY A 98 -9.208 -5.059 -1.347 1.00 0.00 C ATOM 1494 O GLY A 98 -8.456 -4.884 -2.307 1.00 0.00 O ATOM 0 H GLY A 98 -9.774 -2.584 -2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.176 -3.928 0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.155 -4.177 -1.242 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.241 -6.197 -0.665 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.373 -7.315 -1.023 1.00 0.00 C ATOM 1500 C VAL A 99 -8.419 -7.585 -2.527 1.00 0.00 C ATOM 1501 O VAL A 99 -7.456 -8.082 -3.108 1.00 0.00 O ATOM 1502 CB VAL A 99 -8.760 -8.599 -0.266 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -10.167 -9.039 -0.637 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -7.754 -9.705 -0.549 1.00 0.00 C ATOM 0 H VAL A 99 -9.853 -6.371 0.132 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.360 -7.032 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.745 -8.387 0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.420 -9.948 -0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.875 -8.251 -0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.217 -9.234 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.041 -10.606 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.736 -9.915 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.763 -9.387 -0.225 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.544 -7.244 -3.151 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.714 -7.451 -4.589 1.00 0.00 C ATOM 1516 C GLU A 100 -8.886 -6.444 -5.374 1.00 0.00 C ATOM 1517 O GLU A 100 -8.086 -6.807 -6.235 1.00 0.00 O ATOM 1518 CB GLU A 100 -11.182 -7.321 -5.025 1.00 0.00 C ATOM 1519 CG GLU A 100 -12.187 -7.342 -3.897 1.00 0.00 C ATOM 1520 CD GLU A 100 -12.115 -8.607 -3.064 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -11.694 -9.650 -3.607 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -12.484 -8.555 -1.873 1.00 0.00 O ATOM 0 H GLU A 100 -10.349 -6.825 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.377 -8.466 -4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.300 -6.390 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.414 -8.133 -5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.020 -6.479 -3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.191 -7.242 -4.310 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.095 -5.169 -5.058 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.393 -4.082 -5.730 1.00 0.00 C ATOM 1531 C GLU A 101 -6.907 -4.067 -5.382 1.00 0.00 C ATOM 1532 O GLU A 101 -6.093 -3.563 -6.154 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.037 -2.740 -5.381 1.00 0.00 C ATOM 1534 CG GLU A 101 -9.601 -2.015 -6.595 1.00 0.00 C ATOM 1535 CD GLU A 101 -10.548 -2.883 -7.404 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -11.714 -3.037 -6.988 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -10.118 -3.411 -8.451 1.00 0.00 O ATOM 0 H GLU A 101 -9.748 -4.863 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.476 -4.248 -6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.837 -2.904 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.297 -2.103 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.127 -1.118 -6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.780 -1.688 -7.232 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.548 -4.630 -4.230 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.149 -4.656 -3.812 1.00 0.00 C ATOM 1546 C PHE A 102 -4.265 -5.224 -4.917 1.00 0.00 C ATOM 1547 O PHE A 102 -3.059 -4.982 -4.945 1.00 0.00 O ATOM 1548 CB PHE A 102 -4.959 -5.442 -2.519 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.793 -4.945 -1.721 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -3.903 -3.817 -0.924 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -2.586 -5.601 -1.781 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -2.819 -3.357 -0.200 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.496 -5.152 -1.063 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.611 -4.026 -0.269 1.00 0.00 C ATOM 0 H PHE A 102 -7.197 -5.069 -3.577 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.849 -3.626 -3.619 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.865 -5.373 -1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.813 -6.496 -2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -4.845 -3.292 -0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.489 -6.481 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.916 -2.477 0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.555 -5.679 -1.121 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.761 -3.671 0.295 1.00 0.00 H new ATOM 1564 N SER A 103 -4.852 -6.009 -5.803 1.00 0.00 N ATOM 1565 CA SER A 103 -4.108 -6.547 -6.929 1.00 0.00 C ATOM 1566 C SER A 103 -3.968 -5.462 -7.989 1.00 0.00 C ATOM 1567 O SER A 103 -2.910 -5.287 -8.595 1.00 0.00 O ATOM 1568 CB SER A 103 -4.815 -7.769 -7.517 1.00 0.00 C ATOM 1569 OG SER A 103 -6.147 -7.456 -7.888 1.00 0.00 O ATOM 0 H SER A 103 -5.833 -6.287 -5.766 1.00 0.00 H new ATOM 0 HA SER A 103 -3.122 -6.864 -6.588 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.266 -8.127 -8.388 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.818 -8.578 -6.787 1.00 0.00 H new ATOM 0 HG SER A 103 -6.714 -7.439 -7.089 1.00 0.00 H new ATOM 1575 N THR A 104 -5.054 -4.715 -8.176 1.00 0.00 N ATOM 1576 CA THR A 104 -5.097 -3.639 -9.157 1.00 0.00 C ATOM 1577 C THR A 104 -4.098 -2.530 -8.826 1.00 0.00 C ATOM 1578 O THR A 104 -3.628 -1.830 -9.722 1.00 0.00 O ATOM 1579 CB THR A 104 -6.512 -3.035 -9.255 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.494 -4.076 -9.182 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.685 -2.268 -10.558 1.00 0.00 C ATOM 0 H THR A 104 -5.922 -4.839 -7.655 1.00 0.00 H new ATOM 0 HA THR A 104 -4.824 -4.078 -10.116 1.00 0.00 H new ATOM 0 HB THR A 104 -6.646 -2.345 -8.422 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.356 -3.694 -8.915 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.691 -1.851 -10.604 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.955 -1.460 -10.604 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.533 -2.943 -11.400 1.00 0.00 H new ATOM 1589 N LEU A 105 -3.767 -2.369 -7.542 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.817 -1.330 -7.147 1.00 0.00 C ATOM 1591 C LEU A 105 -1.473 -1.595 -7.811 1.00 0.00 C ATOM 1592 O LEU A 105 -0.757 -0.666 -8.183 1.00 0.00 O ATOM 1593 CB LEU A 105 -2.615 -1.239 -5.625 1.00 0.00 C ATOM 1594 CG LEU A 105 -3.659 -1.910 -4.756 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -3.290 -1.768 -3.288 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -5.035 -1.332 -5.023 1.00 0.00 C ATOM 0 H LEU A 105 -4.134 -2.932 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.237 -0.379 -7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.644 -1.672 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.571 -0.185 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.687 -2.971 -5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.048 -2.254 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.322 -2.237 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.235 -0.711 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.768 -1.829 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.030 -0.264 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.298 -1.486 -6.070 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.136 -2.876 -7.958 1.00 0.00 N ATOM 1609 CA VAL A 106 0.118 -3.262 -8.590 1.00 0.00 C ATOM 1610 C VAL A 106 0.121 -2.804 -10.039 1.00 0.00 C ATOM 1611 O VAL A 106 1.164 -2.471 -10.601 1.00 0.00 O ATOM 1612 CB VAL A 106 0.336 -4.785 -8.537 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.647 -5.159 -9.211 1.00 0.00 C ATOM 1614 CG2 VAL A 106 0.309 -5.280 -7.100 1.00 0.00 C ATOM 0 H VAL A 106 -1.713 -3.658 -7.649 1.00 0.00 H new ATOM 0 HA VAL A 106 0.929 -2.784 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.477 -5.268 -9.078 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.785 -6.239 -9.164 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.624 -4.841 -10.253 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.473 -4.665 -8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.465 -6.359 -7.084 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.100 -4.790 -6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.657 -5.046 -6.653 1.00 0.00 H new ATOM 1624 N ALA A 107 -1.067 -2.793 -10.632 1.00 0.00 N ATOM 1625 CA ALA A 107 -1.234 -2.360 -12.009 1.00 0.00 C ATOM 1626 C ALA A 107 -1.255 -0.836 -12.084 1.00 0.00 C ATOM 1627 O ALA A 107 -0.940 -0.250 -13.119 1.00 0.00 O ATOM 1628 CB ALA A 107 -2.512 -2.947 -12.588 1.00 0.00 C ATOM 0 H ALA A 107 -1.932 -3.081 -10.175 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.391 -2.719 -12.600 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.629 -2.617 -13.620 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.458 -4.035 -12.559 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.366 -2.610 -12.000 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.634 -0.203 -10.974 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.686 1.251 -10.899 1.00 0.00 C ATOM 1636 C GLU A 108 -0.285 1.838 -10.867 1.00 0.00 C ATOM 1637 O GLU A 108 0.178 2.436 -11.839 1.00 0.00 O ATOM 1638 CB GLU A 108 -2.441 1.694 -9.651 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.942 1.568 -9.794 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.542 2.671 -10.644 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.648 3.812 -10.148 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.902 2.395 -11.807 1.00 0.00 O ATOM 0 H GLU A 108 -1.909 -0.678 -10.115 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.206 1.612 -11.786 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.111 1.096 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.188 2.731 -9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.181 0.602 -10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.400 1.587 -8.805 1.00 0.00 H new ATOM 1649 N SER A 109 0.384 1.656 -9.734 1.00 0.00 N ATOM 1650 CA SER A 109 1.727 2.155 -9.545 1.00 0.00 C ATOM 1651 C SER A 109 2.636 1.714 -10.687 1.00 0.00 C ATOM 1652 O SER A 109 2.778 2.485 -11.658 1.00 0.00 O ATOM 1653 CB SER A 109 2.266 1.650 -8.210 1.00 0.00 C ATOM 1654 OG SER A 109 1.268 0.953 -7.485 1.00 0.00 O ATOM 1655 OXT SER A 109 3.195 0.601 -10.600 1.00 0.00 O ATOM 0 H SER A 109 0.006 1.159 -8.927 1.00 0.00 H new ATOM 0 HA SER A 109 1.704 3.245 -9.540 1.00 0.00 H new ATOM 0 HB2 SER A 109 3.118 0.993 -8.384 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.628 2.492 -7.619 1.00 0.00 H new ATOM 0 HG SER A 109 1.692 0.382 -6.811 1.00 0.00 H new